91
Coordinates from ORCA-job orca E -6199.751105400987
  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
  H      -2.197179      5.000115      3.845587
91
Coordinates from ORCA-job orca E -6199.778733759880
  N      -2.565996      4.441756      7.331017
  Mo     -2.220032      2.882103      6.153379
  N      -2.449726      1.488001      7.536154
  C      -1.373651      1.305856      8.497026
  C      -0.646745      2.625410      8.742067
  N      -0.357802      3.291929      7.452417
  C      -0.227042      4.750297      7.629925
  C      -1.608060      5.325059      7.928327
  C       0.855890      2.745538      6.812967
  C       0.562797      2.683044      5.313843
  N      -0.704124      2.006786      5.187227
  H      -1.689332      6.345827      7.509013
  H      -1.785584      5.413468      9.018179
  H       0.149831      5.169528      6.690470
  H       0.487337      4.980155      8.434327
  H       1.374876      2.167105      4.784315
  H       0.489929      3.706416      4.904071
  H       1.022898      1.722954      7.171341
  H       1.739292      3.355978      7.043889
  H      -1.753885      0.940060      9.463395
  H      -0.659428      0.544573      8.124642
  H      -1.304986      3.274600      9.328734
  H       0.282338      2.462555      9.307971
  C      -3.948418      4.784609      7.537656
  C      -4.715778      3.997242      6.522912
  C      -5.950681      4.251146      6.076354
  C      -6.602727      3.564104      4.975379
  N      -5.810996      2.969407      4.069626
  C      -6.400103      2.400374      3.005402
  N      -7.678318      2.395154      2.699088
  C      -8.518440      2.965708      3.609325
  C      -9.905644      2.967822      3.352033
  C     -10.776587      3.530522      4.259197
  C     -10.293579      4.105125      5.449847
  C      -8.943132      4.124320      5.721943
  C      -8.021030      3.576432      4.802874
  C      -0.654141      0.696436      4.545494
  C      -1.445951     -0.380370      5.227005
  C      -2.396525     -1.169037      4.683873
  C      -2.999220     -1.089271      3.361225
  N      -2.906398      0.062474      2.678219
  C      -3.584304      0.171311      1.525201
  N      -4.377741     -0.719441      0.972197
  C      -4.458399     -1.927692      1.600574
  C      -5.262633     -2.936580      1.028329
  C      -5.334399     -4.178935      1.617817
  C      -4.601215     -4.455106      2.788121
  C      -3.819765     -3.483807      3.375970
  C      -3.741402     -2.189336      2.813160
  C      -3.558721      0.551741      7.742237
  C      -4.778932      1.209990      8.319736
  C      -6.035408      1.193626      7.835603
  C      -6.538741      0.614899      6.599558
  N      -5.666588      0.235809      5.655176
  C      -6.153640     -0.189637      4.480065
  N      -7.410839     -0.377318      4.147305
  C      -8.336828     -0.040351      5.090816
  C      -9.703047     -0.229099      4.793471
  C     -10.665174      0.100862      5.721075
  C     -10.292466      0.620330      6.975018
  C      -8.965441      0.811098      7.291290
  C      -7.949159      0.484818      6.365163
  H      -4.124395      5.869998      7.405366
  H      -4.274280      4.530367      8.571848
  H      -4.141383      3.117731      6.168411
  H      -6.514110      5.057620      6.547606
  H      -5.727332      1.910253      2.297115
  H     -10.251282      2.508088      2.429755
  H     -11.845450      3.527817      4.058077
  H     -10.993274      4.536824      6.161857
  H      -8.584592      4.562650      6.650849
  H       0.394319      0.348028      4.535675
  H      -0.983122      0.779423      3.498390
  H      -1.129608     -0.605876      6.245845
  H      -2.780919     -1.976944      5.305261
  H      -3.475191      1.127589      1.005132
  H      -5.802657     -2.697400      0.115932
  H      -5.951067     -4.957020      1.173768
  H      -4.649464     -5.448323      3.229691
  H      -3.247213     -3.725815      4.267696
  H      -3.251795     -0.237907      8.450179
  H      -3.823737      0.066789      6.798709
  H      -4.608827      1.733473      9.263326
  H      -6.789643      1.702560      8.432897
  H      -5.412070     -0.414143      3.715289
  H      -9.954860     -0.633163      3.816220
  H     -11.717687     -0.040748      5.487230
  H     -11.060083      0.872453      7.702735
  H      -8.706787      1.201616      8.272336
  N      -2.190734      4.258244      4.629520
  H      -2.214909      4.949395      3.874823
91
Coordinates from ORCA-job orca E -6199.800642909390
  N      -2.548692      4.454966      7.330575
  Mo     -2.202962      2.887471      6.151243
  N      -2.445611      1.483795      7.543861
  C      -1.362199      1.315885      8.510435
  C      -0.642100      2.636793      8.753018
  N      -0.347083      3.306536      7.454787
  C      -0.217290      4.772462      7.630671
  C      -1.595945      5.339581      7.929684
  C       0.873870      2.755279      6.813191
  C       0.583885      2.686939      5.320748
  N      -0.682948      2.007981      5.203042
  H      -1.678626      6.361293      7.507156
  H      -1.776185      5.430415      9.021208
  H       0.163005      5.187816      6.688581
  H       0.500016      5.000450      8.435050
  H       1.395037      2.163897      4.792942
  H       0.509956      3.709512      4.898907
  H       1.038796      1.732923      7.179960
  H       1.756040      3.369734      7.050677
  H      -1.743773      0.952546      9.478377
  H      -0.644656      0.553144      8.142373
  H      -1.301388      3.291556      9.335710
  H       0.289867      2.480581      9.319908
  C      -3.943444      4.789817      7.515403
  C      -4.719109      4.003536      6.499590
  C      -5.947463      4.246482      6.039844
  C      -6.588918      3.542695      4.930081
  N      -5.789525      2.968490      4.027827
  C      -6.376077      2.389853      2.950697
  N      -7.666236      2.358879      2.653184
  C      -8.508113      2.909335      3.575040
  C      -9.904750      2.887107      3.332509
  C     -10.776882      3.434058      4.252292
  C     -10.289990      4.020351      5.446376
  C      -8.934136      4.064468      5.704274
  C      -8.010339      3.530994      4.768918
  C      -0.656980      0.682923      4.578272
  C      -1.465535     -0.389009      5.251691
  C      -2.417726     -1.164979      4.688730
  C      -2.998652     -1.063046      3.345535
  N      -2.880954      0.092439      2.680823
  C      -3.534154      0.220776      1.501123
  N      -4.326241     -0.666268      0.917830
  C      -4.428093     -1.878956      1.540218
  C      -5.229149     -2.884641      0.943173
  C      -5.321142     -4.132685      1.525423
  C      -4.611370     -4.423024      2.716375
  C      -3.835133     -3.457937      3.328689
  C      -3.737533     -2.154929      2.771774
  C      -3.559039      0.539055      7.758325
  C      -4.771132      1.215453      8.335258
  C      -6.032977      1.205127      7.859430
  C      -6.554719      0.587241      6.638467
  N      -5.695105      0.135408      5.719568
  C      -6.197045     -0.341165      4.558100
  N      -7.469490     -0.493296      4.228508
  C      -8.381436     -0.069525      5.153638
  C      -9.760858     -0.215323      4.865008
  C     -10.707626      0.197919      5.779781
  C     -10.310001      0.761877      7.016416
  C      -8.972301      0.912272      7.324933
  C      -7.970675      0.499523      6.408521
  H      -4.116277      5.875364      7.377551
  H      -4.276383      4.535872      8.547899
  H      -4.157760      3.109994      6.145656
  H      -6.515197      5.055770      6.509966
  H      -5.695950      1.914988      2.235735
  H     -10.254746      2.420517      2.409085
  H     -11.852899      3.411890      4.062004
  H     -10.993732      4.439861      6.169547
  H      -8.573272      4.509858      6.634515
  H       0.390944      0.326278      4.576802
  H      -0.984767      0.768850      3.530831
  H      -1.164425     -0.624053      6.277990
  H      -2.819312     -1.976497      5.301499
  H      -3.403155      1.182326      0.989890
  H      -5.750650     -2.637065      0.015980
  H      -5.935709     -4.907938      1.061104
  H      -4.675457     -5.422795      3.152352
  H      -3.281829     -3.713188      4.234444
  H      -3.242519     -0.241964      8.473753
  H      -3.827656      0.043818      6.819321
  H      -4.590777      1.762623      9.269250
  H      -6.774409      1.751854      8.447085
  H      -5.455055     -0.636601      3.808081
  H     -10.034338     -0.655554      3.903608
  H     -11.771001      0.088987      5.552093
  H     -11.069421      1.080127      7.734929
  H      -8.694256      1.338539      8.290705
  N      -2.207664      4.169662      4.694591
  H      -2.309167      4.857577      3.941554
91
Coordinates from ORCA-job orca E -6199.815545044337
  N      -2.526571      4.480480      7.323775
  Mo     -2.189178      2.900476      6.143533
  N      -2.453190      1.485811      7.546420
  C      -1.363447      1.329517      8.513622
  C      -0.642790      2.650238      8.753759
  N      -0.337391      3.320164      7.451707
  C      -0.199802      4.789567      7.625128
  C      -1.574697      5.361232      7.924239
  C       0.885719      2.757544      6.813357
  C       0.599450      2.679341      5.324810
  N      -0.668744      2.004478      5.216563
  H      -1.651832      6.383459      7.498859
  H      -1.755893      5.456899      9.015944
  H       0.186820      5.196470      6.681553
  H       0.520464      5.011488      8.428604
  H       1.406465      2.144417      4.801222
  H       0.530603      3.697397      4.889124
  H       1.041961      1.737390      7.190746
  H       1.767707      3.370786      7.057624
  H      -1.746121      0.969331      9.482767
  H      -0.646544      0.564591      8.148892
  H      -1.298943      3.312715      9.331390
  H       0.290016      2.495741      9.320228
  C      -3.926413      4.818672      7.482451
  C      -4.713860      4.034336      6.470037
  C      -5.935249      4.272922      5.995493
  C      -6.572796      3.537002      4.896539
  N      -5.772926      2.912933      4.035568
  C      -6.360237      2.294651      2.974087
  N      -7.650528      2.271320      2.666707
  C      -8.489580      2.879691      3.553295
  C      -9.885828      2.880108      3.294351
  C     -10.753649      3.492330      4.175126
  C     -10.266478      4.124741      5.349020
  C      -8.913254      4.147959      5.622320
  C      -7.992642      3.547258      4.722719
  C      -0.668870      0.667507      4.611190
  C      -1.499406     -0.392058      5.277058
  C      -2.454698     -1.153858      4.698662
  C      -3.018524     -1.035960      3.342336
  N      -2.885162      0.121622      2.692048
  C      -3.516081      0.260614      1.496431
  N      -4.300710     -0.621219      0.891207
  C      -4.417300     -1.835776      1.506973
  C      -5.211876     -2.837217      0.889928
  C      -5.318025     -4.088055      1.463119
  C      -4.628909     -4.389011      2.666475
  C      -3.860641     -3.429993      3.298272
  C      -3.750350     -2.122283      2.749617
  C      -3.561404      0.532218      7.767190
  C      -4.771697      1.194473      8.362040
  C      -6.040480      1.174019      7.903001
  C      -6.567989      0.564077      6.674229
  N      -5.712693      0.149489      5.737724
  C      -6.221792     -0.318070      4.571166
  N      -7.497759     -0.481922      4.253405
  C      -8.402430     -0.094285      5.200768
  C      -9.784940     -0.264641      4.932039
  C     -10.724097      0.102639      5.873403
  C     -10.318842      0.645823      7.119675
  C      -8.979970      0.820492      7.409889
  C      -7.985166      0.452519      6.464431
  H      -4.088396      5.904960      7.335859
  H      -4.269927      4.570823      8.512244
  H      -4.175817      3.121235      6.119353
  H      -6.496135      5.100545      6.442899
  H      -5.682005      1.776390      2.289814
  H     -10.237483      2.378723      2.389291
  H     -11.828170      3.487645      3.972555
  H     -10.969364      4.595120      6.041718
  H      -8.553092      4.629543      6.534896
  H       0.375114      0.297348      4.621542
  H      -0.990972      0.754776      3.562742
  H      -1.216033     -0.633748      6.307323
  H      -2.871180     -1.964083      5.303192
  H      -3.369929      1.223168      0.993076
  H      -5.716513     -2.583421     -0.045569
  H      -5.926962     -4.859004      0.983306
  H      -4.703728     -5.391725      3.094769
  H      -3.324160     -3.695606      4.211359
  H      -3.226276     -0.247401      8.476217
  H      -3.832008      0.037887      6.829188
  H      -4.588037      1.737093      9.298870
  H      -6.779726      1.702940      8.509334
  H      -5.480572     -0.588611      3.809643
  H     -10.066550     -0.687943      3.964782
  H     -11.789107     -0.025605      5.661252
  H     -11.074283      0.927846      7.858033
  H      -8.695352      1.228274      8.381749
  N      -2.233115      4.081864      4.750560
  H      -2.426902      4.758323      4.007708
91
Coordinates from ORCA-job orca E -6199.824867043562
  N      -2.514134      4.488410      7.325933
  Mo     -2.177619      2.909774      6.127145
  N      -2.467945      1.475395      7.531824
  C      -1.373919      1.327586      8.496912
  C      -0.650858      2.647473      8.741709
  N      -0.330946      3.326223      7.445617
  C      -0.190108      4.794785      7.630023
  C      -1.565494      5.362497      7.938339
  C       0.895553      2.761214      6.811697
  C       0.614485      2.678891      5.323490
  N      -0.650658      2.001269      5.220983
  H      -1.642541      6.389777      7.524023
  H      -1.743882      5.448936      9.031441
  H       0.200828      5.204512      6.689531
  H       0.532155      5.004596      8.434490
  H       1.419208      2.138028      4.802320
  H       0.548350      3.693846      4.880273
  H       1.046567      1.742384      7.193753
  H       1.773416      3.375059      7.068869
  H      -1.758298      0.968600      9.466147
  H      -0.658223      0.560946      8.134906
  H      -1.305410      3.313665      9.316046
  H       0.280609      2.491236      9.309386
  C      -3.916263      4.828861      7.461467
  C      -4.712687      4.055757      6.445974
  C      -5.932597      4.298385      5.966715
  C      -6.568154      3.558102      4.867672
  N      -5.767172      2.950596      3.997080
  C      -6.356967      2.331926      2.938191
  N      -7.648159      2.280798      2.653080
  C      -8.487233      2.866525      3.553574
  C      -9.885815      2.839810      3.312827
  C     -10.752509      3.436120      4.202784
  C     -10.263372      4.079673      5.368415
  C      -8.908754      4.129757      5.623919
  C      -7.989883      3.545387      4.713699
  C      -0.663428      0.657870      4.628773
  C      -1.515085     -0.388030      5.286544
  C      -2.471203     -1.139141      4.696429
  C      -3.022743     -1.013047      3.334240
  N      -2.889298      0.148721      2.693111
  C      -3.499592      0.286561      1.488442
  N      -4.265890     -0.596456      0.868069
  C      -4.386627     -1.812719      1.478107
  C      -5.166443     -2.814992      0.845644
  C      -5.275137     -4.067235      1.411317
  C      -4.603290     -4.369742      2.622449
  C      -3.850551     -3.410329      3.269231
  C      -3.739342     -2.100977      2.727966
  C      -3.571620      0.521269      7.763188
  C      -4.771076      1.189260      8.369032
  C      -6.043872      1.168775      7.922834
  C      -6.582162      0.521502      6.717342
  N      -5.732058      0.030458      5.814549
  C      -6.244381     -0.490124      4.674063
  N      -7.518794     -0.612975      4.343874
  C      -8.418704     -0.135154      5.252552
  C      -9.802482     -0.262673      4.970476
  C     -10.738106      0.183479      5.878304
  C     -10.330165      0.766063      7.104173
  C      -8.990891      0.901241      7.407258
  C      -7.999560      0.451576      6.495417
  H      -4.071058      5.917300      7.319959
  H      -4.270879      4.575429      8.485593
  H      -4.199814      3.126612      6.088559
  H      -6.490770      5.127742      6.413155
  H      -5.679034      1.830430      2.242609
  H     -10.239427      2.331449      2.413342
  H     -11.828620      3.410861      4.014989
  H     -10.966744      4.536356      6.068368
  H      -8.547389      4.618739      6.530839
  H       0.376715      0.277190      4.654843
  H      -0.974054      0.744756      3.577413
  H      -1.250640     -0.632129      6.320375
  H      -2.897999     -1.947729      5.294452
  H      -3.350769      1.250788      0.990726
  H      -5.657507     -2.560456     -0.095948
  H      -5.872344     -4.838849      0.919784
  H      -4.679554     -5.374148      3.044559
  H      -3.326783     -3.678841      4.187779
  H      -3.225846     -0.255274      8.470856
  H      -3.850475      0.026381      6.829098
  H      -4.574839      1.750232      9.291593
  H      -6.771034      1.727409      8.515289
  H      -5.503129     -0.838029      3.945789
  H     -10.088000     -0.719601      4.020676
  H     -11.803658      0.087514      5.656141
  H     -11.084450      1.110542      7.815434
  H      -8.704072      1.341878      8.362972
  N      -2.282264      4.022719      4.760281
  H      -2.580504      4.682702      4.038404
91
Coordinates from ORCA-job orca E -6199.833880345655
  N      -2.500176      4.490827      7.330484
  Mo     -2.162517      2.915546      6.113685
  N      -2.481475      1.459532      7.513535
  C      -1.382687      1.323634      8.475651
  C      -0.656474      2.643520      8.725971
  N      -0.319240      3.332960      7.438999
  C      -0.177404      4.799490      7.634975
  C      -1.554675      5.360101      7.954195
  C       0.910712      2.768763      6.809387
  C       0.631375      2.680863      5.320294
  N      -0.628809      1.995553      5.226992
  H      -1.635381      6.392194      7.553259
  H      -1.727466      5.435163      9.048662
  H       0.215513      5.213966      6.697634
  H       0.547190      4.998567      8.439712
  H       1.433858      2.136421      4.799381
  H       0.565022      3.692053      4.870451
  H       1.060202      1.751980      7.195930
  H       1.782710      3.385489      7.078091
  H      -1.766647      0.965510      9.445511
  H      -0.666724      0.556747      8.116307
  H      -1.310519      3.312134      9.296754
  H       0.272258      2.484328      9.296659
  C      -3.902449      4.836862      7.444252
  C      -4.709490      4.069997      6.432979
  C      -5.931229      4.317295      5.956485
  C      -6.576664      3.564185      4.873089
  N      -5.784304      2.913937      4.024373
  C      -6.382730      2.279304      2.983382
  N      -7.669960      2.246146      2.696267
  C      -8.501968      2.877522      3.572003
  C      -9.897646      2.874593      3.322095
  C     -10.755273      3.517467      4.186169
  C     -10.260045      4.184030      5.333720
  C      -8.907405      4.211066      5.597851
  C      -7.997689      3.577534      4.714303
  C      -0.646874      0.647985      4.645403
  C      -1.514038     -0.385542      5.299410
  C      -2.471980     -1.130468      4.706523
  C      -3.026615     -0.998378      3.348155
  N      -2.915008      0.173221      2.720435
  C      -3.516806      0.307257      1.514694
  N      -4.258231     -0.582887      0.882195
  C      -4.363394     -1.805634      1.480791
  C      -5.121715     -2.814244      0.835489
  C      -5.211703     -4.072271      1.388399
  C      -4.541388     -4.373898      2.598104
  C      -3.809668     -3.408193      3.257126
  C      -3.719844     -2.093686      2.729659
  C      -3.575061      0.500479      7.740422
  C      -4.769834      1.170993      8.350646
  C      -6.046082      1.153616      7.910881
  C      -6.594326      0.502262      6.712036
  N      -5.754189      0.003284      5.803196
  C      -6.276778     -0.533300      4.677909
  N      -7.550551     -0.652220      4.358628
  C      -8.441481     -0.164109      5.269638
  C      -9.826484     -0.291125      4.999000
  C     -10.754181      0.160062      5.910637
  C     -10.337501      0.749202      7.127919
  C      -8.996710      0.886122      7.419204
  C      -8.013578      0.431644      6.502927
  H      -4.051341      5.926768      7.306074
  H      -4.265858      4.581539      8.464364
  H      -4.226876      3.124316      6.069522
  H      -6.477698      5.160133      6.390054
  H      -5.712816      1.745491      2.305013
  H     -10.256638      2.347314      2.437181
  H     -11.829356      3.511568      3.992316
  H     -10.957543      4.677006      6.012669
  H      -8.542029      4.719114      6.491047
  H       0.389913      0.259485      4.686078
  H      -0.945981      0.732637      3.590572
  H      -1.260878     -0.630233      6.334504
  H      -2.898659     -1.940238      5.301256
  H      -3.380826      1.276763      1.025062
  H      -5.611275     -2.560008     -0.105569
  H      -5.792143     -4.848962      0.887523
  H      -4.601971     -5.382659      3.009504
  H      -3.285541     -3.677187      4.174012
  H      -3.222884     -0.280888      8.440363
  H      -3.856567      0.013807      6.804321
  H      -4.569458      1.732462      9.270784
  H      -6.767390      1.712824      8.507949
  H      -5.541324     -0.896900      3.952959
  H     -10.119879     -0.753274      4.055468
  H     -11.820396      0.063277      5.698168
  H     -11.086049      1.097373      7.841546
  H      -8.702235      1.331953      8.368960
  N      -2.351208      3.976500      4.729872
  H      -2.768737      4.606521      4.041082
91
Coordinates from ORCA-job orca E -6199.842391310673
  N      -2.483481      4.490063      7.321334
  Mo     -2.143522      2.915012      6.100207
  N      -2.498899      1.444222      7.489994
  C      -1.396814      1.321544      8.449870
  C      -0.663552      2.639144      8.706761
  N      -0.303818      3.336798      7.430888
  C      -0.160973      4.801323      7.632743
  C      -1.540739      5.358660      7.952475
  C       0.930037      2.773664      6.809882
  C       0.651800      2.680079      5.318567
  N      -0.604329      1.985864      5.231785
  H      -1.625059      6.392451      7.559857
  H      -1.711459      5.427042      9.046777
  H       0.235670      5.217393      6.697931
  H       0.562632      4.995644      8.439510
  H       1.453200      2.134147      4.797623
  H       0.585491      3.687841      4.864516
  H       1.079409      1.758825      7.200258
  H       1.796438      3.393410      7.087692
  H      -1.781944      0.967535      9.420932
  H      -0.680521      0.553242      8.095744
  H      -1.318049      3.309717      9.273243
  H       0.258960      2.472101      9.284555
  C      -3.883075      4.844007      7.421488
  C      -4.699978      4.079480      6.420465
  C      -5.926872      4.337235      5.955953
  C      -6.594417      3.578896      4.893957
  N      -5.821531      2.897608      4.048688
  C      -6.440156      2.255495      3.028649
  N      -7.727818      2.237311      2.756181
  C      -8.542947      2.900714      3.624941
  C      -9.938877      2.914240      3.387087
  C     -10.778121      3.588750      4.244758
  C     -10.262443      4.269565      5.371926
  C      -8.907646      4.279866      5.624385
  C      -8.016873      3.613270      4.748443
  C      -0.616668      0.637397      4.655110
  C      -1.486528     -0.389815      5.312211
  C      -2.446804     -1.133365      4.724884
  C      -3.014171     -0.993530      3.377779
  N      -2.932110      0.191458      2.768891
  C      -3.540028      0.327922      1.570140
  N      -4.262647     -0.566862      0.928055
  C      -4.343933     -1.800092      1.508373
  C      -5.086545     -2.812202      0.853525
  C      -5.151260     -4.078500      1.390071
  C      -4.470705     -4.383147      2.591017
  C      -3.753546     -3.413302      3.258962
  C      -3.690165     -2.092747      2.748763
  C      -3.587113      0.487589      7.713488
  C      -4.782505      1.161699      8.318320
  C      -6.057875      1.141729      7.874558
  C      -6.604550      0.471672      6.687887
  N      -5.765146     -0.061051      5.795923
  C      -6.285470     -0.625601      4.686450
  N      -7.555375     -0.734387      4.359467
  C      -8.447421     -0.209580      5.248630
  C      -9.830001     -0.322650      4.966244
  C     -10.760364      0.163692      5.856076
  C     -10.348099      0.775974      7.060898
  C      -9.008811      0.901516      7.362215
  C      -8.023388      0.412104      6.468758
  H      -4.026696      5.934396      7.283920
  H      -4.250755      4.591310      8.440668
  H      -4.252046      3.118767      6.052927
  H      -6.457326      5.193731      6.381011
  H      -5.785205      1.699235      2.353271
  H     -10.313732      2.374822      2.517415
  H     -11.852998      3.596890      4.061077
  H     -10.945789      4.787266      6.045324
  H      -8.527127      4.799635      6.503293
  H       0.419242      0.248428      4.704485
  H      -0.907799      0.717097      3.596982
  H      -1.232901     -0.634395      6.345996
  H      -2.866478     -1.946914      5.318550
  H      -3.427805      1.307330      1.094822
  H      -5.584859     -2.554533     -0.080844
  H      -5.719837     -4.858368      0.882665
  H      -4.511600     -5.397330      2.989156
  H      -3.220574     -3.683560      4.169638
  H      -3.234831     -0.296186      8.410280
  H      -3.869203      0.004487      6.775252
  H      -4.583680      1.732909      9.231560
  H      -6.778790      1.710874      8.460955
  H      -5.549061     -1.023867      3.982444
  H     -10.120191     -0.803364      4.032141
  H     -11.824748      0.076853      5.635442
  H     -11.098435      1.151849      7.756835
  H      -8.717543      1.367015      8.302524
  N      -2.429691      3.930365      4.675926
  H      -2.973909      4.519132      4.041091
91
Coordinates from ORCA-job orca E -6199.849789637543
  N      -2.463122      4.489394      7.302531
  Mo     -2.119839      2.910610      6.091061
  N      -2.510963      1.433761      7.466853
  C      -1.407719      1.326624      8.428119
  C      -0.667282      2.642109      8.690674
  N      -0.283238      3.343592      7.423863
  C      -0.141156      4.807670      7.624653
  C      -1.523616      5.362246      7.936711
  C       0.955459      2.780572      6.813811
  C       0.676987      2.679136      5.321245
  N      -0.576854      1.976177      5.240844
  H      -1.612931      6.395270      7.546354
  H      -1.696223      5.428657      9.030283
  H       0.259043      5.222241      6.690531
  H       0.579311      5.004311      8.433954
  H       1.478154      2.132717      4.800317
  H       0.609899      3.683877      4.862779
  H       1.106662      1.768146      7.209753
  H       1.817635      3.404356      7.094987
  H      -1.795452      0.979112      9.400731
  H      -0.689733      0.556642      8.081796
  H      -1.323756      3.315473      9.251165
  H       0.246244      2.465379      9.279666
  C      -3.860600      4.850881      7.394567
  C      -4.687314      4.080947      6.410273
  C      -5.920981      4.348817      5.964454
  C      -6.619245      3.582170      4.931972
  N      -5.874342      2.858730      4.095199
  C      -6.521004      2.204696      3.101139
  N      -7.812371      2.212003      2.843714
  C      -8.600926      2.921902      3.701614
  C      -9.998493      2.963287      3.479500
  C     -10.810750      3.681895      4.328745
  C     -10.264466      4.378839      5.430838
  C      -8.906371      4.361191      5.668167
  C      -8.042864      3.648194      4.801612
  C      -0.579882      0.627606      4.665933
  C      -1.444882     -0.399286      5.328581
  C      -2.408714     -1.143700      4.749905
  C      -2.997356     -0.991258      3.416536
  N      -2.953817      0.209851      2.834471
  C      -3.580091      0.355234      1.646222
  N      -4.286418     -0.544740      0.992409
  C      -4.332545     -1.791790      1.547622
  C      -5.060333     -2.808139      0.883218
  C      -5.090206     -4.085531      1.398325
  C      -4.389025     -4.395979      2.585918
  C      -3.684943     -3.421860      3.262658
  C      -3.656828     -2.092473      2.774447
  C      -3.597052      0.478879      7.681711
  C      -4.800911      1.157872      8.266735
  C      -6.072166      1.132711      7.809135
  C      -6.613726      0.439896      6.634245
  N      -5.774256     -0.129254      5.764411
  C      -6.292170     -0.724552      4.669808
  N      -7.560637     -0.828966      4.335021
  C      -8.453829     -0.265738      5.199698
  C      -9.834568     -0.366647      4.904983
  C     -10.767356      0.161581      5.768783
  C     -10.358159      0.805786      6.957716
  C      -9.019796      0.921164      7.269469
  C      -8.032055      0.390317      6.402864
  H      -4.000199      5.940611      7.251197
  H      -4.227837      4.607739      8.416591
  H      -4.272760      3.106991      6.043652
  H      -6.431956      5.222157      6.379432
  H      -5.886771      1.615793      2.432129
  H     -10.397184      2.409985      2.629306
  H     -11.887358      3.712730      4.157357
  H     -10.926671      4.931932      6.097441
  H      -8.502955      4.894549      6.528740
  H       0.457136      0.242685      4.720116
  H      -0.865690      0.702098      3.605536
  H      -1.182173     -0.646032      6.359613
  H      -2.816016     -1.964813      5.342447
  H      -3.501478      1.348331      1.192214
  H      -5.576356     -2.545154     -0.040097
  H      -5.648066     -4.868887      0.884240
  H      -4.403710     -5.417552      2.966950
  H      -3.135988     -3.693331      4.163911
  H      -3.250823     -0.304759      8.381383
  H      -3.871520     -0.005130      6.740084
  H      -4.611721      1.742781      9.173269
  H      -6.796780      1.713532      8.379404
  H      -5.554855     -1.157321      3.987734
  H     -10.121917     -0.871723      3.982856
  H     -11.830668      0.083831      5.539372
  H     -11.109994      1.214947      7.633110
  H      -8.731254      1.412990      8.197314
  N      -2.499535      3.856434      4.639990
  H      -3.166831      4.393928      4.080972
91
Coordinates from ORCA-job orca E -6199.856699443926
  N      -2.440100      4.487858      7.271995
  Mo     -2.094361      2.902501      6.084976
  N      -2.521416      1.433813      7.441209
  C      -1.421018      1.338563      8.407736
  C      -0.670804      2.651029      8.676119
  N      -0.259646      3.349784      7.416888
  C      -0.117235      4.813913      7.608614
  C      -1.502229      5.368277      7.905120
  C       0.982796      2.782400      6.820606
  C       0.703453      2.670081      5.327389
  N      -0.551324      1.961770      5.253940
  H      -1.596165      6.397986      7.510404
  H      -1.681103      5.437982      8.997178
  H       0.287250      5.222628      6.673539
  H       0.597990      5.018757      8.420667
  H       1.503579      2.121580      4.807314
  H       0.636966      3.671828      4.863627
  H       1.134999      1.773348      7.224928
  H       1.843687      3.409102      7.098452
  H      -1.814841      0.999959      9.381159
  H      -0.702363      0.564992      8.071691
  H      -1.329153      3.329382      9.228440
  H       0.229925      2.461056      9.280370
  C      -3.835066      4.862450      7.362951
  C      -4.673489      4.083060      6.400465
  C      -5.914424      4.365204      5.979552
  C      -6.648538      3.590047      4.982705
  N      -5.934951      2.823239      4.156178
  C      -6.611934      2.152510      3.193753
  N      -7.908782      2.180739      2.956208
  C      -8.666228      2.938462      3.802317
  C     -10.065802      3.005816      3.600486
  C     -10.848003      3.771462      4.438461
  C     -10.267624      4.490059      5.508883
  C      -8.906103      4.446838      5.726521
  C      -8.072734      3.685047      4.871285
  C      -0.544599      0.613747      4.679247
  C      -1.403428     -0.413499      5.349273
  C      -2.372699     -1.157725      4.780450
  C      -2.984403     -0.987656      3.461530
  N      -2.980255      0.230451      2.913458
  C      -3.629345      0.390774      1.738052
  N      -4.320564     -0.511267      1.067821
  C      -4.328134     -1.773359      1.590633
  C      -5.041374     -2.791554      0.913382
  C      -5.034970     -4.080870      1.401849
  C      -4.312018     -4.401034      2.574528
  C      -3.620569     -3.425284      3.263189
  C      -3.628395     -2.086343      2.801644
  C      -3.610471      0.483129      7.645001
  C      -4.825342      1.166594      8.205252
  C      -6.089940      1.129051      7.731115
  C      -6.620659      0.400452      6.574802
  N      -5.775861     -0.219186      5.746012
  C      -6.285353     -0.858241      4.671401
  N      -7.550692     -0.958998      4.318436
  C      -8.449269     -0.341969      5.140207
  C      -9.825671     -0.432492      4.823040
  C     -10.765139      0.151263      5.643829
  C     -10.365568      0.842709      6.809796
  C      -9.030828      0.948740      7.141945
  C      -8.036150      0.362075      6.319918
  H      -3.968146      5.950924      7.208471
  H      -4.196968      4.637026      8.391386
  H      -4.289554      3.098037      6.041037
  H      -6.402432      5.256890      6.383573
  H      -6.000555      1.529727      2.533039
  H     -10.490987      2.434786      2.775070
  H     -11.926304      3.822764      4.282119
  H     -10.905602      5.080920      6.167061
  H      -8.477016      4.998137      6.563368
  H       0.493616      0.233370      4.736358
  H      -0.825782      0.682626      3.617011
  H      -1.127860     -0.662544      6.376841
  H      -2.767699     -1.987071      5.370476
  H      -3.589002      1.398960      1.313307
  H      -5.576868     -2.520831      0.003290
  H      -5.582580     -4.865468      0.878380
  H      -4.300311     -5.430419      2.934534
  H      -3.055326     -3.697952      4.154440
  H      -3.273771     -0.298186      8.351230
  H      -3.874074     -0.005741      6.700583
  H      -4.648428      1.771264      9.101377
  H      -6.820878      1.726235      8.276042
  H      -5.545111     -1.336572      4.024720
  H     -10.104410     -0.973929      3.918945
  H     -11.825366      0.081974      5.397380
  H     -11.121769      1.296524      7.451215
  H      -8.751010      1.478962      8.051257
  N      -2.553819      3.771289      4.602045
  H      -3.321370      4.257219      4.129076
91
Coordinates from ORCA-job orca E -6199.862876466994
  N      -2.415663      4.487602      7.235311
  Mo     -2.070239      2.892301      6.082006
  N      -2.530876      1.442962      7.416353
  C      -1.436047      1.356013      8.391798
  C      -0.674361      2.664855      8.664389
  N      -0.235361      3.355424      7.410428
  C      -0.091170      4.820340      7.587357
  C      -1.477916      5.376771      7.864612
  C       1.009032      2.778274      6.828547
  C       0.728786      2.652300      5.335960
  N      -0.530053      1.943684      5.270144
  H      -1.575013      6.401669      7.460703
  H      -1.665814      5.453983      8.954663
  H       0.318390      5.219125      6.649871
  H       0.618426      5.036531      8.401537
  H       1.526143      2.098590      4.817473
  H       0.665283      3.650901      4.865199
  H       1.159921      1.773547      7.244464
  H       1.871380      3.406426      7.098433
  H      -1.838824      1.028394      9.365367
  H      -0.718335      0.576751      8.067980
  H      -1.333115      3.351193      9.206535
  H       0.211580      2.460409      9.285655
  C      -3.808625      4.879066      7.330298
  C      -4.663971      4.088811      6.394183
  C      -5.911419      4.386485      6.000593
  C      -6.679490      3.597410      5.043102
  N      -5.993682      2.788140      4.232769
  C      -6.697010      2.093514      3.306116
  N      -7.999300      2.135405      3.088282
  C      -8.727712      2.940679      3.916611
  C     -10.129555      3.025533      3.735698
  C     -10.884842      3.836001      4.557213
  C     -10.274027      4.583025      5.591359
  C      -8.909522      4.522735      5.788767
  C      -8.103351      3.714126      4.949411
  C      -0.519881      0.595823      4.694621
  C      -1.375313     -0.431512      5.369983
  C      -2.350603     -1.173025      4.808372
  C      -2.981939     -0.983416      3.500906
  N      -3.016490      0.249918      2.989924
  C      -3.684297      0.425226      1.824992
  N      -4.354445     -0.478642      1.132443
  C      -4.321797     -1.754472      1.619889
  C      -5.013225     -2.775732      0.924230
  C      -4.969819     -4.075595      1.384444
  C      -4.231894     -4.404183      2.546651
  C      -3.560196     -3.426149      3.252264
  C      -3.604539     -2.078668      2.818164
  C      -3.625913      0.496668      7.610523
  C      -4.850993      1.185421      8.144948
  C      -6.108994      1.134145      7.656307
  C      -6.628945      0.367196      6.521085
  N      -5.778388     -0.305676      5.742300
  C      -6.277991     -0.989865      4.690128
  N      -7.539159     -1.087672      4.315382
  C      -8.442774     -0.414061      5.085955
  C      -9.813427     -0.492216      4.740560
  C     -10.758372      0.153367      5.507665
  C     -10.369179      0.897314      6.645512
  C      -9.040217      0.991893      7.003921
  C      -8.039440      0.342407      6.237186
  H      -3.932336      5.965772      7.160309
  H      -4.159845      4.677694      8.367603
  H      -4.307670      3.093733      6.046522
  H      -6.375811      5.296961      6.391052
  H      -6.105528      1.438044      2.657985
  H     -10.578633      2.431811      2.939004
  H     -11.964869      3.900799      4.415585
  H     -10.890132      5.210166      6.237432
  H      -8.457078      5.097089      6.597915
  H       0.518848      0.217770      4.753699
  H      -0.797022      0.661082      3.630864
  H      -1.087110     -0.685162      6.393584
  H      -2.735634     -2.010849      5.393743
  H      -3.684695      1.447503      1.433411
  H      -5.563743     -2.499043      0.024478
  H      -5.501955     -4.862017      0.847105
  H      -4.193893     -5.440692      2.884768
  H      -2.984567     -3.696572      4.138153
  H      -3.299324     -0.279815      8.326428
  H      -3.876776     -0.001292      6.665661
  H      -4.685015      1.812594      9.028008
  H      -6.845265      1.749512      8.173800
  H      -5.534088     -1.514377      4.084776
  H     -10.082885     -1.073282      3.858134
  H     -11.814313      0.094204      5.239374
  H     -11.128936      1.401478      7.244326
  H      -8.770202      1.564992      7.890219
  N      -2.594750      3.673063      4.571924
  H      -3.438061      4.113318      4.188167
91
Coordinates from ORCA-job orca E -6199.868212682074
  N      -2.398982      4.482968      7.187132
  Mo     -2.048513      2.871167      6.080587
  N      -2.538333      1.453967      7.399754
  C      -1.451051      1.375773      8.386505
  C      -0.681352      2.683275      8.659120
  N      -0.215404      3.358349      7.407936
  C      -0.073056      4.825310      7.561386
  C      -1.463343      5.384200      7.811102
  C       1.031614      2.766451      6.847039
  C       0.756200      2.617468      5.356202
  N      -0.508593      1.912798      5.294982
  H      -1.561807      6.401735      7.391128
  H      -1.665910      5.475225      8.897516
  H       0.343967      5.208724      6.620580
  H       0.627850      5.059397      8.378178
  H       1.551706      2.054773      4.845029
  H       0.698802      3.610624      4.873283
  H       1.178847      1.769161      7.281975
  H       1.895818      3.396858      7.105549
  H      -1.864549      1.062456      9.360124
  H      -0.734711      0.589708      8.077914
  H      -1.341530      3.379280      9.187129
  H       0.188433      2.468384      9.299528
  C      -3.792004      4.890497      7.283853
  C      -4.662817      4.085758      6.374839
  C      -5.912972      4.396476      5.996557
  C      -6.694012      3.596515      5.057971
  N      -6.012614      2.772935      4.257600
  C      -6.717245      2.070651      3.337168
  N      -8.020549      2.115312      3.117237
  C      -8.743494      2.935827      3.934528
  C     -10.144766      3.028184      3.749544
  C     -10.897106      3.853649      4.559098
  C     -10.283910      4.609404      5.586254
  C      -8.919819      4.543556      5.786734
  C      -8.116644      3.718606      4.959573
  C      -0.501537      0.564035      4.719109
  C      -1.366561     -0.456501      5.394268
  C      -2.350739     -1.184039      4.830599
  C      -2.980110     -0.969067      3.523992
  N      -3.018185      0.275844      3.044423
  C      -3.677678      0.474666      1.876832
  N      -4.331255     -0.418707      1.153024
  C      -4.293591     -1.705222      1.610798
  C      -4.968614     -2.717495      0.885891
  C      -4.921869     -4.026037      1.321390
  C      -4.197557     -4.374318      2.487382
  C      -3.540939     -3.406110      3.220244
  C      -3.588554     -2.050833      2.810354
  C      -3.636106      0.509524      7.597441
  C      -4.863334      1.196624      8.130998
  C      -6.124293      1.131748      7.654673
  C      -6.648888      0.349303      6.534018
  N      -5.799903     -0.336912      5.766421
  C      -6.302542     -1.035336      4.724970
  N      -7.566245     -1.135974      4.353560
  C      -8.467172     -0.448342      5.115473
  C      -9.838972     -0.526622      4.772485
  C     -10.780324      0.135170      5.530179
  C     -10.386279      0.897321      6.655276
  C      -9.056945      0.992399      7.010704
  C      -8.059226      0.325045      6.253862
  H      -3.905256      5.973940      7.090834
  H      -4.132405      4.720363      8.330160
  H      -4.326402      3.082184      6.047471
  H      -6.361699      5.321749      6.370017
  H      -6.128397      1.405631      2.697664
  H     -10.595919      2.428077      2.958720
  H     -11.976406      3.923525      4.413020
  H     -10.896883      5.249472      6.222858
  H      -8.465150      5.126393      6.588734
  H       0.535164      0.182306      4.785330
  H      -0.769868      0.626509      3.652647
  H      -1.076995     -0.716651      6.416355
  H      -2.745890     -2.022245      5.408925
  H      -3.686053      1.506801      1.512324
  H      -5.510854     -2.427274     -0.014848
  H      -5.442599     -4.804670      0.761631
  H      -4.159110     -5.417091      2.806008
  H      -2.976746     -3.683291      4.111489
  H      -3.308047     -0.261458      8.318361
  H      -3.883931      0.001568      6.656658
  H      -4.694231      1.836112      9.004788
  H      -6.859497      1.748080      8.172954
  H      -5.558729     -1.567733      4.124795
  H     -10.111268     -1.120288      3.899255
  H     -11.836882      0.076384      5.263511
  H     -11.142548      1.416351      7.245840
  H      -8.784609      1.581333      7.885849
  N      -2.621013      3.549285      4.540690
  H      -3.514381      3.951006      4.230526
91
Coordinates from ORCA-job orca E -6199.873035603480
  N      -2.382602      4.486604      7.147107
  Mo     -2.025725      2.860059      6.078359
  N      -2.544043      1.465692      7.376040
  C      -1.465694      1.390831      8.376644
  C      -0.689292      2.696659      8.655595
  N      -0.195770      3.363966      7.411480
  C      -0.056350      4.832090      7.550260
  C      -1.449768      5.393919      7.773462
  C       1.054317      2.761048      6.869130
  C       0.789142      2.597620      5.378851
  N      -0.480432      1.898302      5.314609
  H      -1.544900      6.406835      7.342881
  H      -1.669416      5.493421      8.855786
  H       0.371427      5.203985      6.609553
  H       0.634445      5.078670      8.372041
  H       1.584103      2.028260      4.874521
  H       0.739088      3.587423      4.888189
  H       1.196331      1.769305      7.318132
  H       1.919129      3.392736      7.122959
  H      -1.891453      1.085791      9.347258
  H      -0.751337      0.599846      8.078398
  H      -1.350780      3.399844      9.172295
  H       0.164311      2.470021      9.313799
  C      -3.776259      4.906100      7.250277
  C      -4.668232      4.095147      6.366441
  C      -5.920725      4.419260      6.003676
  C      -6.714362      3.610354      5.080933
  N      -6.039076      2.773693      4.287884
  C      -6.748863      2.062744      3.378768
  N      -8.052478      2.108521      3.163501
  C      -8.768157      2.943006      3.971844
  C     -10.169943      3.039141      3.791195
  C     -10.915766      3.877381      4.592772
  C     -10.296034      4.643358      5.608497
  C      -8.931747      4.574590      5.804282
  C      -8.135621      3.735766      4.984799
  C      -0.478059      0.551610      4.729205
  C      -1.345066     -0.469955      5.402504
  C      -2.336312     -1.190923      4.842576
  C      -2.972688     -0.966362      3.538369
  N      -3.024484      0.284223      3.078057
  C      -3.689477      0.494142      1.915970
  N      -4.333192     -0.394774      1.179167
  C      -4.282596     -1.687042      1.618479
  C      -4.949276     -2.695654      0.880767
  C      -4.893287     -4.008434      1.300173
  C      -4.168406     -4.366734      2.462516
  C      -3.518632     -3.403449      3.206861
  C      -3.574435     -2.043340      2.812315
  C      -3.643657      0.520514      7.568878
  C      -4.874280      1.198674      8.102684
  C      -6.137446      1.118866      7.635812
  C      -6.661957      0.325250      6.522571
  N      -5.812641     -0.373771      5.765641
  C      -6.315191     -1.080456      4.730053
  N      -7.578353     -1.179159      4.357209
  C      -8.478114     -0.479243      5.109156
  C      -9.849381     -0.552437      4.761615
  C     -10.788787      0.124884      5.506983
  C     -10.394269      0.899093      6.623707
  C      -9.066441      0.989838      6.983411
  C      -8.070459      0.305391      6.239250
  H      -3.878672      5.986689      7.038705
  H      -4.101610      4.762068      8.304768
  H      -4.348727      3.084442      6.053010
  H      -6.354564      5.356412      6.364256
  H      -6.165767      1.388247      2.745038
  H     -10.626551      2.431293      3.009495
  H     -11.995162      3.949730      4.449158
  H     -10.903671      5.294304      6.238977
  H      -8.470652      5.165726      6.596466
  H       0.558494      0.170174      4.797558
  H      -0.742151      0.616921      3.661903
  H      -1.048501     -0.737200      6.420916
  H      -2.734680     -2.027136      5.421481
  H      -3.712332      1.532280      1.569490
  H      -5.494263     -2.399098     -0.016198
  H      -5.408661     -4.783412      0.730535
  H      -4.124832     -5.413001      2.768479
  H      -2.954624     -3.684044      4.096828
  H      -3.315610     -0.249395      8.291075
  H      -3.882896      0.010432      6.628674
  H      -4.705862      1.846753      8.970323
  H      -6.873870      1.731655      8.156435
  H      -5.571189     -1.622188      4.137182
  H     -10.122007     -1.154316      3.894190
  H     -11.844503      0.070285      5.236370
  H     -11.148995      1.432087      7.203538
  H      -8.794284      1.590323      7.850606
  N      -2.642138      3.437575      4.517769
  H      -3.568173      3.811607      4.268389
91
Coordinates from ORCA-job orca E -6199.878142564377
  N      -2.372334      4.490750      7.114488
  Mo     -2.006724      2.850377      6.074966
  N      -2.550218      1.473808      7.353666
  C      -1.480475      1.399213      8.369294
  C      -0.698663      2.703159      8.655930
  N      -0.179603      3.366665      7.420016
  C      -0.045058      4.835704      7.549399
  C      -1.441716      5.400154      7.747297
  C       1.074389      2.755529      6.894857
  C       0.823317      2.581944      5.404241
  N      -0.451196      1.889131      5.329983
  H      -1.530411      6.410451      7.309884
  H      -1.678730      5.504754      8.825431
  H       0.394712      5.199227      6.610863
  H       0.634632      5.092214      8.377538
  H       1.619343      2.007541      4.907545
  H       0.782035      3.569720      4.908567
  H       1.210397      1.768202      7.355071
  H       1.938941      3.388253      7.148090
  H      -1.918802      1.099978      9.335655
  H      -0.768872      0.604071      8.078388
  H      -1.361813      3.411899      9.162932
  H       0.139732      2.465856      9.330146
  C      -3.767029      4.919988      7.226758
  C      -4.681709      4.108704      6.365114
  C      -5.934498      4.444418      6.013072
  C      -6.730624      3.629023      5.095100
  N      -6.051942      2.790549      4.305835
  C      -6.757748      2.077184      3.396247
  N      -8.059753      2.121601      3.176884
  C      -8.778227      2.957979      3.979787
  C     -10.179574      3.054251      3.794355
  C     -10.927717      3.893323      4.591865
  C     -10.311874      4.660881      5.608883
  C      -8.948579      4.592917      5.808741
  C      -8.150497      3.752457      4.993361
  C      -0.455071      0.547354      4.727795
  C      -1.324901     -0.477622      5.393742
  C      -2.321657     -1.192600      4.835998
  C      -2.962476     -0.966484      3.531989
  N      -3.022497      0.284884      3.077877
  C      -3.687403      0.496665      1.917020
  N      -4.320609     -0.392713      1.173645
  C      -4.261774     -1.686695      1.606779
  C      -4.919636     -2.696072      0.862035
  C      -4.859565     -4.009482      1.276558
  C      -4.139604     -4.369082      2.441176
  C      -3.497366     -3.406096      3.191408
  C      -3.556336     -2.044575      2.800986
  C      -3.652450      0.528704      7.542362
  C      -4.880627      1.198899      8.087203
  C      -6.149215      1.109573      7.637824
  C      -6.679962      0.314895      6.527796
  N      -5.833389     -0.384618      5.766997
  C      -6.341036     -1.089241      4.732868
  N      -7.605768     -1.187785      4.368043
  C      -8.501722     -0.489527      5.125539
  C      -9.875201     -0.562287      4.785413
  C     -10.810033      0.115556      5.535079
  C     -10.409871      0.891274      6.648577
  C      -9.080611      0.982376      7.001109
  C      -8.089184      0.295740      6.252667
  H      -3.858571      5.998152      6.999779
  H      -4.076514      4.797666      8.288264
  H      -4.375311      3.093707      6.062130
  H      -6.358546      5.389680      6.363038
  H      -6.173477      1.401309      2.765550
  H     -10.633635      2.445459      3.011983
  H     -12.006481      3.965468      4.444138
  H     -10.921580      5.313112      6.235809
  H      -8.488619      5.185491      6.600393
  H       0.581080      0.165571      4.797949
  H      -0.714403      0.620853      3.659889
  H      -1.023680     -0.753979      6.408593
  H      -2.723308     -2.025802      5.417013
  H      -3.718761      1.537144      1.577779
  H      -5.462724     -2.399249     -0.035901
  H      -5.369024     -4.784449      0.701713
  H      -4.094646     -5.416180      2.743746
  H      -2.938523     -3.685987      4.084696
  H      -3.322766     -0.243816      8.261306
  H      -3.887966      0.021100      6.601032
  H      -4.706482      1.848819      8.952400
  H      -6.883004      1.713999      8.171321
  H      -5.599179     -1.628521      4.134319
  H     -10.152637     -1.164175      3.919595
  H     -11.867060      0.061219      5.269887
  H     -11.161344      1.426071      7.230801
  H      -8.804078      1.585519      7.864871
  N      -2.662802      3.332707      4.502222
  H      -3.606975      3.688150      4.288514
91
Coordinates from ORCA-job orca E -6199.882595362477
  N      -2.362145      4.493354      7.083700
  Mo     -1.988054      2.841277      6.072973
  N      -2.556256      1.481431      7.329606
  C      -1.495907      1.406724      8.358763
  C      -0.710441      2.709204      8.654343
  N      -0.166035      3.369071      7.428291
  C      -0.035481      4.838433      7.548796
  C      -1.434467      5.405143      7.722481
  C       1.091554      2.750415      6.920616
  C       0.854229      2.568205      5.429756
  N      -0.424082      1.881101      5.345444
  H      -1.517287      6.412754      7.278537
  H      -1.688210      5.514385      8.796259
  H       0.415661      5.194166      6.612622
  H       0.633429      5.104403      8.382839
  H       1.651550      1.989854      4.940000
  H       0.820807      3.554374      4.930342
  H       1.221635      1.767141      7.390833
  H       1.955887      3.383886      7.173588
  H      -1.946085      1.111977      9.320584
  H      -0.786316      0.608500      8.074272
  H      -1.376110      3.422509      9.151622
  H       0.112010      2.461734      9.344697
  C      -3.757313      4.931272      7.205093
  C      -4.692147      4.120526      6.363747
  C      -5.944764      4.468340      6.021716
  C      -6.743707      3.649803      5.106334
  N      -6.062795      2.810576      4.318742
  C      -6.765535      2.098702      3.406340
  N      -8.065724      2.145389      3.181656
  C      -8.785808      2.982811      3.981055
  C     -10.186371      3.082348      3.790336
  C     -10.935849      3.920903      4.586222
  C     -10.323069      4.685425      5.607448
  C      -8.960988      4.615023      5.811985
  C      -8.161927      3.774202      4.998421
  C      -0.432956      0.545151      4.726450
  C      -1.304870     -0.483143      5.385758
  C      -2.306321     -1.192972      4.830112
  C      -2.950272     -0.965879      3.525855
  N      -3.016949      0.285906      3.076719
  C      -3.681416      0.499125      1.916766
  N      -4.305093     -0.390670      1.167541
  C      -4.239380     -1.685963      1.595670
  C      -4.889289     -2.696148      0.844927
  C      -4.826427     -4.009846      1.256056
  C      -4.111903     -4.370233      2.423426
  C      -3.476368     -3.407358      3.178568
  C      -3.537142     -2.044909      2.790721
  C      -3.661503      0.536977      7.511961
  C      -4.887286      1.199982      8.066890
  C      -6.161091      1.100058      7.635507
  C      -6.699087      0.301612      6.531278
  N      -5.856111     -0.398897      5.766221
  C      -6.370362     -1.104812      4.736579
  N      -7.637492     -1.207218      4.383782
  C      -8.528873     -0.510602      5.147577
  C      -9.905247     -0.586785      4.818946
  C     -10.834828      0.091915      5.573489
  C     -10.427458      0.873210      6.680282
  C      -9.095966      0.968470      7.021551
  C      -8.109715      0.279675      6.268058
  H      -3.839306      6.006833      6.963967
  H      -4.051227      4.828776      8.272652
  H      -4.397621      3.102794      6.070378
  H      -6.359009      5.420869      6.362575
  H      -6.181025      1.422116      2.777118
  H     -10.638475      2.476042      3.005050
  H     -12.013692      3.995283      4.433980
  H     -10.933920      5.337931      6.232677
  H      -8.501632      5.205458      6.605421
  H       0.602933      0.163409      4.797953
  H      -0.687920      0.626469      3.658102
  H      -0.999182     -0.767589      6.397219
  H      -2.711420     -2.022990      5.413257
  H      -3.720340      1.541525      1.583889
  H      -5.430056     -2.399467     -0.054304
  H      -5.330623     -4.784843      0.676827
  H      -4.066607     -5.417817      2.723777
  H      -2.923134     -3.685833      4.075610
  H      -3.331385     -0.239211      8.226976
  H      -3.893335      0.033061      6.568720
  H      -4.707555      1.852194      8.929223
  H      -6.891936      1.696450      8.181425
  H      -5.631654     -1.641673      4.131592
  H     -10.188584     -1.191819      3.957378
  H     -11.893705      0.034819      5.316918
  H     -11.175060      1.409850      7.265537
  H      -8.813941      1.577241      7.879328
  N      -2.679272      3.234314      4.492602
  H      -3.637671      3.575753      4.314969
91
Coordinates from ORCA-job orca E -6199.885033070201
  N      -2.355269      4.504976      7.069208
  Mo     -1.981986      2.840526      6.078650
  N      -2.568689      1.488493      7.328830
  C      -1.512580      1.412330      8.363913
  C      -0.723863      2.714706      8.662451
  N      -0.164847      3.370454      7.441241
  C      -0.030695      4.839463      7.554810
  C      -1.428326      5.413465      7.714590
  C       1.093027      2.743551      6.945828
  C       0.863722      2.556554      5.454363
  N      -0.415848      1.873433      5.364337
  H      -1.502089      6.420460      7.268034
  H      -1.691672      5.525846      8.785599
  H       0.428764      5.187619      6.619833
  H       0.633415      5.108300      8.391874
  H       1.661402      1.975024      4.968953
  H       0.835971      3.541489      4.952616
  H       1.216515      1.762717      7.422626
  H       1.957896      3.375703      7.200404
  H      -1.968602      1.122017      9.324209
  H      -0.805598      0.610750      8.083622
  H      -1.389536      3.431984      9.153833
  H       0.090560      2.462630      9.360776
  C      -3.748345      4.947565      7.187770
  C      -4.690319      4.133549      6.358913
  C      -5.940857      4.486494      6.014716
  C      -6.741773      3.657709      5.109979
  N      -6.062399      2.798824      4.341685
  C      -6.765522      2.072599      3.442047
  N      -8.063856      2.122258      3.211766
  C      -8.782710      2.980311      3.990379
  C     -10.182237      3.081753      3.794438
  C     -10.929924      3.937839      4.572777
  C     -10.316643      4.718566      5.581025
  C      -8.955609      4.646243      5.790384
  C      -8.158588      3.786970      4.994930
  C      -0.431507      0.547908      4.721689
  C      -1.309144     -0.488344      5.361417
  C      -2.305850     -1.196856      4.794885
  C      -2.943511     -0.970181      3.487388
  N      -3.026091      0.283633      3.047079
  C      -3.684029      0.495993      1.884349
  N      -4.286564     -0.396663      1.123033
  C      -4.205412     -1.694241      1.541530
  C      -4.834082     -2.707025      0.776617
  C      -4.757406     -4.022712      1.177677
  C      -4.049440     -4.382594      2.348581
  C      -3.433783     -3.417657      3.117035
  C      -3.508835     -2.052818      2.739687
  C      -3.680781      0.552637      7.508263
  C      -4.898919      1.219148      8.073096
  C      -6.178025      1.111538      7.659391
  C      -6.726106      0.297104      6.571614
  N      -5.890621     -0.424403      5.816817
  C      -6.413343     -1.147673      4.804125
  N      -7.681933     -1.249982      4.459811
  C      -8.565853     -0.532927      5.213022
  C      -9.943642     -0.605012      4.889725
  C     -10.865556      0.098113      5.630859
  C     -10.449173      0.900995      6.718178
  C      -9.116116      0.993113      7.053928
  C      -8.137741      0.279416      6.313920
  H      -3.824906      6.020460      6.933604
  H      -4.038890      4.859985      8.257438
  H      -4.404573      3.111618      6.076281
  H      -6.349410      5.446445      6.340631
  H      -6.182851      1.379137      2.829226
  H     -10.635019      2.462364      3.019983
  H     -12.006957      4.013724      4.416766
  H     -10.926355      5.384984      6.192232
  H      -8.495170      5.248926      6.573736
  H       0.602318      0.160776      4.793325
  H      -0.679356      0.647700      3.653312
  H      -1.007499     -0.785152      6.370458
  H      -2.711482     -2.030756      5.371995
  H      -3.735928      1.540478      1.559684
  H      -5.370574     -2.410594     -0.125062
  H      -5.245572     -4.799670      0.587720
  H      -3.993400     -5.431755      2.641021
  H      -2.885844     -3.696884      4.016891
  H      -3.353784     -0.230638      8.217122
  H      -3.918074      0.056995      6.562766
  H      -4.709195      1.879850      8.926647
  H      -6.903538      1.711194      8.208386
  H      -5.680717     -1.701215      4.207136
  H     -10.234216     -1.226297      4.042406
  H     -11.925367      0.044125      5.378182
  H     -11.190861      1.457314      7.292238
  H      -8.826741      1.620087      7.895825
  N      -2.688853      3.179417      4.491135
  H      -3.652487      3.515657      4.325354
91
Coordinates from ORCA-job orca E -6199.888083497713
  N      -2.338289      4.520200      7.045736
  Mo     -1.959337      2.842172      6.083915
  N      -2.567359      1.499962      7.316922
  C      -1.521602      1.421079      8.364445
  C      -0.733690      2.724984      8.672311
  N      -0.152743      3.377389      7.460535
  C      -0.018411      4.845914      7.566875
  C      -1.415933      5.424884      7.704885
  C       1.107942      2.742063      6.983653
  C       0.894239      2.548952      5.490967
  N      -0.387927      1.872665      5.387726
  H      -1.478892      6.431915      7.257022
  H      -1.696735      5.537840      8.771381
  H       0.453129      5.186751      6.635158
  H       0.636128      5.120402      8.409794
  H       1.693732      1.963156      5.013762
  H       0.876386      3.532860      4.986828
  H       1.223393      1.764600      7.469070
  H       1.972535      3.373566      7.241310
  H      -1.988235      1.132841      9.320049
  H      -0.814940      0.617920      8.089584
  H      -1.403093      3.445113      9.154432
  H       0.066892      2.466874      9.384617
  C      -3.730434      4.966098      7.164645
  C      -4.680799      4.146430      6.352109
  C      -5.928795      4.503752      6.004458
  C      -6.724962      3.658810      5.108994
  N      -6.038086      2.785251      4.363365
  C      -6.732510      2.039258      3.474043
  N      -8.028600      2.082109      3.233049
  C      -8.754902      2.955778      3.987040
  C     -10.153387      3.049440      3.780115
  C     -10.908359      3.917385      4.537501
  C     -10.304235      4.718633      5.535149
  C      -8.944591      4.654518      5.754462
  C      -8.140462      3.782539      4.980601
  C      -0.416206      0.562982      4.712830
  C      -1.297131     -0.479054      5.339522
  C      -2.306719     -1.173187      4.777795
  C      -2.959436     -0.937436      3.478485
  N      -3.045016      0.318593      3.046546
  C      -3.716128      0.539633      1.893686
  N      -4.328141     -0.346821      1.134032
  C      -4.246601     -1.646818      1.544853
  C      -4.886759     -2.652886      0.780556
  C      -4.812966     -3.970586      1.174049
  C      -4.096832     -4.339758      2.336699
  C      -3.468529     -3.382115      3.103551
  C      -3.538624     -2.014792      2.733094
  C      -3.681942      0.563694      7.479761
  C      -4.899518      1.218157      8.056645
  C      -6.182770      1.090661      7.662063
  C      -6.733132      0.261264      6.586357
  N      -5.898895     -0.474885      5.843378
  C      -6.423404     -1.212696      4.842301
  N      -7.692062     -1.318737      4.501567
  C      -8.574176     -0.587808      5.243055
  C      -9.952071     -0.659652      4.919528
  C     -10.871378      0.062707      5.644818
  C     -10.452793      0.885965      6.715703
  C      -9.119977      0.978299      7.051672
  C      -8.144354      0.244257      6.328191
  H      -3.802360      6.035060      6.893370
  H      -4.013673      4.898205      8.237514
  H      -4.401239      3.121866      6.083521
  H      -6.334343      5.470729      6.311871
  H      -6.144661      1.332686      2.881343
  H     -10.599443      2.413955      3.014921
  H     -11.984513      3.986865      4.373272
  H     -10.919935      5.394486      6.129568
  H      -8.490053      5.272774      6.528928
  H       0.615282      0.168191      4.774721
  H      -0.666177      0.686641      3.647392
  H      -0.987929     -0.792484      6.341419
  H      -2.715156     -2.004701      5.356470
  H      -3.768426      1.586255      1.575769
  H      -5.430548     -2.349555     -0.114343
  H      -5.310501     -4.742059      0.584838
  H      -4.044754     -5.390533      2.623763
  H      -2.914927     -3.668946      3.997440
  H      -3.355653     -0.230625      8.176876
  H      -3.915405      0.081989      6.526877
  H      -4.706595      1.886306      8.903603
  H      -6.908466      1.683018      8.218358
  H      -5.692575     -1.777411      4.253407
  H     -10.244526     -1.295596      4.083887
  H     -11.930968      0.009093      5.391452
  H     -11.192439      1.458600      7.276038
  H      -8.828675      1.622993      7.879249
  N      -2.684185      3.102416      4.490149
  H      -3.654537      3.428652      4.332644
91
Coordinates from ORCA-job orca E -6199.892075334737
  N      -2.380815      4.524097      7.084889
  Mo     -1.987854      2.853070      6.057691
  N      -2.557096      1.454177      7.329446
  C      -1.489903      1.368922      8.365401
  C      -0.703007      2.672349      8.676425
  N      -0.143885      3.364821      7.456996
  C      -0.027070      4.838753      7.600316
  C      -1.435149      5.407645      7.760880
  C       1.125984      2.752924      6.947776
  C       0.912889      2.588390      5.442962
  N      -0.387509      1.904752      5.328862
  H      -1.500437      6.426795      7.342615
  H      -1.698966      5.490979      8.834044
  H       0.433351      5.210444      6.674393
  H       0.631040      5.098920      8.445619
  H       1.718154      2.013888      4.961067
  H       0.893648      3.580044      4.954147
  H       1.247598      1.764669      7.409494
  H       1.987643      3.382236      7.218539
  H      -1.940258      1.060284      9.323397
  H      -0.778199      0.577263      8.064201
  H      -1.374420      3.375436      9.181792
  H       0.115989      2.416611      9.367699
  C      -3.783773      4.972995      7.247464
  C      -4.741583      4.164916      6.423126
  C      -5.995641      4.520206      6.091026
  C      -6.806387      3.716079      5.180295
  N      -6.148584      2.874383      4.376645
  C      -6.874175      2.171319      3.469837
  N      -8.183329      2.235078      3.262954
  C      -8.882307      3.080186      4.078150
  C     -10.284361      3.193088      3.912579
  C     -11.012600      4.033825      4.732108
  C     -10.373980      4.784609      5.748880
  C      -9.006816      4.700262      5.929428
  C      -8.228376      3.856948      5.094082
  C      -0.385069      0.609390      4.627132
  C      -1.222272     -0.456712      5.266208
  C      -2.214975     -1.187777      4.732459
  C      -2.908538     -1.002626      3.457675
  N      -3.065556      0.234912      2.988224
  C      -3.794604      0.380378      1.848902
  N      -4.398341     -0.566736      1.141715
  C      -4.237773     -1.845185      1.595418
  C      -4.856905     -2.910242      0.895733
  C      -4.700318     -4.210374      1.338495
  C      -3.918665     -4.492885      2.487499
  C      -3.309739     -3.470834      3.191373
  C      -3.464726     -2.128310      2.770889
  C      -3.675837      0.521705      7.458758
  C      -4.895844      1.196943      8.021585
  C      -6.170417      1.094053      7.582774
  C      -6.704292      0.282956      6.487446
  N      -5.871791     -0.474364      5.771109
  C      -6.388341     -1.202108      4.750530
  N      -7.653008     -1.278900      4.366438
  C      -8.536428     -0.522041      5.079649
  C      -9.903775     -0.558734      4.713085
  C     -10.827567      0.192342      5.409401
  C     -10.417050      1.006751      6.492525
  C      -9.089995      1.061845      6.869835
  C      -8.111280      0.300809      6.179247
  H      -3.866914      6.049963      7.009912
  H      -4.057593      4.871660      8.322136
  H      -4.463676      3.141672      6.118321
  H      -6.404936      5.474455      6.432612
  H      -6.299862      1.493344      2.829417
  H     -10.756791      2.596773      3.131312
  H     -12.092855      4.119561      4.601450
  H     -10.968913      5.437046      6.390229
  H      -8.527409      5.279252      6.719976
  H       0.654820      0.236353      4.671601
  H      -0.648969      0.741035      3.564007
  H      -0.884804     -0.757522      6.264498
  H      -2.574287     -2.029782      5.329728
  H      -3.917696      1.409759      1.499494
  H      -5.449265     -2.667498      0.012635
  H      -5.179762     -5.030291      0.801269
  H      -3.798752     -5.526466      2.815900
  H      -2.705898     -3.695408      4.071640
  H      -3.363198     -0.298133      8.132217
  H      -3.916050      0.066302      6.488502
  H      -4.712976      1.852104      8.880493
  H      -6.905008      1.697895      8.116529
  H      -5.661590     -1.790680      4.184863
  H     -10.187204     -1.189316      3.869647
  H     -11.880566      0.167230      5.123684
  H     -11.157306      1.601195      7.030024
  H      -8.804600      1.699717      7.705856
  N      -2.761827      3.148666      4.497429
  H      -3.718697      3.467452      4.276851
91
Coordinates from ORCA-job orca E -6199.895702430756
  N      -2.371245      4.539313      7.069524
  Mo     -1.976092      2.856829      6.060562
  N      -2.562712      1.463468      7.321915
  C      -1.501229      1.377055      8.365076
  C      -0.712543      2.679150      8.681167
  N      -0.135703      3.369389      7.468405
  C      -0.017974      4.842856      7.608862
  C      -1.425743      5.415809      7.757510
  C       1.135630      2.750806      6.970276
  C       0.932843      2.584062      5.464490
  N      -0.371827      1.907969      5.340117
  H      -1.482670      6.436675      7.342523
  H      -1.700013      5.495933      8.828280
  H       0.449888      5.210834      6.685049
  H       0.634780      5.105392      8.457801
  H       1.737942      2.004925      4.987823
  H       0.923368      3.575477      4.974885
  H       1.250561      1.764172      7.437007
  H       1.997706      3.378445      7.244026
  H      -1.958113      1.070065      9.320448
  H      -0.790365      0.584085      8.066073
  H      -1.385595      3.385539      9.179875
  H       0.096439      2.417806      9.382319
  C      -3.773327      4.991659      7.240558
  C      -4.743212      4.181304      6.433161
  C      -5.996562      4.542240      6.104315
  C      -6.810816      3.728539      5.204397
  N      -6.155329      2.876430      4.409348
  C      -6.883590      2.160978      3.514407
  N      -8.193435      2.221675      3.311031
  C      -8.890002      3.078538      4.116060
  C     -10.292522      3.189385      3.953406
  C     -11.018016      4.040397      4.764813
  C     -10.376312      4.804058      5.770109
  C      -9.008513      4.722298      5.947165
  C      -8.232927      3.868226      5.119971
  C      -0.381657      0.630326      4.606879
  C      -1.216626     -0.441958      5.238039
  C      -2.210643     -1.172489      4.707314
  C      -2.904045     -0.998752      3.430928
  N      -3.061031      0.233118      2.947588
  C      -3.787252      0.365149      1.804618
  N      -4.387640     -0.590496      1.106024
  C      -4.228350     -1.863447      1.575504
  C      -4.844605     -2.936833      0.885957
  C      -4.690171     -4.231628      1.345070
  C      -3.913483     -4.500120      2.500870
  C      -3.306596     -3.469652      3.194266
  C      -3.458912     -2.132517      2.756529
  C      -3.680939      0.528572      7.433608
  C      -4.902421      1.192191      8.005809
  C      -6.179594      1.077212      7.576978
  C      -6.713407      0.263011      6.483882
  N      -5.882967     -0.506701      5.778067
  C      -6.400006     -1.237709      4.759563
  N      -7.663175     -1.307096      4.369194
  C      -8.544177     -0.537426      5.071366
  C      -9.909580     -0.564519      4.696586
  C     -10.830341      0.202594      5.379384
  C     -10.418636      1.024300      6.456519
  C      -9.093544      1.069826      6.842104
  C      -8.118261      0.291405      6.166255
  H      -3.853992      6.066421      6.992314
  H      -4.036205      4.903656      8.319135
  H      -4.474476      3.154872      6.136370
  H      -6.400627      5.502366      6.434950
  H      -6.311389      1.474101      2.881811
  H     -10.767598      2.583034      3.181464
  H     -12.098786      4.124278      4.636850
  H     -10.969481      5.464428      6.404998
  H      -8.525873      5.311176      6.728404
  H       0.657030      0.252780      4.637155
  H      -0.652866      0.783932      3.548312
  H      -0.876259     -0.747223      6.234370
  H      -2.570540     -2.010616      5.309948
  H      -3.909689      1.390462      1.443137
  H      -5.433438     -2.704710     -0.002391
  H      -5.167545     -5.058020      0.815901
  H      -3.795826     -5.529630      2.842734
  H      -2.706721     -3.683731      4.079937
  H      -3.368207     -0.302539      8.093393
  H      -3.916721      0.087888      6.455421
  H      -4.718944      1.849805      8.862690
  H      -6.915381      1.674190      8.116757
  H      -5.675647     -1.837460      4.202423
  H     -10.193887     -1.200260      3.857263
  H     -11.881704      0.185220      5.086950
  H     -11.156217      1.632527      6.982206
  H      -8.806848      1.715048      7.672038
  N      -2.783623      3.086922      4.509259
  H      -3.749120      3.394895      4.306113
91
Coordinates from ORCA-job orca E -6199.899486875646
  N      -2.364543      4.550818      7.060186
  Mo     -1.965935      2.861012      6.063842
  N      -2.564990      1.472217      7.314881
  C      -1.509774      1.381158      8.364816
  C      -0.719680      2.680516      8.687802
  N      -0.128469      3.370634      7.481775
  C      -0.011282      4.843087      7.623383
  C      -1.419078      5.418738      7.761664
  C       1.144170      2.748506      6.991921
  C       0.951707      2.583577      5.484648
  N      -0.357580      1.916028      5.346425
  H      -1.468345      6.442389      7.353058
  H      -1.703539      5.492405      8.830102
  H       0.462870      5.210833      6.702661
  H       0.635665      5.107017      8.476463
  H       1.757049      2.001036      5.012677
  H       0.952469      3.575885      4.997177
  H       1.253636      1.762043      7.460035
  H       2.006720      3.373838      7.269285
  H      -1.972610      1.072926      9.316825
  H      -0.799274      0.588170      8.065455
  H      -1.394658      3.388372      9.181872
  H       0.080084      2.413151      9.397329
  C      -3.765316      5.005637      7.243652
  C      -4.744899      4.195416      6.448835
  C      -5.996560      4.563730      6.121837
  C      -6.812084      3.750357      5.222377
  N      -6.157989      2.893880      4.430488
  C      -6.886682      2.179522      3.535114
  N      -8.195062      2.248243      3.324745
  C      -8.890009      3.111641      4.123996
  C     -10.290912      3.230812      3.954678
  C     -11.015109      4.085534      4.763416
  C     -10.373735      4.844968      5.772126
  C      -9.007195      4.755536      5.955171
  C      -8.232926      3.896987      5.131273
  C      -0.376899      0.659361      4.578791
  C      -1.203458     -0.422438      5.204163
  C      -2.199309     -1.154196      4.679758
  C      -2.898750     -0.991288      3.405617
  N      -3.056642      0.234528      2.907937
  C      -3.788144      0.353114      1.766681
  N      -4.392425     -0.610487      1.082335
  C      -4.233160     -1.877449      1.567572
  C      -4.853943     -2.958526      0.894380
  C      -4.700880     -4.247491      1.370339
  C      -3.921231     -4.501903      2.527327
  C      -3.309273     -3.463482      3.204297
  C      -3.459276     -2.132364      2.748698
  C      -3.682306      0.534914      7.405575
  C      -4.906177      1.188141      7.983882
  C      -6.185163      1.058122      7.564300
  C      -6.717222      0.235440      6.476992
  N      -5.886410     -0.542063      5.779953
  C      -6.403450     -1.283186      4.768361
  N      -7.667145     -1.359865      4.381058
  C      -8.548497     -0.584012      5.075569
  C      -9.914233     -0.617408      4.702720
  C     -10.834999      0.158326      5.375825
  C     -10.422682      0.995573      6.440584
  C      -9.097135      1.047474      6.824013
  C      -8.122055      0.260112      6.158516
  H      -3.845065      6.079046      6.989523
  H      -4.016777      4.925779      8.325518
  H      -4.481337      3.168471      6.156190
  H      -6.395937      5.527366      6.446932
  H      -6.315920      1.488180      2.906685
  H     -10.765998      2.627351      3.180711
  H     -12.094655      4.175522      4.630752
  H     -10.966005      5.508376      6.404397
  H      -8.524057      5.341310      6.738224
  H       0.661784      0.281131      4.589562
  H      -0.660152      0.835651      3.526868
  H      -0.855540     -0.731469      6.196874
  H      -2.555222     -1.989912      5.287952
  H      -3.911489      1.373886      1.393453
  H      -5.445334     -2.736958      0.005235
  H      -5.181771     -5.079761      0.854078
  H      -3.805418     -5.526717      2.883195
  H      -2.707707     -3.666691      4.091216
  H      -3.371493     -0.308187      8.051131
  H      -3.912424      0.110114      6.418931
  H      -4.723668      1.849091      8.838131
  H      -6.923718      1.647057      8.108840
  H      -5.680112     -1.888828      4.216902
  H     -10.198831     -1.264704      3.872565
  H     -11.886530      0.135891      5.084955
  H     -11.159938      1.610791      6.958157
  H      -8.809895      1.705311      7.643627
  N      -2.803705      3.040784      4.521553
  H      -3.774228      3.338508      4.322177
91
Coordinates from ORCA-job orca E -6199.903884714159
  N      -2.359527      4.559643      7.044323
  Mo     -1.951393      2.858589      6.066713
  N      -2.563023      1.477561      7.312575
  C      -1.513862      1.384747      8.369087
  C      -0.726967      2.683822      8.697551
  N      -0.120516      3.372523      7.498002
  C      -0.007512      4.844962      7.636524
  C      -1.416613      5.420896      7.760204
  C       1.155431      2.746444      7.020582
  C       0.977705      2.578987      5.512499
  N      -0.335264      1.918796      5.358801
  H      -1.458324      6.446699      7.356059
  H      -1.713936      5.489873      8.825495
  H       0.474437      5.210480      6.718705
  H       0.631532      5.114129      8.494218
  H       1.784303      1.991514      5.048776
  H       0.989481      3.571040      5.024277
  H       1.259031      1.761604      7.493582
  H       2.016990      3.371484      7.302403
  H      -1.982766      1.075332      9.317738
  H      -0.801938      0.592707      8.070364
  H      -1.406152      3.393029      9.184254
  H       0.063405      2.414477      9.417190
  C      -3.760895      5.016559      7.235395
  C      -4.750452      4.202383      6.456729
  C      -5.999641      4.573206      6.124470
  C      -6.806488      3.748845      5.225761
  N      -6.142165      2.887551      4.447307
  C      -6.859978      2.160496      3.552928
  N      -8.166899      2.222030      3.330666
  C      -8.872008      3.091230      4.114822
  C     -10.271976      3.203295      3.932400
  C     -11.006460      4.061337      4.728305
  C     -10.376947      4.832001      5.736418
  C      -9.011541      4.750387      5.931444
  C      -8.226907      3.888163      5.120944
  C      -0.366465      0.687015      4.552141
  C      -1.185243     -0.407010      5.166482
  C      -2.186920     -1.134645      4.647837
  C      -2.901183     -0.971911      3.381401
  N      -3.063039      0.251954      2.880673
  C      -3.806905      0.367095      1.746487
  N      -4.418883     -0.598612      1.071735
  C      -4.256470     -1.863733      1.560881
  C      -4.886277     -2.946414      0.898347
  C      -4.731733     -4.233754      1.378370
  C      -3.941410     -4.484802      2.529022
  C      -3.320105     -3.444814      3.195200
  C      -3.471046     -2.115102      2.735271
  C      -3.679575      0.537927      7.387752
  C      -4.900771      1.176793      7.986385
  C      -6.184222      1.036956      7.583805
  C      -6.721139      0.216261      6.497519
  N      -5.895251     -0.570284      5.804555
  C      -6.417142     -1.309871      4.793495
  N      -7.680917     -1.376130      4.403860
  C      -8.556802     -0.590477      5.094328
  C      -9.922208     -0.612211      4.718805
  C     -10.837106      0.174424      5.387505
  C     -10.419126      1.011487      6.450397
  C      -9.093774      1.052417      6.836225
  C      -8.125002      0.253102      6.175717
  H      -3.839512      6.087201      6.969575
  H      -4.001990      4.950531      8.320451
  H      -4.491430      3.172921      6.174698
  H      -6.399411      5.541179      6.435881
  H      -6.280916      1.463673      2.937873
  H     -10.738297      2.590996      3.159687
  H     -12.085533      4.145318      4.586132
  H     -10.977752      5.497880      6.358347
  H      -8.536725      5.344642      6.713488
  H       0.671872      0.307765      4.539692
  H      -0.663620      0.892256      3.509477
  H      -0.827589     -0.726090      6.153110
  H      -2.536473     -1.971845      5.257981
  H      -3.933102      1.386690      1.370542
  H      -5.486040     -2.727221      0.013930
  H      -5.219644     -5.067340      0.870389
  H      -3.824927     -5.508449      2.888667
  H      -2.710702     -3.646363      4.077268
  H      -3.364902     -0.319036      8.013253
  H      -3.911256      0.132402      6.393399
  H      -4.712181      1.836969      8.840069
  H      -6.920740      1.617362      8.140489
  H      -5.698693     -1.924337      4.244740
  H     -10.211413     -1.259752      3.890098
  H     -11.888492      0.160730      5.094588
  H     -11.151690      1.635941      6.964062
  H      -8.801643      1.711894      7.653094
  N      -2.824866      2.970645      4.543958
  H      -3.801648      3.252910      4.344921
91
Coordinates from ORCA-job orca E -6199.908210871187
  N      -2.356759      4.570477      7.034546
  Mo     -1.942461      2.860229      6.071257
  N      -2.559995      1.485569      7.313067
  C      -1.515162      1.386858      8.373487
  C      -0.731043      2.685547      8.707712
  N      -0.114875      3.373908      7.513280
  C      -0.004760      4.845626      7.650213
  C      -1.414174      5.423042      7.763520
  C       1.161922      2.744478      7.043428
  C       0.995404      2.578048      5.534092
  N      -0.321436      1.926722      5.365317
  H      -1.448347      6.451559      7.365756
  H      -1.721573      5.485973      8.826205
  H       0.482635      5.209999      6.734709
  H       0.628385      5.118850      8.511188
  H       1.801956      1.985886      5.076413
  H       1.017980      3.570432      5.047248
  H       1.260205      1.760046      7.518300
  H       2.023791      3.367612      7.328612
  H      -1.987615      1.073755      9.319087
  H      -0.802557      0.596503      8.071932
  H      -1.413137      3.394978      9.190162
  H       0.052488      2.413931      9.434199
  C      -3.756851      5.030364      7.237334
  C      -4.757219      4.213752      6.475665
  C      -6.003896      4.588674      6.140144
  C      -6.805799      3.756588      5.243229
  N      -6.136449      2.885130      4.479749
  C      -6.847457      2.149712      3.587045
  N      -8.151391      2.213746      3.350316
  C      -8.861442      3.094620      4.116885
  C     -10.258876      3.209805      3.918622
  C     -10.998397      4.077618      4.698956
  C     -10.376878      4.855395      5.706521
  C      -9.013982      4.771020      5.916528
  C      -8.224318      3.898404      5.122384
  C      -0.364388      0.720692      4.520886
  C      -1.173150     -0.386153      5.125964
  C      -2.178896     -1.113352      4.614416
  C      -2.906040     -0.956462      3.354583
  N      -3.068026      0.263451      2.844560
  C      -3.822202      0.371778      1.716736
  N      -4.443341     -0.596982      1.055613
  C      -4.281476     -1.858474      1.554119
  C      -4.921640     -2.943547      0.905708
  C      -4.769189     -4.227559      1.394761
  C      -3.970442     -4.472642      2.540587
  C      -3.338457     -3.430264      3.192734
  C      -3.486691     -2.103374      2.723495
  C      -3.675248      0.544331      7.369417
  C      -4.895647      1.168187      7.983989
  C      -6.181471      1.013676      7.594791
  C      -6.716447      0.185804      6.513425
  N      -5.890600     -0.614878      5.836264
  C      -6.410479     -1.364046      4.831155
  N      -7.672131     -1.428576      4.435204
  C      -8.547753     -0.628747      5.109610
  C      -9.910619     -0.646208      4.724928
  C     -10.824373      0.157161      5.375037
  C     -10.407758      1.007394      6.427740
  C      -9.084882      1.044466      6.822351
  C      -8.117701      0.227798      6.181356
  H      -3.834629      6.098480      6.961758
  H      -3.985042      4.976277      8.325592
  H      -4.502224      3.182901      6.202885
  H      -6.401845      5.561102      6.439000
  H      -6.264566      1.443645      2.986482
  H     -10.719403      2.591777      3.147091
  H     -12.075572      4.163892      4.544895
  H     -10.981900      5.528963      6.315781
  H      -8.544504      5.370743      6.697511
  H       0.673485      0.342046      4.483019
  H      -0.677468      0.953561      3.489003
  H      -0.805706     -0.711590      6.107078
  H      -2.521414     -1.950319      5.228688
  H      -3.947729      1.388563      1.333052
  H      -5.527875     -2.728664      0.024754
  H      -5.265183     -5.062922      0.897834
  H      -3.855914     -5.493728      2.907847
  H      -2.722862     -3.628620      4.070994
  H      -3.359006     -0.327101      7.974027
  H      -3.906207      0.160298      6.366658
  H      -4.704564      1.830811      8.835017
  H      -6.919526      1.585585      8.158013
  H      -5.693155     -1.990816      4.295022
  H     -10.198779     -1.303700      3.903806
  H     -11.873633      0.146732      5.074762
  H     -11.139086      1.645490      6.926007
  H      -8.793253      1.715535      7.629840
  N      -2.852984      2.914685      4.568549
  H      -3.834195      3.180004      4.360063
91
Coordinates from ORCA-job orca E -6199.912491611072
  N      -2.357343      4.577652      7.025539
  Mo     -1.933038      2.861803      6.071897
  N      -2.554960      1.489748      7.308117
  C      -1.514892      1.382621      8.372740
  C      -0.736082      2.680455      8.717158
  N      -0.111584      3.372700      7.529438
  C      -0.006945      4.843645      7.669178
  C      -1.417594      5.420040      7.772116
  C       1.167358      2.743770      7.065658
  C       1.014056      2.582544      5.554731
  N      -0.304993      1.938900      5.367690
  H      -1.444993      6.452640      7.384397
  H      -1.736791      5.472947      8.831851
  H       0.486558      5.210352      6.757690
  H       0.618771      5.119351      8.535009
  H       1.821794      1.987462      5.102972
  H       1.046830      3.576417      5.071498
  H       1.261555      1.758347      7.539327
  H       2.028336      3.365463      7.357046
  H      -1.991115      1.061715      9.313804
  H      -0.800120      0.596002      8.066334
  H      -1.422441      3.387740      9.197021
  H       0.041166      2.406314      9.449767
  C      -3.757312      5.038315      7.236657
  C      -4.765331      4.219403      6.487700
  C      -6.008700      4.597127      6.144698
  C      -6.801350      3.757510      5.245185
  N      -6.123049      2.880699      4.495048
  C      -6.823541      2.137383      3.600524
  N      -8.124362      2.199612      3.348144
  C      -8.843146      3.086848      4.099074
  C     -10.238405      3.199577      3.884564
  C     -10.987143      4.070999      4.651801
  C     -10.377589      4.855379      5.661749
  C      -9.017083      4.773748      5.887139
  C      -8.218165      3.897047      5.106860
  C      -0.355604      0.757917      4.488558
  C      -1.150999     -0.363055      5.085441
  C      -2.160542     -1.090293      4.581726
  C      -2.901639     -0.937121      3.329371
  N      -3.061534      0.279176      2.810306
  C      -3.827278      0.382687      1.689827
  N      -4.461107     -0.587567      1.043609
  C      -4.302279     -1.845656      1.551733
  C      -4.956607     -2.931698      0.919142
  C      -4.808823     -4.212435      1.417782
  C      -4.000588     -4.453192      2.557765
  C      -3.354268     -3.409914      3.194149
  C      -3.496906     -2.085917      2.714734
  C      -3.667814      0.544812      7.344882
  C      -4.885415      1.149512      7.983114
  C      -6.175655      0.983066      7.613581
  C      -6.717277      0.155155      6.535694
  N      -5.898301     -0.657087      5.863522
  C      -6.425202     -1.406265      4.861590
  N      -7.687232     -1.460788      4.465759
  C      -8.555472     -0.648888      5.135295
  C      -9.918017     -0.653333      4.748881
  C     -10.823399      0.165001      5.392063
  C     -10.398571      1.017848      6.439300
  C      -9.075817      1.042574      6.835413
  C      -8.117532      0.209939      6.201830
  H      -3.835009      6.104389      6.953540
  H      -3.975605      4.993222      8.327120
  H      -4.512120      3.187735      6.223439
  H      -6.407227      5.572770      6.431673
  H      -6.233735      1.425823      3.013321
  H     -10.690069      2.576159      3.111984
  H     -12.062756      4.155147      4.485546
  H     -10.990126      5.531799      6.260359
  H      -8.556171      5.378174      6.669675
  H       0.682842      0.384109      4.425503
  H      -0.685891      1.015427      3.468300
  H      -0.772563     -0.693819      6.060829
  H      -2.495188     -1.927703      5.199798
  H      -3.950091      1.396942      1.298290
  H      -5.570224     -2.719915      0.042458
  H      -5.315977     -5.048475      0.933240
  H      -3.890190     -5.471819      2.933244
  H      -2.731830     -3.606093      4.068086
  H      -3.346727     -0.342608      7.923385
  H      -3.901185      0.186097      6.333421
  H      -4.688029      1.810235      8.834153
  H      -6.911022      1.544555      8.190772
  H      -5.714479     -2.043007      4.328209
  H     -10.212652     -1.312845      3.931555
  H     -11.872354      0.164528      5.090231
  H     -11.123143      1.668280      6.931642
  H      -8.777095      1.717296      7.637408
  N      -2.878174      2.866040      4.594515
  H      -3.863559      3.112760      4.374682
91
Coordinates from ORCA-job orca E -6199.916707653981
  N      -2.355434      4.587210      7.015863
  Mo     -1.923982      2.863303      6.075170
  N      -2.548605      1.497187      7.310989
  C      -1.514079      1.382263      8.379647
  C      -0.739940      2.679689      8.730446
  N      -0.108389      3.371053      7.546886
  C      -0.006653      4.841215      7.685285
  C      -1.417337      5.419204      7.777695
  C       1.170933      2.739635      7.089793
  C       1.030263      2.582585      5.577306
  N      -0.291172      1.948535      5.371686
  H      -1.436484      6.455050      7.398160
  H      -1.747417      5.464916      8.834324
  H       0.492913      5.207146      6.776658
  H       0.612529      5.120622      8.554792
  H       1.838128      1.982884      5.132047
  H       1.074832      3.577323      5.097136
  H       1.259343      1.753459      7.562925
  H       2.032142      3.358458      7.386776
  H      -1.994443      1.056272      9.316800
  H      -0.798037      0.597733      8.070684
  H      -1.429749      3.386848      9.205700
  H       0.031632      2.405391      9.469218
  C      -3.754196      5.051278      7.233168
  C      -4.770407      4.228680      6.499866
  C      -6.009661      4.609234      6.147047
  C      -6.794211      3.758128      5.250171
  N      -6.108241      2.869737      4.519869
  C      -6.798995      2.112992      3.629466
  N      -8.096089      2.173081      3.360949
  C      -8.822414      3.073087      4.089166
  C     -10.214851      3.183852      3.856784
  C     -10.971515      4.065999      4.603363
  C     -10.373236      4.863573      5.609625
  C      -9.015680      4.784192      5.851866
  C      -8.208790      3.896408      5.092935
  C      -0.350241      0.793576      4.458330
  C      -1.135030     -0.341376      5.043571
  C      -2.150336     -1.065713      4.546418
  C      -2.906004     -0.911920      3.302850
  N      -3.055381      0.302038      2.775110
  C      -3.833581      0.407311      1.663960
  N      -4.488875     -0.558505      1.034036
  C      -4.342010     -1.814547      1.550721
  C      -5.020499     -2.895120      0.934600
  C      -4.886416     -4.173991      1.440966
  C      -4.067887     -4.418384      2.572362
  C      -3.397648     -3.380661      3.192584
  C      -3.525585     -2.057729      2.705259
  C      -3.661061      0.552423      7.330611
  C      -4.875826      1.141020      7.987902
  C      -6.168017      0.959461      7.633678
  C      -6.706391      0.123577      6.560978
  N      -5.886066     -0.703098      5.907729
  C      -6.409387     -1.465012      4.913660
  N      -7.668684     -1.520034      4.510481
  C      -8.537909     -0.693332      5.160644
  C      -9.897540     -0.696618      4.764238
  C     -10.802731      0.138370      5.385784
  C     -10.380813      1.007384      6.420539
  C      -9.061044      1.031186      6.826362
  C      -8.103493      0.181218      6.215482
  H      -3.830647      6.114394      6.939200
  H      -3.962985      5.018658      8.325626
  H      -4.519845      3.195013      6.248203
  H      -6.407501      5.589752      6.417109
  H      -6.203210      1.391462      3.060754
  H     -10.658188      2.549978      3.087970
  H     -12.045031      4.148446      4.423704
  H     -10.992255      5.548245      6.191802
  H      -8.562856      5.398523      6.631286
  H       0.687774      0.423526      4.370353
  H      -0.696405      1.077122      3.450801
  H      -0.747014     -0.679584      6.012640
  H      -2.478823     -1.903669      5.166782
  H      -3.946100      1.419847      1.264899
  H      -5.641649     -2.680390      0.064045
  H      -5.412306     -5.005673      0.969226
  H      -3.968542     -5.435651      2.954384
  H      -2.767734     -3.581601      4.059807
  H      -3.338080     -0.349551      7.885209
  H      -3.896710      0.217764      6.311887
  H      -4.674750      1.803750      8.836317
  H      -6.904815      1.510611      8.218848
  H      -5.698771     -2.114758      4.395791
  H     -10.190050     -1.368447      3.956298
  H     -11.849252      0.138762      5.075873
  H     -11.104964      1.671317      6.895009
  H      -8.763886      1.719383      7.617379
  N      -2.903648      2.819360      4.623860
  H      -3.891880      3.045620      4.387391
91
Coordinates from ORCA-job orca E -6199.920618322616
  N      -2.358610      4.591924      7.008723
  Mo     -1.915612      2.866381      6.072454
  N      -2.541130      1.498212      7.300765
  C      -1.512598      1.370662      8.373370
  C      -0.746806      2.667663      8.739227
  N      -0.110105      3.366554      7.564080
  C      -0.014365      4.835493      7.708908
  C      -1.426043      5.411465      7.791804
  C       1.171649      2.738658      7.111062
  C       1.045775      2.592816      5.596332
  N      -0.275597      1.966129      5.368360
  H      -1.438784      6.452456      7.426069
  H      -1.768888      5.443705      8.844851
  H       0.491820      5.206504      6.805832
  H       0.596478      5.115167      8.584405
  H       1.855682      1.992074      5.156219
  H       1.100312      3.590514      5.123412
  H       1.256461      1.749426      7.578466
  H       2.031281      3.355149      7.417755
  H      -1.996998      1.032758      9.304190
  H      -0.793354      0.591536      8.057848
  H      -1.442276      3.369964      9.213720
  H       0.019721      2.391152      9.482732
  C      -3.757495      5.055882      7.229521
  C      -4.777963      4.231380      6.504752
  C      -6.012676      4.614796      6.140480
  C      -6.787994      3.756852      5.240670
  N      -6.093905      2.865204      4.521153
  C      -6.775310      2.100760      3.630200
  N      -8.069603      2.156633      3.349894
  C      -8.803794      3.060687      4.064970
  C     -10.194604      3.166203      3.820599
  C     -10.959677      4.049931      4.556340
  C     -10.371939      4.854745      5.563174
  C      -9.016304      4.780629      5.816788
  C      -8.200997      3.890993      5.069243
  C      -0.336285      0.833886      4.426654
  C      -1.104841     -0.315418      5.005181
  C      -2.123007     -1.041189      4.516230
  C      -2.891641     -0.890264      3.280140
  N      -3.030625      0.319096      2.738891
  C      -3.820439      0.421833      1.635993
  N      -4.496566     -0.541983      1.026146
  C      -4.361217     -1.793591      1.556789
  C      -5.062790     -2.871440      0.962007
  C      -4.941348     -4.145875      1.482014
  C      -4.112519     -4.388654      2.606073
  C      -3.419560     -3.353687      3.205326
  C      -3.534071     -2.034687      2.703915
  C      -3.650992      0.549865      7.299570
  C      -4.861689      1.116630      7.982889
  C      -6.158079      0.924782      7.649763
  C      -6.705889      0.092369      6.579230
  N      -5.894435     -0.743324      5.925814
  C      -6.428391     -1.503097      4.935321
  N      -7.689306     -1.547653      4.536806
  C      -8.548762     -0.710555      5.186636
  C      -9.909277     -0.700132      4.793176
  C     -10.803389      0.148542      5.412179
  C     -10.369369      1.018173      6.441280
  C      -9.048613      1.028567      6.844390
  C      -8.102738      0.163763      6.236395
  H      -3.833909      6.117339      6.929939
  H      -3.960287      5.029631      8.323013
  H      -4.527377      3.197202      6.261984
  H      -6.411065      5.598190      6.398653
  H      -6.173320      1.375695      3.072679
  H     -10.630096      2.526480      3.052019
  H     -12.032050      4.128084      4.367750
  H     -10.997783      5.540544      6.136758
  H      -8.571111      5.399936      6.596727
  H       0.703203      0.473904      4.316131
  H      -0.699640      1.135901      3.431146
  H      -0.706128     -0.655992      5.969211
  H      -2.443589     -1.879430      5.140272
  H      -3.922836      1.430870      1.225110
  H      -5.691542     -2.657883      0.096553
  H      -5.485271     -4.975308      1.026905
  H      -4.023460     -5.402615      2.999425
  H      -2.782340     -3.554390      4.067259
  H      -3.322765     -0.368068      7.824263
  H      -3.890626      0.243879      6.272864
  H      -4.653258      1.774652      8.833159
  H      -6.890305      1.463298      8.252354
  H      -5.726254     -2.160698      4.415723
  H     -10.211287     -1.372285      3.988898
  H     -11.850504      0.159521      5.104226
  H     -11.084659      1.693590      6.913148
  H      -8.741216      1.718567      7.630072
  N      -2.922871      2.784829      4.646081
  H      -3.913440      2.989495      4.392068
91
Coordinates from ORCA-job orca E -6199.924509820319
  N      -2.357359      4.598442      6.997298
  Mo     -1.905244      2.865656      6.074884
  N      -2.531485      1.502655      7.305605
  C      -1.510708      1.368446      8.383409
  C      -0.752158      2.665542      8.755367
  N      -0.109988      3.362264      7.583433
  C      -0.017431      4.830728      7.725889
  C      -1.429188      5.407858      7.796899
  C       1.172747      2.733250      7.137895
  C       1.061817      2.593760      5.621580
  N      -0.259732      1.976188      5.371823
  H      -1.433917      6.451986      7.439789
  H      -1.783968      5.432944      8.846120
  H       0.495767      5.200602      6.826180
  H       0.585911      5.114360      8.605458
  H       1.872838      1.989184      5.188844
  H       1.128486      3.592715      5.153188
  H       1.251753      1.742483      7.602975
  H       2.031687      3.346644      7.452873
  H      -2.000459      1.025403      9.309532
  H      -0.788785      0.591779      8.067725
  H      -1.452510      3.367352      9.223501
  H       0.009189      2.391881      9.505454
  C      -3.755894      5.065178      7.216487
  C      -4.780574      4.234074      6.505644
  C      -6.009799      4.618100      6.125289
  C      -6.775938      3.745192      5.230876
  N      -6.073929      2.840364      4.534733
  C      -6.745016      2.059250      3.650863
  N      -8.035247      2.110360      3.354595
  C      -8.777254      3.028306      4.043542
  C     -10.164975      3.129438      3.780990
  C     -10.938329      4.025644      4.492161
  C     -10.362470      4.847923      5.491619
  C      -9.010076      4.778473      5.762293
  C      -8.186419      3.876114      5.039960
  C      -0.323292      0.868594      4.400405
  C      -1.081765     -0.295422      4.963789
  C      -2.106594     -1.015854      4.479270
  C      -2.890804     -0.856796      3.254014
  N      -3.010078      0.351597      2.705407
  C      -3.815073      0.465574      1.615424
  N      -4.524460     -0.485208      1.024780
  C      -4.410603     -1.736062      1.562172
  C      -5.149224     -2.799325      0.986452
  C      -5.050884     -4.073145      1.511763
  C      -4.208524     -4.330168      2.622021
  C      -3.479475     -3.309831      3.202910
  C      -3.569681     -1.990386      2.696320
  C      -3.641531      0.555671      7.290210
  C      -4.847944      1.106788      7.992898
  C      -6.145779      0.900962      7.675718
  C      -6.691362      0.061349      6.610206
  N      -5.878931     -0.786268      5.973018
  C      -6.410996     -1.559254      4.991918
  N      -7.670107     -1.606098      4.589315
  C      -8.529736     -0.755423      5.221378
  C      -9.888226     -0.745465      4.821063
  C     -10.781214      0.118241      5.420412
  C     -10.348334      1.004003      6.435883
  C      -9.029772      1.014840      6.845840
  C      -8.085629      0.134258      6.258539
  H      -3.831306      6.122901      6.904026
  H      -3.954314      5.052779      8.310744
  H      -4.531124      3.196840      6.280236
  H      -6.407770      5.606929      6.361788
  H      -6.136578      1.323691      3.114280
  H     -10.591636      2.476155      3.018958
  H     -12.008398      4.100273      4.289882
  H     -10.995028      5.543341      6.045794
  H      -8.573600      5.411102      6.536342
  H       0.716149      0.515534      4.268652
  H      -0.700096      1.193766      3.417907
  H      -0.674512     -0.645546      5.920744
  H      -2.421722     -1.856613      5.102332
  H      -3.899032      1.473599      1.198006
  H      -5.787525     -2.574848      0.130881
  H      -5.623430     -4.891127      1.071423
  H      -4.137804     -5.343783      3.019819
  H      -2.832541     -3.523888      4.054062
  H      -3.311552     -0.375086      7.790763
  H      -3.885454      0.273844      6.258150
  H      -4.635120      1.766051      8.840957
  H      -6.878309      1.428414      8.287633
  H      -5.709531     -2.228618      4.486372
  H     -10.189536     -1.429863      4.026970
  H     -11.826593      0.128860      5.106815
  H     -11.062519      1.691696      6.891274
  H      -8.722444      1.717974      7.619824
  N      -2.941876      2.743886      4.676195
  H      -3.933994      2.925985      4.404837
91
Coordinates from ORCA-job orca E -6199.928061484330
  N      -2.361576      4.599597      6.988748
  Mo     -1.896915      2.865108      6.073091
  N      -2.520863      1.500395      7.300493
  C      -1.507044      1.355993      8.382039
  C      -0.759197      2.653739      8.766611
  N      -0.114760      3.355694      7.601027
  C      -0.028389      4.823285      7.747328
  C      -1.441065      5.397906      7.808484
  C       1.170694      2.731217      7.159919
  C       1.075240      2.603727      5.641684
  N      -0.244261      1.992718      5.368501
  H      -1.440394      6.446498      7.464357
  H      -1.808318      5.410766      8.853625
  H       0.491243      5.197036      6.852780
  H       0.566603      5.108220      8.632302
  H       1.888984      1.998778      5.214532
  H       1.151453      3.605678      5.181313
  H       1.246684      1.737102      7.618316
  H       2.027280      3.342342      7.485894
  H      -2.000755      1.001945      9.301914
  H      -0.780835      0.584897      8.062107
  H      -1.466285      3.350566      9.232274
  H      -0.001612      2.381605      9.521312
  C      -3.760766      5.065695      7.205051
  C      -4.786562      4.229031      6.502974
  C      -6.010221      4.613551      6.106305
  C      -6.767340      3.730092      5.213319
  N      -6.058331      2.817077      4.534180
  C      -6.720262      2.024931      3.653429
  N      -8.006856      2.072105      3.343714
  C      -8.755690      2.998694      4.013343
  C     -10.140754      3.095859      3.735852
  C     -10.921439      3.999649      4.428787
  C     -10.355976      4.834025      5.424174
  C      -9.006453      4.768525      5.709082
  C      -8.175432      3.858279      5.005606
  C      -0.305323      0.907106      4.371934
  C      -1.047272     -0.272515      4.924813
  C      -2.075523     -0.992468      4.446319
  C      -2.875281     -0.828198      3.231829
  N      -2.978796      0.377635      2.673817
  C      -3.799930      0.499439      1.597388
  N      -4.540138     -0.440499      1.028711
  C      -4.442995     -1.689023      1.574887
  C      -5.215187     -2.740303      1.021597
  C      -5.134375     -4.011872      1.554519
  C      -4.276312     -4.278858      2.650018
  C      -3.514890     -3.270367      3.209372
  C      -3.586554     -1.952505      2.695130
  C      -3.629554      0.552117      7.269767
  C      -4.830239      1.084160      7.996627
  C      -6.131143      0.868801      7.699461
  C      -6.684689      0.030567      6.637087
  N      -5.879571     -0.826393      6.002670
  C      -6.420510     -1.600937      5.027460
  N      -7.680715     -1.639976      4.628483
  C      -8.531851     -0.777433      5.256025
  C      -9.890561     -0.756123      4.856767
  C     -10.773545      0.122319      5.449382
  C     -10.330406      1.012030      6.456794
  C      -9.011673      1.011458      6.866189
  C      -8.078146      0.115118      6.286055
  H      -3.836752      6.120703      6.884006
  H      -3.957084      5.062184      8.299513
  H      -4.536102      3.189993      6.292146
  H      -6.408093      5.606358      6.325283
  H      -6.106268      1.282868      3.132360
  H     -10.559626      2.433273      2.977484
  H     -11.989538      4.071172      4.215155
  H     -10.994444      5.535356      5.963958
  H      -8.577667      5.410168      6.480019
  H       0.735719      0.566967      4.220065
  H      -0.697887      1.248839      3.401939
  H      -0.629017     -0.628238      5.875013
  H      -2.381505     -1.836939      5.068714
  H      -3.868777      1.505169      1.171558
  H      -5.864739     -2.508232      0.176554
  H      -5.732806     -4.820461      1.131541
  H      -4.219566     -5.290859      3.054178
  H      -2.856759     -3.493507      4.049493
  H      -3.295299     -0.391624      7.742496
  H      -3.879809      0.296600      6.232522
  H      -4.609824      1.740131      8.845249
  H      -6.858878      1.384976      8.326668
  H      -5.726436     -2.279504      4.523930
  H     -10.199933     -1.443327      4.068160
  H     -11.818929      0.141875      5.136131
  H     -11.036528      1.712093      6.905958
  H      -8.695427      1.718563      7.633050
  N      -2.957603      2.711352      4.699262
  H      -3.950943      2.870400      4.411590
91
Coordinates from ORCA-job orca E -6199.931575976047
  N      -2.366536      4.598625      6.977872
  Mo     -1.889732      2.860723      6.072681
  N      -2.509200      1.496252      7.301259
  C      -1.502903      1.344585      8.386671
  C      -0.766634      2.643854      8.780072
  N      -0.121391      3.347423      7.618324
  C      -0.040673      4.814505      7.764786
  C      -1.454005      5.386949      7.815958
  C       1.166435      2.726816      7.182267
  C       1.086376      2.610661      5.662516
  N      -0.230387      2.006344      5.365751
  H      -1.448159      6.439347      7.483345
  H      -1.833067      5.389411      8.856949
  H       0.484931      5.189921      6.874311
  H       0.546599      5.102417      8.654077
  H       1.902797      2.004983      5.241428
  H       1.172342      3.615270      5.209910
  H       1.239347      1.729607      7.634376
  H       2.020616      3.335561      7.519148
  H      -2.000587      0.981763      9.301002
  H      -0.772068      0.578407      8.065109
  H      -1.480755      3.336719      9.241064
  H      -0.012185      2.376415      9.539810
  C      -3.766206      5.064639      7.188688
  C      -4.792731      4.220183      6.497829
  C      -6.009886      4.604624      6.082067
  C      -6.759630      3.709071      5.193832
  N      -6.045752      2.784177      4.535238
  C      -6.700011      1.980272      3.659690
  N      -7.982375      2.025758      3.335562
  C      -8.735890      2.964655      3.982288
  C     -10.117463      3.060919      3.687940
  C     -10.903338      3.976673      4.358456
  C     -10.346850      4.824546      5.347409
  C      -9.000917      4.760044      5.648317
  C      -8.164662      3.837454      4.967897
  C      -0.288012      0.943618      4.344035
  C      -1.012089     -0.253439      4.883545
  C      -2.044168     -0.972206      4.410287
  C      -2.862570     -0.798031      3.209777
  N      -2.951628      0.407152      2.647118
  C      -3.792186      0.542081      1.588219
  N      -4.565732     -0.383078      1.041489
  C      -4.483663     -1.631313      1.590825
  C      -5.291217     -2.666781      1.058672
  C      -5.225219     -3.938555      1.592190
  C      -4.346897     -4.221874      2.666926
  C      -3.551859     -3.228884      3.206560
  C      -3.607789     -1.909975      2.692086
  C      -3.617925      0.548741      7.260392
  C      -4.811715      1.065399      8.009249
  C      -6.114744      0.841291      7.730105
  C      -6.672864      0.003388      6.670156
  N      -5.872136     -0.862860      6.042448
  C      -6.418218     -1.642028      5.073824
  N      -7.678409     -1.676286      4.675583
  C      -8.523919     -0.801724      5.294243
  C      -9.881871     -0.772570      4.892876
  C     -10.757709      0.119958      5.474770
  C     -10.308318      1.016411      6.473198
  C      -8.990477      1.007890      6.885125
  C      -8.064687      0.096636      6.316215
  H      -3.842798      6.115869      6.855948
  H      -3.961294      5.073169      8.283102
  H      -4.541835      3.178056      6.306613
  H      -6.405736      5.602707      6.279158
  H      -6.082144      1.229299      3.156299
  H     -10.529619      2.388023      2.935004
  H     -11.968802      4.047567      4.131940
  H     -10.989514      5.535324      5.869509
  H      -8.578837      5.412045      6.414204
  H       0.754549      0.618412      4.171270
  H      -0.697238      1.302356      3.387862
  H      -0.580949     -0.617821      5.824650
  H      -2.338605     -1.823401      5.028749
  H      -3.846610      1.546673      1.157688
  H      -5.955098     -2.422374      0.228396
  H      -5.850597     -4.734889      1.185315
  H      -4.301751     -5.234222      3.071637
  H      -2.879304     -3.466276      4.031074
  H      -3.280625     -0.405989      7.708290
  H      -3.875996      0.316303      6.219845
  H      -4.583872      1.719583      8.857206
  H      -6.838691      1.346978      8.370215
  H      -5.729312     -2.330462      4.576528
  H     -10.196267     -1.464755      4.110643
  H     -11.802303      0.145754      5.159407
  H     -11.008645      1.728175      6.912926
  H      -8.668379      1.720742      7.644258
  N      -2.975352      2.673917      4.726139
  H      -3.969680      2.808659      4.423872
91
Coordinates from ORCA-job orca E -6199.934861722108
  N      -2.374783      4.595147      6.967578
  Mo     -1.886018      2.855912      6.070007
  N      -2.498373      1.489196      7.297998
  C      -1.499222      1.328747      8.386576
  C      -0.775569      2.629896      8.790582
  N      -0.131862      3.337306      7.633093
  C      -0.057112      4.803680      7.781319
  C      -1.470949      5.372984      7.824313
  C       1.158426      2.722445      7.199853
  C       1.092996      2.620490      5.678620
  N      -0.220237      2.022408      5.358058
  H      -1.461145      6.429498      7.504747
  H      -1.861186      5.363376      8.861126
  H       0.473509      5.182085      6.894985
  H       0.523004      5.093667      8.674741
  H       1.912419      2.015429      5.262367
  H       1.187519      3.628475      5.235508
  H       1.229404      1.721275      7.643416
  H       2.010006      3.328543      7.548231
  H      -2.000083      0.955341      9.294916
  H      -0.763434      0.568410      8.062138
  H      -1.497200      3.317119      9.248484
  H      -0.023273      2.366933      9.554238
  C      -3.774631      5.060711      7.173448
  C      -4.801739      4.209731      6.492651
  C      -6.011826      4.595988      6.058499
  C      -6.757803      3.692664      5.174135
  N      -6.042687      2.758197      4.529862
  C      -6.693383      1.948185      3.657451
  N      -7.972403      1.995110      3.323350
  C      -8.727041      2.943543      3.954333
  C     -10.105979      3.041526      3.648652
  C     -10.893506      3.966490      4.303892
  C     -10.341363      4.822423      5.288255
  C      -8.998109      4.756231      5.599884
  C      -8.160227      3.823965      4.935244
  C      -0.271786      0.979625      4.315311
  C      -0.973027     -0.234917      4.845905
  C      -2.006400     -0.956535      4.379167
  C      -2.841506     -0.776305      3.191310
  N      -2.918690      0.426482      2.621030
  C      -3.776021      0.570021      1.577642
  N      -4.578025     -0.343274      1.053646
  C      -4.507654     -1.589655      1.608884
  C      -5.344235     -2.612907      1.098450
  C      -5.288186     -3.883699      1.634633
  C      -4.391060     -4.178540      2.690231
  C      -3.569048     -3.197196      3.210032
  C      -3.614456     -1.878641      2.693204
  C      -3.606467      0.541369      7.247122
  C      -4.793378      1.042206      8.017358
  C      -6.098575      0.811981      7.755409
  C      -6.664036     -0.021037      6.695668
  N      -5.870129     -0.894551      6.068978
  C      -6.424693     -1.673269      5.104779
  N      -7.685792     -1.699443      4.709975
  C      -8.523069     -0.814674      5.325433
  C      -9.881000     -0.773935      4.924943
  C     -10.746995      0.131200      5.501887
  C     -10.287852      1.029144      6.494331
  C      -8.970106      1.009005      6.905888
  C      -8.054731      0.084255      6.342166
  H      -3.851985      6.108519      6.830656
  H      -3.968420      5.079617      8.267736
  H      -4.550679      3.164863      6.320905
  H      -6.403166      5.599467      6.235885
  H      -6.074728      1.190505      3.165543
  H     -10.514856      2.362450      2.899498
  H     -11.956975      4.038795      4.068716
  H     -10.985361      5.540596      5.798396
  H      -8.579322      5.414365      6.362293
  H       0.772950      0.673602      4.122086
  H      -0.700119      1.349447      3.372544
  H      -0.527151     -0.604190      5.778178
  H      -2.287595     -1.814272      4.994431
  H      -3.818240      1.571980      1.139634
  H      -6.021215     -2.360056      0.281407
  H      -5.935425     -4.670648      1.244080
  H      -4.353511     -5.190382      3.096941
  H      -2.883366     -3.444225      4.020709
  H      -3.265696     -0.423264      7.670463
  H      -3.872172      0.330925      6.203795
  H      -4.557858      1.692636      8.866038
  H      -6.817345      1.307185      8.409504
  H      -5.743062     -2.369877      4.608896
  H     -10.203117     -1.467003      4.146653
  H     -11.791356      0.166154      5.186708
  H     -10.980288      1.751488      6.929278
  H      -8.639363      1.723548      7.659759
  N      -2.995334      2.639827      4.750132
  H      -3.990339      2.750067      4.434768
91
Coordinates from ORCA-job orca E -6199.938004706838
  N      -2.382010      4.591693      6.956026
  Mo     -1.883125      2.849765      6.068516
  N      -2.487177      1.482471      7.299069
  C      -1.496039      1.315067      8.391421
  C      -0.784400      2.618004      8.802972
  N      -0.142896      3.325990      7.647474
  C      -0.072339      4.792011      7.794579
  C      -1.486107      5.359686      7.829387
  C       1.149060      2.715367      7.217201
  C       1.097889      2.627423      5.694878
  N      -0.211848      2.037073      5.350600
  H      -1.471883      6.419632      7.521187
  H      -1.886653      5.340240      8.862107
  H       0.463066      5.171158      6.911364
  H       0.501600      5.084888      8.691131
  H       1.919766      2.022182      5.283626
  H       1.201818      3.638472      5.261216
  H       1.217289      1.710337      7.652313
  H       1.998605      3.317879      7.576874
  H      -2.000597      0.933213      9.294206
  H      -0.755475      0.559521      8.066448
  H      -1.513131      3.300849      9.256265
  H      -0.033921      2.361279      9.570711
  C      -3.781486      5.058637      7.155049
  C      -4.809502      4.200507      6.485851
  C      -6.011361      4.588937      6.031594
  C      -6.755299      3.676983      5.153895
  N      -6.040217      2.730929      4.526113
  C      -6.688364      1.914196      3.658294
  N      -7.963994      1.963179      3.314474
  C      -8.718717      2.922349      3.928646
  C     -10.095103      3.022085      3.612479
  C     -10.883329      3.957227      4.251702
  C     -10.334383      4.822220      5.229792
  C      -8.993643      4.754505      5.551060
  C      -8.155124      3.811586      4.902930
  C      -0.257018      1.013494      4.288187
  C      -0.935815     -0.218651      4.808200
  C      -1.971211     -0.942109      4.347382
  C      -2.823427     -0.753599      3.173207
  N      -2.886759      0.446885      2.595608
  C      -3.760849      0.601785      1.568817
  N      -4.593275     -0.296653      1.068563
  C      -4.536748     -1.541368      1.629026
  C      -5.404450     -2.549352      1.140829
  C      -5.360775     -3.819518      1.678710
  C      -4.445554     -4.129247      2.713888
  C      -3.594666     -3.162462      3.213696
  C      -3.626616     -1.843850      2.695247
  C      -3.595052      0.535135      7.240454
  C      -4.775938      1.022156      8.028395
  C      -6.082207      0.785244      7.780359
  C      -6.651052     -0.044915      6.720347
  N      -5.860592     -0.924507      6.097496
  C      -6.419565     -1.705580      5.137914
  N      -7.680713     -1.727652      4.744221
  C      -8.513197     -0.833907      5.353428
  C      -9.870458     -0.786128      4.951469
  C     -10.730100      0.129709      5.520749
  C     -10.265477      1.031746      6.506694
  C      -8.948531      1.004558      6.920045
  C      -8.040065      0.068361      6.364377
  H      -3.858569      6.102268      6.800061
  H      -3.974838      5.090292      8.248908
  H      -4.559636      3.151998      6.337638
  H      -6.395900      5.598784      6.186006
  H      -6.069862      1.148695      3.178719
  H     -10.501535      2.336015      2.868452
  H     -11.944859      4.030905      4.008612
  H     -10.978919      5.548512      5.727463
  H      -8.577389      5.419614      6.308710
  H       0.789401      0.727217      4.075212
  H      -0.704284      1.393572      3.359141
  H      -0.475220     -0.594081      5.730678
  H      -2.239564     -1.806881      4.958076
  H      -3.789020      1.600841      1.123273
  H      -6.094085     -2.285555      0.338031
  H      -6.031394     -4.594766      1.304728
  H      -4.417470     -5.140916      3.121656
  H      -2.896442     -3.421931      4.009487
  H      -3.251735     -0.437636      7.642481
  H      -3.867539      0.343831      6.195254
  H      -4.534658      1.670000      8.877341
  H      -6.797769      1.270704      8.445232
  H      -5.742331     -2.409618      4.646477
  H     -10.197019     -1.482047      4.177654
  H     -11.773724      0.170243      5.204023
  H     -10.952793      1.762975      6.934751
  H      -8.612402      1.722632      7.668162
  N      -3.015948      2.606238      4.776414
  H      -4.011226      2.692932      4.450167
91
Coordinates from ORCA-job orca E -6199.940983562111
  N      -2.390896      4.585809      6.944874
  Mo     -1.882142      2.842522      6.065748
  N      -2.477166      1.472855      7.297785
  C      -1.495062      1.298030      8.394284
  C      -0.795702      2.602234      8.814284
  N      -0.157058      3.311444      7.661028
  C      -0.090161      4.777029      7.808175
  C      -1.503586      5.343083      7.835462
  C       1.136730      2.705989      7.233040
  C       1.100246      2.634880      5.709940
  N      -0.205336      2.053292      5.340912
  H      -1.485156      6.406622      7.539708
  H      -1.914323      5.312952      8.863894
  H       0.450050      5.157545      6.928406
  H       0.477772      5.071657      8.708044
  H       1.924586      2.029947      5.303055
  H       1.213782      3.649565      5.287526
  H       1.202187      1.696309      7.657645
  H       1.984031      3.304040      7.605586
  H      -2.003953      0.907240      9.290819
  H      -0.749458      0.547334      8.069356
  H      -1.531755      3.280161      9.263266
  H      -0.046752      2.351868      9.585775
  C      -3.789708      5.054628      7.135291
  C      -4.817993      4.190338      6.475971
  C      -6.010383      4.581799      6.000250
  C      -6.753974      3.662198      5.129875
  N      -6.040461      2.704623      4.517436
  C      -6.687773      1.882370      3.654364
  N      -7.960383      1.934350      3.302506
  C      -8.713801      2.903714      3.901854
  C     -10.088063      3.005889      3.577451
  C     -10.875497      3.950832      4.202587
  C     -10.327707      4.823895      5.174039
  C      -8.989002      4.754077      5.502610
  C      -8.151404      3.800852      4.869027
  C      -0.243400      1.049618      4.259380
  C      -0.893799     -0.201925      4.769861
  C      -1.929492     -0.930292      4.316374
  C      -2.802195     -0.733693      3.158846
  N      -2.860354      0.466019      2.578215
  C      -3.752476      0.630446      1.569464
  N      -4.608810     -0.256430      1.090739
  C      -4.557013     -1.501060      1.651832
  C      -5.447255     -2.498070      1.182139
  C      -5.405343     -3.769707      1.715833
  C      -4.469717     -4.092063      2.728292
  C      -3.598434     -3.135523      3.211964
  C      -3.627899     -1.814934      2.697976
  C      -3.585236      0.526279      7.231512
  C      -4.758963      1.000664      8.037655
  C      -6.067000      0.760463      7.804440
  C      -6.643713     -0.064354      6.744546
  N      -5.860532     -0.950563      6.121623
  C      -6.428557     -1.730956      5.166922
  N      -7.690948     -1.745469      4.778034
  C      -8.514788     -0.842141      5.385050
  C      -9.872532     -0.783940      4.986081
  C     -10.722019      0.143269      5.551967
  C     -10.246796      1.046803      6.531281
  C      -8.929442      1.009166      6.942180
  C      -8.031754      0.060565      6.390296
  H      -3.865746      6.094264      6.768924
  H      -3.984356      5.098143      8.228332
  H      -4.570165      3.138080      6.352644
  H      -6.386402      5.598169      6.131284
  H      -6.070740      1.109013      3.185933
  H     -10.493561      2.313594      2.838715
  H     -11.935458      4.026335      3.953420
  H     -10.971614      5.557999      5.660872
  H      -8.573768      5.425446      6.255276
  H       0.804493      0.787547      4.024099
  H      -0.713642      1.437593      3.345800
  H      -0.414254     -0.583056      5.680141
  H      -2.179298     -1.805156      4.920104
  H      -3.773729      1.627671      1.119515
  H      -6.151337     -2.225061      0.395144
  H      -6.092598     -4.536704      1.355376
  H      -4.442532     -5.105255      3.132277
  H      -2.885482     -3.405510      3.990896
  H      -3.239917     -0.454366      7.612004
  H      -3.865375      0.354194      6.184932
  H      -4.510126      1.644520      8.887414
  H      -6.777002      1.237950      8.481021
  H      -5.758555     -2.442097      4.675807
  H     -10.207492     -1.480695      4.216644
  H     -11.765839      0.191992      5.237150
  H     -10.926042      1.787546      6.955835
  H      -8.583911      1.728772      7.684556
  N      -3.036311      2.576181      4.799665
  H      -4.031374      2.640700      4.463409
91
Coordinates from ORCA-job orca E -6199.943766134788
  N      -2.398498      4.579620      6.933908
  Mo     -1.881283      2.834711      6.063536
  N      -2.466886      1.462652      7.297863
  C      -1.495013      1.281095      8.399222
  C      -0.807504      2.586646      8.826346
  N      -0.171954      3.295659      7.674509
  C      -0.107173      4.760940      7.820766
  C      -1.519712      5.326412      7.840623
  C       1.123290      2.694280      7.249228
  C       1.102004      2.640518      5.725724
  N      -0.199350      2.069658      5.331509
  H      -1.496773      6.393139      7.556478
  H      -1.940209      5.286823      8.864743
  H       0.437923      5.141845      6.944149
  H       0.455283      5.057072      8.723617
  H       1.928282      2.035119      5.323382
  H       1.226333      3.658644      5.315046
  H       1.184904      1.679811      7.662798
  H       1.968603      3.286703      7.635360
  H      -2.009105      0.882816      9.289501
  H      -0.744592      0.534210      8.076424
  H      -1.550672      3.260162      9.270322
  H      -0.059895      2.343578      9.601580
  C      -3.795980      5.052088      7.113266
  C      -4.824278      4.181833      6.463640
  C      -6.006244      4.576091      5.965238
  C      -6.751078      3.647893      5.104866
  N      -6.040213      2.677502      4.509310
  C      -6.687915      1.848247      3.653479
  N      -7.957760      1.902911      3.294695
  C      -8.708906      2.883565      3.878100
  C     -10.081398      2.987580      3.547042
  C     -10.867073      3.943302      4.157317
  C     -10.319062      4.826054      5.119705
  C      -8.981995      4.754793      5.453915
  C      -8.146335      3.790254      4.835654
  C      -0.230683      1.086322      4.231175
  C      -0.852947     -0.184466      4.730325
  C      -1.889916     -0.916691      4.284325
  C      -2.783583     -0.711191      3.144573
  N      -2.835841      0.487485      2.560470
  C      -3.744721      0.661850      1.569471
  N      -4.624482     -0.212627      1.112470
  C      -4.579260     -1.456651      1.675344
  C      -5.492739     -2.441406      1.225022
  C      -5.455749     -3.713744      1.756481
  C      -4.502610     -4.049041      2.747750
  C      -3.609945     -3.104050      3.214324
  C      -3.633125     -1.782324      2.702280
  C      -3.575965      0.517886      7.225079
  C      -4.743007      0.980699      8.047446
  C      -6.052209      0.737036      7.827118
  C      -6.634491     -0.083955      6.767387
  N      -5.856539     -0.976107      6.146175
  C      -6.430983     -1.757291      5.196265
  N      -7.694118     -1.766864      4.810894
  C      -8.511536     -0.855006      5.414099
  C      -9.869375     -0.789253      5.016674
  C     -10.710882      0.148178      5.577366
  C     -10.227681      1.054944      6.549547
  C      -8.910347      1.009718      6.959354
  C      -8.021261      0.049953      6.413175
  H      -3.869542      6.087344      6.734559
  H      -3.993644      5.108569      8.204998
  H      -4.579653      3.125589      6.367951
  H      -6.372145      5.599142      6.070689
  H      -6.073113      1.066251      3.196998
  H     -10.487005      2.287807      2.815520
  H     -11.925732      4.020135      3.903354
  H     -10.961573      5.568690      5.595155
  H      -8.566750      5.433684      6.199751
  H       0.817746      0.848949      3.973673
  H      -0.724167      1.481768      3.333935
  H      -0.354395     -0.572190      5.627307
  H      -2.121546     -1.801523      4.880279
  H      -3.758221      1.656773      1.114348
  H      -6.209498     -2.158785      0.453091
  H      -6.160259     -4.471490      1.410247
  H      -4.478936     -5.063140      3.149544
  H      -2.884289     -3.385201      3.977245
  H      -3.229600     -0.469806      7.585719
  H      -3.863436      0.363910      6.177723
  H      -4.487659      1.621040      8.897854
  H      -6.757803      1.207119      8.513451
  H      -5.766276     -2.474693      4.707016
  H     -10.210693     -1.488093      4.252012
  H     -11.754597      0.202809      5.263413
  H     -10.900560      1.804204      6.969147
  H      -8.557369      1.732150      7.695435
  N      -3.053621      2.549839      4.820388
  H      -4.047308      2.593474      4.473311
91
Coordinates from ORCA-job orca E -6199.946386242536
  N      -2.407132      4.571763      6.922497
  Mo     -1.882909      2.825111      6.061068
  N      -2.458991      1.450612      7.298303
  C      -1.498592      1.263464      8.405553
  C      -0.821743      2.569950      8.838259
  N      -0.189355      3.277400      7.686863
  C      -0.125408      4.742488      7.831640
  C      -1.536656      5.308026      7.844543
  C       1.107053      2.679448      7.264201
  C       1.101041      2.643857      5.740835
  N      -0.196036      2.085406      5.321703
  H      -1.509138      6.377711      7.571664
  H      -1.966448      5.259562      8.864399
  H       0.424426      5.123123      6.957838
  H       0.432222      5.039809      8.737130
  H       1.928676      2.037341      5.342879
  H       1.236961      3.665259      5.342312
  H       1.164075      1.660004      7.666014
  H       1.950630      3.265185      7.664445
  H      -2.019038      0.859565      9.289628
  H      -0.743762      0.519022      8.087310
  H      -1.571456      3.239872      9.276778
  H      -0.075301      2.334705      9.617139
  C      -3.802570      5.049386      7.089182
  C      -4.831019      4.173747      6.449152
  C      -6.001415      4.571204      5.926954
  C      -6.749706      3.635194      5.077839
  N      -6.043309      2.652705      4.496602
  C      -6.693791      1.818060      3.648222
  N      -7.961641      1.876397      3.285314
  C      -8.708696      2.867623      3.855711
  C     -10.080024      2.974817      3.520910
  C     -10.861903      3.941047      4.118939
  C     -10.310930      4.831918      5.072002
  C      -8.974840      4.757953      5.408932
  C      -8.143212      3.782334      4.803294
  C      -0.220925      1.123414      4.202649
  C      -0.809738     -0.168040      4.690325
  C      -1.845870     -0.907043      4.252241
  C      -2.762780     -0.693342      3.132676
  N      -2.819019      0.506850      2.551303
  C      -3.744872      0.688640      1.578389
  N      -4.638950     -0.178806      1.137479
  C      -4.590038     -1.424748      1.695756
  C      -5.515778     -2.403442      1.257518
  C      -5.472558     -3.679182      1.779462
  C      -4.501390     -4.023822      2.749438
  C      -3.597952     -3.084409      3.205967
  C      -3.626336     -1.759038      2.703251
  C      -3.570020      0.508355      7.220683
  C      -4.729594      0.963121      8.058131
  C      -6.040565      0.719642      7.850689
  C      -6.631451     -0.095803      6.791497
  N      -5.861125     -0.993780      6.169011
  C      -6.445044     -1.773611      5.224010
  N      -7.709827     -1.776351      4.845054
  C      -8.518418     -0.856135      5.447694
  C      -9.877324     -0.781250      5.055553
  C     -10.708544      0.166156      5.614592
  C     -10.213978      1.074393      6.579499
  C      -8.895673      1.019916      6.984680
  C      -8.017542      0.049051      6.440655
  H      -3.872437      6.079987      6.697605
  H      -4.004298      5.119569      8.179229
  H      -4.591210      3.113450      6.383356
  H      -6.355124      5.601005      6.005781
  H      -6.082771      1.027784      3.201477
  H     -10.487821      2.268806      2.796653
  H     -11.919762      4.020196      3.862484
  H     -10.950465      5.582902      5.538196
  H      -8.557453      5.443217      6.147729
  H       0.827158      0.914864      3.920506
  H      -0.741164      1.524181      3.323758
  H      -0.288605     -0.562013      5.571426
  H      -2.054127     -1.804572      4.837377
  H      -3.759119      1.683516      1.123241
  H      -6.245859     -2.113703      0.500892
  H      -6.185865     -4.432510      1.441799
  H      -4.472365     -5.040866      3.143321
  H      -2.858765     -3.374039      3.952345
  H      -3.223866     -0.485695      7.563489
  H      -3.865180      0.370569      6.173230
  H      -4.466289      1.599612      8.908985
  H      -6.740118      1.184347      8.546882
  H      -5.787349     -2.496522      4.733406
  H     -10.227634     -1.480796      4.295641
  H     -11.752953      0.227928      5.304393
  H     -10.878720      1.832072      6.996928
  H      -8.532617      1.743696      7.714531
  N      -3.072007      2.524663      4.839866
  H      -4.063839      2.548502      4.482784
91
Coordinates from ORCA-job orca E -6199.948759691987
  N      -2.412540      4.565847      6.911294
  Mo     -1.883789      2.816463      6.059754
  N      -2.450603      1.440601      7.300994
  C      -1.502486      1.248455      8.414940
  C      -0.834501      2.556155      8.851149
  N      -0.205238      3.260282      7.699054
  C      -0.140161      4.725330      7.840886
  C      -1.549479      5.292499      7.846654
  C       1.091492      2.663458      7.279473
  C       1.100891      2.644806      5.756524
  N      -0.192555      2.101107      5.313027
  H      -1.516819      6.364490      7.583155
  H      -1.988092      5.237321      8.862362
  H       0.414417      5.104201      6.969349
  H       0.413345      5.023963      8.748474
  H       1.928891      2.035567      5.363438
  H       1.249966      3.668689      5.369528
  H       1.142296      1.639330      7.669978
  H       1.934089      3.241210      7.693426
  H      -2.030152      0.841406      9.293299
  H      -0.744304      0.504557      8.103474
  H      -1.589837      3.223528      9.283908
  H      -0.089012      2.329025      9.633396
  C      -3.804981      5.051039      7.064138
  C      -4.834155      4.170125      6.434823
  C      -5.992796      4.570059      5.889253
  C      -6.746361      3.625793      5.053992
  N      -6.045545      2.630423      4.487861
  C      -6.700249      1.789267      3.649379
  N      -7.966650      1.850807      3.284133
  C      -8.708668      2.853107      3.841346
  C     -10.079548      2.962425      3.505592
  C     -10.856781      3.939223      4.091932
  C     -10.301241      4.839281      5.033482
  C      -8.965375      4.763665      5.370357
  C      -8.138676      3.776910      4.776730
  C      -0.210998      1.159248      4.176539
  C      -0.771275     -0.150628      4.650547
  C      -1.808182     -0.893691      4.219202
  C      -2.744134     -0.672752      3.116925
  N      -2.795068      0.525367      2.530175
  C      -3.734074      0.714467      1.572312
  N      -4.647015     -0.142489      1.151654
  C      -4.605375     -1.386336      1.714982
  C      -5.551697     -2.353833      1.296572
  C      -5.516437     -3.628113      1.821768
  C      -4.533639     -3.982233      2.776050
  C      -3.610701     -3.053463      3.214431
  C      -3.629361     -1.729221      2.707519
  C      -3.563573      0.500988      7.218582
  C      -4.718608      0.947438      8.066713
  C      -6.029884      0.700722      7.867706
  C      -6.622677     -0.113071      6.808406
  N      -5.854072     -1.014377      6.188421
  C      -6.440341     -1.795857      5.246678
  N      -7.705347     -1.797626      4.869564
  C      -8.511328     -0.872308      5.468185
  C      -9.870091     -0.794470      5.076212
  C     -10.697198      0.159567      5.629807
  C     -10.198854      1.071962      6.588625
  C      -8.880881      1.014381      6.994031
  C      -8.007432      0.036145      6.456026
  H      -3.869669      6.076292      6.658197
  H      -4.011078      5.136875      8.152091
  H      -4.600508      3.106117      6.400932
  H      -6.332884      5.606259      5.939820
  H      -6.093756      0.990373      3.212512
  H     -10.490773      2.249284      2.790434
  H     -11.914351      4.019859      3.835148
  H     -10.937088      5.598626      5.490875
  H      -8.544582      5.456073      6.100442
  H       0.835979      0.977029      3.873450
  H      -0.754329      1.564973      3.314739
  H      -0.231989     -0.550789      5.517559
  H      -1.998779     -1.800511      4.795560
  H      -3.741609      1.706245      1.110537
  H      -6.290658     -2.056785      0.551621
  H      -6.245252     -4.372923      1.498938
  H      -4.510818     -4.998386      3.172436
  H      -2.863268     -3.351899      3.948829
  H      -3.218023     -0.498172      7.546637
  H      -3.864017      0.377233      6.171074
  H      -4.451348      1.581730      8.917892
  H      -6.727236      1.159431      8.570045
  H      -5.784544     -2.521909      4.758114
  H     -10.223487     -1.496688      4.320322
  H     -11.741340      0.223626      5.319509
  H     -10.860261      1.835246      7.000901
  H      -8.513600      1.741496      7.718357
  N      -3.087114      2.503893      4.857139
  H      -4.076046      2.509123      4.489270
91
Coordinates from ORCA-job orca E -6199.950923287102
  N      -2.423023      4.554470      6.905674
  Mo     -1.885085      2.807940      6.057917
  N      -2.437015      1.423772      7.298157
  C      -1.500574      1.223790      8.417344
  C      -0.844158      2.532005      8.862459
  N      -0.222171      3.239787      7.712012
  C      -0.160175      4.704411      7.858108
  C      -1.569038      5.268665      7.859829
  C       1.076103      2.651583      7.291039
  C       1.100684      2.658840      5.768252
  N      -0.188082      2.128363      5.296782
  H      -1.533329      6.345123      7.612495
  H      -2.016721      5.199505      8.871424
  H       0.397708      5.087459      6.990907
  H       0.388736      5.002062      8.768884
  H       1.930418      2.051111      5.377542
  H       1.261105      3.687500      5.398263
  H       1.123816      1.620786      7.663552
  H       1.916320      3.221827      7.722132
  H      -2.034531      0.807968      9.288133
  H      -0.737411      0.483708      8.109056
  H      -1.606200      3.192268      9.293315
  H      -0.098081      2.312638      9.646002
  C      -3.814131      5.042812      7.046751
  C      -4.842366      4.157739      6.424419
  C      -5.988899      4.558006      5.852829
  C      -6.743030      3.606515      5.027870
  N      -6.043921      2.596927      4.481162
  C      -6.698081      1.749305      3.649787
  N      -7.961369      1.816678      3.275209
  C      -8.702171      2.832279      3.814141
  C     -10.070911      2.947280      3.468978
  C     -10.847432      3.937001      4.037793
  C     -10.292914      4.845048      4.970228
  C      -8.958908      4.764302      5.315332
  C      -8.133086      3.764023      4.739832
  C      -0.195342      1.210786      4.137048
  C      -0.708379     -0.127108      4.599838
  C      -1.745770     -0.879081      4.182709
  C      -2.717266     -0.648892      3.108544
  N      -2.774309      0.549316      2.523548
  C      -3.744397      0.748865      1.593817
  N      -4.685219     -0.096328      1.201651
  C      -4.639494     -1.340700      1.762012
  C      -5.615499     -2.296141      1.370932
  C      -5.577725     -3.571227      1.890925
  C      -4.563008     -3.938069      2.812715
  C      -3.611198     -3.020816      3.225735
  C      -3.630778     -1.695535      2.723778
  C      -3.551340      0.484913      7.207749
  C      -4.700424      0.921486      8.070016
  C      -6.012875      0.674334      7.881570
  C      -6.612531     -0.134553      6.822024
  N      -5.850588     -1.044215      6.203094
  C      -6.444698     -1.825287      5.265473
  N      -7.710806     -1.819898      4.892303
  C      -8.508961     -0.883839      5.487961
  C      -9.868108     -0.795579      5.098318
  C     -10.685946      0.172108      5.647218
  C     -10.177814      1.088384      6.598522
  C      -8.859503      1.019938      7.002341
  C      -7.996037      0.026886      6.469771
  H      -3.876837      6.063324      6.631018
  H      -4.024125      5.139162      8.132470
  H      -4.613327      3.092815      6.419841
  H      -6.318027      5.599585      5.874968
  H      -6.093172      0.938758      3.227589
  H     -10.481185      2.227979      2.761078
  H     -11.903454      4.022019      3.774113
  H     -10.928159      5.614769      5.414091
  H      -8.539125      5.463322      6.038328
  H       0.852146      1.066647      3.802171
  H      -0.772892      1.620844      3.296814
  H      -0.137209     -0.534509      5.446547
  H      -1.905492     -1.800338      4.748784
  H      -3.754605      1.739786      1.131239
  H      -6.378959     -1.989319      0.650067
  H      -6.329213     -4.306893      1.588738
  H      -4.538283     -4.955139      3.204573
  H      -2.840315     -3.330369      3.935303
  H      -3.206539     -0.521501      7.516677
  H      -3.858402      0.379323      6.159172
  H      -4.426741      1.551362      8.922261
  H      -6.705336      1.127436      8.592198
  H      -5.795063     -2.558332      4.777391
  H     -10.229181     -1.500085      4.347301
  H     -11.730261      0.244511      5.338338
  H     -10.831788      1.863221      7.006032
  H      -8.483274      1.750261      7.720138
  N      -3.107212      2.487097      4.878843
  H      -4.093901      2.472972      4.502262
91
Coordinates from ORCA-job orca E -6199.952854732622
  N      -2.432675      4.546742      6.893998
  Mo     -1.890767      2.798027      6.056291
  N      -2.429035      1.409720      7.299635
  C      -1.506747      1.199158      8.424965
  C      -0.859631      2.505784      8.876210
  N      -0.244509      3.211991      7.724860
  C      -0.180524      4.676436      7.870490
  C      -1.586322      5.243696      7.866907
  C       1.052722      2.626110      7.302727
  C       1.094092      2.660684      5.781461
  N      -0.191827      2.152971      5.279865
  H      -1.543783      6.324212      7.636148
  H      -2.043915      5.161856      8.873053
  H       0.381780      5.059586      7.006329
  H       0.364792      4.973055      8.783481
  H       1.922714      2.048611      5.394197
  H       1.272613      3.693681      5.428877
  H       1.092485      1.587917      7.656740
  H       1.893034      3.183590      7.751263
  H      -2.048984      0.776875      9.287712
  H      -0.740371      0.460057      8.122485
  H      -1.627105      3.162068      9.302911
  H      -0.113227      2.294227      9.661545
  C      -3.820497      5.044515      7.020737
  C      -4.851911      4.154191      6.410670
  C      -5.981990      4.556706      5.807208
  C      -6.739174      3.596454      4.995859
  N      -6.044444      2.579274      4.465344
  C      -6.700927      1.725423      3.642438
  N      -7.962398      1.791421      3.264377
  C      -8.699204      2.811461      3.789874
  C     -10.067049      2.921233      3.443337
  C     -10.840050      3.913210      4.000529
  C     -10.282385      4.830473      4.921380
  C      -8.949088      4.755667      5.266524
  C      -8.127277      3.751982      4.703435
  C      -0.192151      1.262830      4.098560
  C      -0.658457     -0.099474      4.545631
  C      -1.693557     -0.862803      4.140655
  C      -2.691293     -0.629771      3.092521
  N      -2.750378      0.563678      2.502532
  C      -3.737536      0.766784      1.594208
  N      -4.694780     -0.069751      1.228626
  C      -4.648576     -1.310141      1.793143
  C      -5.640706     -2.257650      1.426173
  C      -5.603632     -3.529539      1.947641
  C      -4.574107     -3.900817      2.847645
  C      -3.606533     -2.991120      3.238366
  C      -3.623591     -1.668883      2.733708
  C      -3.545709      0.472734      7.200362
  C      -4.686390      0.893745      8.084745
  C      -6.000508      0.648868      7.910511
  C      -6.607395     -0.139814      6.844041
  N      -5.852388     -1.036419      6.217350
  C      -6.455207     -1.798349      5.277683
  N      -7.722005     -1.785115      4.907990
  C      -8.511265     -0.860281      5.509009
  C      -9.870136     -0.762695      5.122063
  C     -10.677188      0.195048      5.675746
  C     -10.158414      1.093089      6.628310
  C      -8.840489      1.015817      7.029759
  C      -7.988797      0.031078      6.493430
  H      -3.876718      6.059323      6.589365
  H      -4.034558      5.158586      8.104923
  H      -4.633254      3.086362      6.445234
  H      -6.294594      5.605516      5.793654
  H      -6.099547      0.909528      3.231160
  H     -10.479514      2.194931      2.744401
  H     -11.895571      3.993454      3.736480
  H     -10.914790      5.602154      5.356510
  H      -8.526991      5.461437      5.980900
  H       0.851563      1.159798      3.733816
  H      -0.804430      1.673013      3.283993
  H      -0.059197     -0.509413      5.371226
  H      -1.824376     -1.796339      4.693618
  H      -3.747731      1.753003      1.125357
  H      -6.415390     -1.947628      0.721087
  H      -6.367027     -4.259411      1.663156
  H      -4.549696     -4.915939      3.240468
  H      -2.824807     -3.305867      3.931204
  H      -3.200538     -0.543008      7.482829
  H      -3.862569      0.391156      6.151193
  H      -4.404255      1.510660      8.942235
  H      -6.687501      1.087360      8.636950
  H      -5.812515     -2.519516      4.783333
  H     -10.239582     -1.452079      4.368981
  H     -11.721245      0.274149      5.369002
  H     -10.803722      1.860505      7.038505
  H      -8.454217      1.731689      7.747557
  N      -3.134734      2.458386      4.903409
  H      -4.115590      2.420028      4.516753
91
Coordinates from ORCA-job orca E -6199.954809235414
  N      -2.436879      4.543448      6.877664
  Mo     -1.893223      2.785793      6.059528
  N      -2.421847      1.402528      7.313667
  C      -1.516533      1.186244      8.446867
  C      -0.877976      2.491855      8.896177
  N      -0.267108      3.186189      7.740513
  C      -0.197436      4.650726      7.876386
  C      -1.598764      5.225614      7.863824
  C       1.028113      2.594720      7.322637
  C       1.088329      2.647988      5.803414
  N      -0.194649      2.166502      5.273973
  H      -1.547392      6.307496      7.642736
  H      -2.066783      5.138985      8.863569
  H       0.370988      5.027078      7.012768
  H       0.344367      4.949275      8.790375
  H       1.914559      2.025855      5.423016
  H       1.288216      3.682881      5.462622
  H       1.056233      1.550853      7.664529
  H       1.869598      3.137890      7.786485
  H      -2.068875      0.764386      9.303468
  H      -0.747578      0.444517      8.156493
  H      -1.650871      3.149505      9.312773
  H      -0.132406      2.291273      9.685452
  C      -3.820263      5.054023      6.982895
  C      -4.853262      4.153012      6.388502
  C      -5.965229      4.552304      5.748491
  C      -6.724179      3.572064      4.955676
  N      -6.032756      2.532133      4.450034
  C      -6.690285      1.657565      3.641279
  N      -7.948563      1.719473      3.256825
  C      -8.682513      2.759338      3.760313
  C     -10.048733      2.863130      3.409003
  C     -10.819322      3.873855      3.945847
  C     -10.260505      4.817776      4.849564
  C      -8.928738      4.749594      5.197833
  C      -8.109817      3.726054      4.655640
  C      -0.194198      1.303286      4.076123
  C      -0.631967     -0.074324      4.500251
  C      -1.668008     -0.838203      4.096362
  C      -2.676458     -0.590910      3.067607
  N      -2.718358      0.601453      2.477946
  C      -3.705766      0.819279      1.582678
  N      -4.678779     -0.000025      1.229166
  C      -4.651060     -1.239775      1.791600
  C      -5.657762     -2.171441      1.431047
  C      -5.638692     -3.443806      1.945951
  C      -4.614066     -3.831221      2.833933
  C      -3.632863     -2.937122      3.219671
  C      -3.629775     -1.614426      2.720351
  C      -3.542369      0.471747      7.212361
  C      -4.673535      0.885909      8.108329
  C      -5.988986      0.637578      7.948579
  C      -6.605597     -0.152906      6.886112
  N      -5.859244     -1.060046      6.258179
  C      -6.473041     -1.829020      5.327149
  N      -7.741249     -1.813366      4.968913
  C      -8.520115     -0.875814      5.569647
  C      -9.879896     -0.775022      5.193591
  C     -10.674447      0.195530      5.746184
  C     -10.142396      1.104325      6.686389
  C      -8.823844      1.023920      7.077831
  C      -7.985568      0.024851      6.543136
  H      -3.868277      6.062170      6.528449
  H      -4.041430      5.192727      8.065412
  H      -4.645021      3.081000      6.468805
  H      -6.261194      5.610992      5.692014
  H      -6.092279      0.824445      3.248080
  H     -10.461919      2.116086      2.723633
  H     -11.873700      3.948751      3.678950
  H     -10.890928      5.604313      5.269252
  H      -8.505891      5.475817      5.899411
  H       0.842231      1.232340      3.691496
  H      -0.831754      1.714321      3.285436
  H      -0.018101     -0.489728      5.307869
  H      -1.785309     -1.781670      4.629713
  H      -3.699953      1.803148      1.112471
  H      -6.427809     -1.849551      0.734314
  H      -6.412245     -4.161853      1.665076
  H      -4.603154     -4.847355      3.221207
  H      -2.854593     -3.266358      3.902575
  H      -3.200346     -0.545534      7.477787
  H      -3.867402      0.404745      6.167850
  H      -4.382238      1.503765      8.963230
  H      -6.668689      1.072172      8.682888
  H      -5.838303     -2.558877      4.830241
  H     -10.260008     -1.472300      4.449032
  H     -11.719002      0.276870      5.447574
  H     -10.777879      1.882599      7.094689
  H      -8.425449      1.747942      7.785587
  N      -3.151190      2.425677      4.926060
  H      -4.123914      2.362929      4.522543
91
Coordinates from ORCA-job orca E -6199.956477545951
  N      -2.448978      4.533836      6.874574
  Mo     -1.906336      2.776577      6.060553
  N      -2.418067      1.388055      7.316628
  C      -1.522312      1.162265      8.452002
  C      -0.889315      2.465594      8.904206
  N      -0.289919      3.159487      7.746656
  C      -0.218250      4.623468      7.884470
  C      -1.616221      5.200060      7.874625
  C       1.001925      2.571500      7.321185
  C       1.069900      2.650390      5.805021
  N      -0.210661      2.190580      5.254434
  H      -1.560903      6.285652      7.670328
  H      -2.088618      5.100686      8.870380
  H       0.349752      5.001726      7.022385
  H       0.324127      4.919604      8.798004
  H       1.892427      2.025063      5.422627
  H       1.283711      3.688453      5.481479
  H       1.025144      1.521394      7.643941
  H       1.844362      3.102688      7.797168
  H      -2.079144      0.735293      9.302817
  H      -0.752427      0.420683      8.164572
  H      -1.664192      3.119541      9.320791
  H      -0.140660      2.271402      9.690908
  C      -3.828332      5.049583      6.973722
  C      -4.866573      4.148207      6.389723
  C      -5.964292      4.547941      5.726272
  C      -6.728734      3.566234      4.944220
  N      -6.043863      2.523555      4.449634
  C      -6.705711      1.655121      3.644766
  N      -7.961172      1.727438      3.254947
  C      -8.689179      2.768640      3.748864
  C     -10.053467      2.882757      3.392025
  C     -10.818399      3.893322      3.920457
  C     -10.255248      4.828318      4.819973
  C      -8.924934      4.751953      5.171949
  C      -8.112033      3.727580      4.638967
  C      -0.206999      1.352341      4.039089
  C      -0.599909     -0.044501      4.450011
  C      -1.627972     -0.825550      4.056761
  C      -2.659852     -0.583159      3.050795
  N      -2.727820      0.610912      2.461615
  C      -3.730060      0.822437      1.584877
  N      -4.695310     -0.005083      1.249175
  C      -4.641406     -1.246969      1.809174
  C      -5.634525     -2.188977      1.460101
  C      -5.587306     -3.464724      1.967618
  C      -4.548450     -3.844559      2.838022
  C      -3.580641     -2.940443      3.213969
  C      -3.604447     -1.614532      2.720457
  C      -3.542205      0.462276      7.212397
  C      -4.664741      0.870328      8.120634
  C      -5.980924      0.626275      7.970086
  C      -6.605738     -0.156872      6.906460
  N      -5.867692     -1.078062      6.280443
  C      -6.490173     -1.845032      5.352921
  N      -7.759869     -1.817033      4.998792
  C      -8.529441     -0.863194      5.596012
  C      -9.889840     -0.746839      5.222638
  C     -10.672846      0.244165      5.769126
  C     -10.128667      1.158016      6.700403
  C      -8.809749      1.060734      7.090585
  C      -7.983877      0.039890      6.562720
  H      -3.872818      6.052617      6.510616
  H      -4.048590      5.198843      8.054533
  H      -4.668482      3.078187      6.499266
  H      -6.244152      5.608074      5.643499
  H      -6.113096      0.821651      3.257614
  H     -10.469842      2.142442      2.709828
  H     -11.871590      3.974985      3.650301
  H     -10.881329      5.614128      5.233765
  H      -8.498860      5.471561      5.870184
  H       0.822815      1.319415      3.628351
  H      -0.875925      1.758683      3.272687
  H       0.039680     -0.457416      5.238359
  H      -1.711898     -1.781631      4.576703
  H      -3.744175      1.807599      1.113234
  H      -6.415650     -1.872581      0.775884
  H      -6.348966     -4.191121      1.693868
  H      -4.514464     -4.863603      3.218887
  H      -2.790076     -3.265774      3.881970
  H      -3.203323     -0.559311      7.460220
  H      -3.875530      0.411555      6.170379
  H      -4.364864      1.484959      8.975430
  H      -6.653958      1.057819      8.711615
  H      -5.861959     -2.587982      4.857156
  H     -10.279568     -1.447423      4.483891
  H     -11.717713      0.338785      5.471646
  H     -10.755040      1.954426      7.102291
  H      -8.400422      1.789249      7.790645
  N      -3.186083      2.411981      4.953566
  H      -4.152941      2.335347      4.545029
91
Coordinates from ORCA-job orca E -6199.957467673412
  N      -2.461286      4.521953      6.874553
  Mo     -1.917234      2.771654      6.056623
  N      -2.415975      1.368900      7.304284
  C      -1.530666      1.126811      8.441248
  C      -0.902701      2.427414      8.906842
  N      -0.312224      3.130414      7.752871
  C      -0.239490      4.592708      7.902798
  C      -1.635338      5.169486      7.894487
  C       0.978037      2.550363      7.319165
  C       1.055547      2.660105      5.805918
  N      -0.221853      2.221253      5.232124
  H      -1.574699      6.259705      7.710745
  H      -2.115654      5.052806      8.885650
  H       0.331229      4.978321      7.046152
  H       0.301096      4.881179      8.819529
  H       1.875821      2.035299      5.419917
  H       1.281021      3.701536      5.503142
  H       0.997126      1.493955      7.618347
  H       1.820431      3.068985      7.810624
  H      -2.093405      0.689603      9.283322
  H      -0.760643      0.386738      8.152502
  H      -1.680037      3.073734      9.327601
  H      -0.152134      2.235189      9.691128
  C      -3.837407      5.042402      6.964593
  C      -4.877104      4.146838      6.381731
  C      -5.960860      4.546337      5.695933
  C      -6.733277      3.562535      4.923732
  N      -6.058306      2.505348      4.442672
  C      -6.727472      1.631342      3.646365
  N      -7.980550      1.708851      3.253182
  C      -8.699294      2.765777      3.734105
  C     -10.061800      2.889151      3.373382
  C     -10.817223      3.924942      3.885737
  C     -10.245982      4.874723      4.773060
  C      -8.917343      4.785443      5.129774
  C      -8.114148      3.735756      4.612914
  C      -0.210558      1.404302      4.003060
  C      -0.558839     -0.009305      4.400811
  C      -1.575132     -0.809768      4.018033
  C      -2.634954     -0.574032      3.038113
  N      -2.744456      0.626365      2.458309
  C      -3.776898      0.833052      1.612846
  N      -4.738142     -0.004662      1.301954
  C      -4.642515     -1.253147      1.849632
  C      -5.628492     -2.205852      1.520488
  C      -5.537588     -3.489243      2.010133
  C      -4.461674     -3.865761      2.843233
  C      -3.501872     -2.950889      3.202420
  C      -3.569099     -1.616953      2.726167
  C      -3.545953      0.449958      7.194716
  C      -4.656266      0.851687      8.122726
  C      -5.974248      0.613111      7.986885
  C      -6.607496     -0.159929      6.923738
  N      -5.875237     -1.087063      6.296773
  C      -6.504181     -1.846242      5.373276
  N      -7.777130     -1.805032      5.025301
  C      -8.540864     -0.843441      5.622388
  C      -9.904045     -0.710387      5.253357
  C     -10.678918      0.287432      5.799206
  C     -10.124314      1.191719      6.725138
  C      -8.803025      1.079538      7.111006
  C      -7.985831      0.051496      6.583983
  H      -3.877761      6.041503      6.499274
  H      -4.060423      5.194985      8.040576
  H      -4.687516      3.081042      6.513638
  H      -6.227209      5.603227      5.594514
  H      -6.142937      0.788755      3.267678
  H     -10.484293      2.138471      2.700081
  H     -11.868890      4.016316      3.611730
  H     -10.864482      5.683228      5.173118
  H      -8.484901      5.517761      5.818092
  H       0.811797      1.409261      3.575444
  H      -0.902858      1.801035      3.256414
  H       0.105353     -0.417847      5.169981
  H      -1.623992     -1.776400      4.525813
  H      -3.823040      1.823444      1.146999
  H      -6.439042     -1.891334      0.863978
  H      -6.292952     -4.223895      1.750268
  H      -4.392650     -4.890852      3.208892
  H      -2.682836     -3.274939      3.841262
  H      -3.210733     -0.580761      7.421601
  H      -3.890683      0.420674      6.153525
  H      -4.344709      1.457623      8.978752
  H      -6.639846      1.038603      8.739494
  H      -5.879177     -2.595874      4.876985
  H     -10.302070     -1.404087      4.518196
  H     -11.725648      0.394277      5.505081
  H     -10.744415      1.992092      7.126100
  H      -8.384598      1.800075      7.806416
  N      -3.204662      2.414866      4.972935
  H      -4.169172      2.336195      4.554283
91
Coordinates from ORCA-job orca E -6199.958449541703
  N      -2.467564      4.512032      6.866403
  Mo     -1.918260      2.763620      6.052944
  N      -2.407842      1.350819      7.298760
  C      -1.539698      1.096541      8.443001
  C      -0.917655      2.395047      8.917544
  N      -0.331891      3.100321      7.763677
  C      -0.257253      4.562053      7.919475
  C      -1.651660      5.141959      7.905480
  C       0.958733      2.523815      7.327494
  C       1.053144      2.662631      5.817045
  N      -0.220318      2.250692      5.215329
  H      -1.584659      6.234711      7.738542
  H      -2.143839      5.012260      8.890394
  H       0.319871      4.950787      7.067386
  H       0.278853      4.845581      8.841235
  H       1.871677      2.033867      5.432030
  H       1.295415      3.705816      5.533416
  H       0.970415      1.461247      7.604700
  H       1.800782      3.026904      7.837003
  H      -2.113907      0.654376      9.275920
  H      -0.767916      0.354996      8.161564
  H      -1.700419      3.036994      9.336478
  H      -0.166310      2.208071      9.703760
  C      -3.840682      5.037278      6.941353
  C      -4.877702      4.142199      6.360925
  C      -5.943969      4.536831      5.645466
  C      -6.722143      3.546604      4.886293
  N      -6.053961      2.486239      4.415332
  C      -6.728206      1.609413      3.627521
  N      -7.980025      1.687004      3.234360
  C      -8.692926      2.746299      3.707033
  C     -10.054779      2.870823      3.346317
  C     -10.804313      3.912303      3.849198
  C     -10.227249      4.866066      4.726566
  C      -8.898937      4.775223      5.082628
  C      -8.101877      3.720440      4.575142
  C      -0.199788      1.456866      3.975802
  C      -0.514372      0.032257      4.354307
  C      -1.523854     -0.779026      3.976750
  C      -2.600848     -0.544502      3.018882
  N      -2.712599      0.654149      2.434871
  C      -3.767916      0.865958      1.617082
  N      -4.752677      0.036667      1.340525
  C      -4.655892     -1.211431      1.890691
  C      -5.669508     -2.154974      1.596670
  C      -5.578566     -3.438850      2.085968
  C      -4.474535     -3.824950      2.883549
  C      -3.488603     -2.918172      3.211091
  C      -3.555934     -1.582874      2.735583
  C      -3.547306      0.443383      7.184763
  C      -4.647165      0.846475      8.119207
  C      -5.965250      0.611982      7.991035
  C      -6.607211     -0.159859      6.928880
  N      -5.883909     -1.091243      6.296824
  C      -6.523375     -1.856561      5.379315
  N      -7.797666     -1.819973      5.044519
  C      -8.551223     -0.853100      5.645972
  C      -9.915279     -0.726364      5.291374
  C     -10.678350      0.275443      5.841212
  C     -10.110971      1.192094      6.755780
  C      -8.788976      1.085914      7.128366
  C      -7.984389      0.052120      6.598352
  H      -3.877261      6.031636      6.468401
  H      -4.070205      5.197496      8.012375
  H      -4.697944      3.080698      6.523772
  H      -6.197544      5.590133      5.519662
  H      -6.148594      0.767416      3.254205
  H     -10.481382      2.117451      2.680266
  H     -11.855608      4.005414      3.575247
  H     -10.841064      5.679391      5.119436
  H      -8.462186      5.511136      5.763242
  H       0.812989      1.497255      3.540814
  H      -0.908681      1.843349      3.247507
  H       0.162721     -0.370898      5.108862
  H      -1.555396     -1.749151      4.473217
  H      -3.814098      1.854396      1.145474
  H      -6.501808     -1.833070      0.966334
  H      -6.355910     -4.166438      1.852806
  H      -4.405330     -4.851014      3.248269
  H      -2.650146     -3.250583      3.824057
  H      -3.222385     -0.590503      7.398417
  H      -3.899593      0.428972      6.147488
  H      -4.327317      1.450499      8.974808
  H      -6.624302      1.035596      8.749679
  H      -5.906441     -2.610154      4.878038
  H     -10.323586     -1.429457      4.564007
  H     -11.725666      0.376268      5.558491
  H     -10.721690      1.995270      7.159069
  H      -8.358902      1.814020      7.815393
  N      -3.206932      2.411032      4.989037
  H      -4.168376      2.322507      4.558099
91
Coordinates from ORCA-job orca E -6199.959025677483
  N      -2.488699      4.491342      6.863398
  Mo     -1.932115      2.741448      6.059189
  N      -2.391638      1.322052      7.309340
  C      -1.532317      1.067625      8.455236
  C      -0.923651      2.370598      8.927742
  N      -0.356910      3.074851      7.768808
  C      -0.288985      4.538804      7.922773
  C      -1.683813      5.113783      7.910041
  C       0.933002      2.506637      7.322104
  C       1.033038      2.669295      5.816808
  N      -0.234969      2.277305      5.199213
  H      -1.620935      6.206344      7.754321
  H      -2.180411      4.975592      8.889807
  H       0.284984      4.928719      7.070103
  H       0.247201      4.825681      8.843510
  H       1.848765      2.040027      5.427051
  H       1.283180      3.712855      5.549754
  H       0.945113      1.439671      7.578965
  H       1.773626      2.999335      7.841641
  H      -2.109003      0.621916      9.283428
  H      -0.755939      0.327680      8.180170
  H      -1.712172      3.005983      9.347766
  H      -0.166157      2.198015      9.708736
  C      -3.860523      5.014392      6.929788
  C      -4.897209      4.110912      6.358853
  C      -5.947753      4.492380      5.615552
  C      -6.729452      3.495071      4.866518
  N      -6.065298      2.426848      4.407389
  C      -6.740270      1.555311      3.618255
  N      -7.988179      1.646357      3.214693
  C      -8.698182      2.714109      3.677424
  C     -10.057072      2.858423      3.303722
  C     -10.804493      3.911619      3.795185
  C     -10.228021      4.856787      4.673952
  C      -8.902158      4.747922      5.041258
  C      -8.107001      3.681970      4.545015
  C      -0.201563      1.506959      3.949910
  C      -0.473394      0.069791      4.306068
  C      -1.470655     -0.754434      3.929566
  C      -2.559687     -0.520163      2.991922
  N      -2.669044      0.675411      2.404752
  C      -3.739375      0.889605      1.608938
  N      -4.742491      0.066095      1.359799
  C      -4.647600     -1.180311      1.912443
  C      -5.681997     -2.117860      1.647542
  C      -5.593226     -3.401146      2.137324
  C      -4.470146     -3.792785      2.906334
  C      -3.464488     -2.891039      3.207433
  C      -3.530354     -1.555523      2.731857
  C      -3.532224      0.415395      7.201698
  C      -4.623009      0.812459      8.148623
  C      -5.941919      0.586311      8.028976
  C      -6.593982     -0.168783      6.960564
  N      -5.879997     -1.101399      6.319363
  C      -6.528788     -1.847154      5.395736
  N      -7.804884     -1.787393      5.062933
  C      -8.548073     -0.814407      5.671357
  C      -9.912813     -0.659594      5.317348
  C     -10.663482      0.352993      5.871567
  C     -10.083165      1.252852      6.790021
  C      -8.760899      1.117639      7.163587
  C      -7.969251      0.071120      6.629828
  H      -3.900062      6.002754      6.445762
  H      -4.089261      5.185023      7.999511
  H      -4.726263      3.055033      6.553561
  H      -6.187923      5.542909      5.463443
  H      -6.163789      0.706619      3.253345
  H     -10.483124      2.111508      2.636568
  H     -11.853713      4.020493      3.511284
  H     -10.840349      5.679026      5.058352
  H      -8.466322      5.478724      5.722218
  H       0.799926      1.590633      3.506317
  H      -0.931084      1.879040      3.241336
  H       0.217761     -0.327043      5.045123
  H      -1.483235     -1.729848      4.410334
  H      -3.782784      1.874904      1.132652
  H      -6.528872     -1.791893      1.038391
  H      -6.387523     -4.124038      1.926543
  H      -4.402494     -4.819014      3.271134
  H      -2.613095     -3.227901      3.800084
  H      -3.206020     -0.617374      7.402641
  H      -3.894974      0.409813      6.172148
  H      -4.293989      1.409650      9.006558
  H      -6.592526      1.007855      8.796393
  H      -5.918636     -2.601140      4.885838
  H     -10.331329     -1.349005      4.585943
  H     -11.711184      0.476593      5.588566
  H     -10.684300      2.066052      7.195287
  H      -8.319899      1.832968      7.852960
  N      -3.250208      2.373061      5.002864
  H      -4.229683      2.264254      4.553414
91
Coordinates from ORCA-job orca E -6199.960297621673
  N      -2.502199      4.481690      6.877528
  Mo     -1.952398      2.734176      6.070157
  N      -2.391770      1.301893      7.316726
  C      -1.539356      1.032483      8.462828
  C      -0.928424      2.332866      8.939935
  N      -0.377688      3.042841      7.777783
  C      -0.305717      4.506812      7.939381
  C      -1.697624      5.088071      7.931740
  C       0.906552      2.478496      7.313629
  C       1.007840      2.674332      5.813272
  N      -0.261351      2.311722      5.182486
  H      -1.629779      6.181671      7.789518
  H      -2.196655      4.941003      8.907727
  H       0.266973      4.900177      7.087918
  H       0.233496      4.787176      8.860291
  H       1.816158      2.043714      5.412918
  H       1.270625      3.718749      5.568473
  H       0.912341      1.406075      7.543921
  H       1.751376      2.952837      7.842228
  H      -2.120341      0.582238      9.285192
  H      -0.766092      0.289770      8.187520
  H      -1.715610      2.963614      9.368178
  H      -0.163396      2.162249      9.713178
  C      -3.868835      5.019424      6.932634
  C      -4.909549      4.117427      6.367016
  C      -5.942517      4.495530      5.597635
  C      -6.729624      3.497655      4.858239
  N      -6.072247      2.407320      4.422511
  C      -6.749118      1.531515      3.641506
  N      -7.991781      1.638251      3.225207
  C      -8.696925      2.727917      3.666285
  C     -10.052924      2.883087      3.283419
  C     -10.797250      3.945917      3.760511
  C     -10.219765      4.892146      4.632082
  C      -8.895862      4.776222      5.005882
  C      -8.104130      3.699044      4.525226
  C      -0.225641      1.571483      3.906886
  C      -0.437835      0.114606      4.240105
  C      -1.419648     -0.731294      3.871194
  C      -2.536282     -0.510091      2.959421
  N      -2.671275      0.678588      2.364330
  C      -3.760955      0.877352      1.590940
  N      -4.760044      0.043509      1.370527
  C      -4.639621     -1.197151      1.930335
  C      -5.669361     -2.145175      1.694962
  C      -5.555948     -3.423775      2.190863
  C      -4.412005     -3.799610      2.937095
  C      -3.409740     -2.887140      3.209851
  C      -3.500921     -1.555855      2.727776
  C      -3.538608      0.400748      7.205334
  C      -4.620841      0.796715      8.161828
  C      -5.940513      0.578755      8.046541
  C      -6.597889     -0.168070      6.975246
  N      -5.890662     -1.096570      6.330019
  C      -6.546279     -1.839869      5.406807
  N      -7.821314     -1.784164      5.079716
  C      -8.556216     -0.811863      5.690140
  C      -9.919204     -0.653510      5.338749
  C     -10.659859      0.371913      5.887996
  C     -10.070951      1.280077      6.798990
  C      -8.750582      1.136913      7.172757
  C      -7.969957      0.078020      6.644272
  H      -3.898119      6.004754      6.438022
  H      -4.102413      5.202896      8.000286
  H      -4.753701      3.064936      6.589809
  H      -6.164752      5.547706      5.418093
  H      -6.178145      0.660112      3.297633
  H     -10.479972      2.132131      2.623682
  H     -11.844711      4.060125      3.471680
  H     -10.829833      5.718759      5.006757
  H      -8.459806      5.506169      5.682018
  H       0.762257      1.700360      3.433486
  H      -0.992404      1.938624      3.224574
  H       0.286664     -0.279398      4.955468
  H      -1.392023     -1.717123      4.335812
  H      -3.824557      1.857021      1.106811
  H      -6.532635     -1.831059      1.102726
  H      -6.347235     -4.154587      2.002753
  H      -4.324972     -4.822112      3.306948
  H      -2.542794     -3.212581      3.785841
  H      -3.218887     -0.637997      7.391198
  H      -3.909367      0.410520      6.178204
  H      -4.284915      1.384974      9.022393
  H      -6.587002      0.997163      8.818768
  H      -5.942942     -2.583975      4.891011
  H     -10.344389     -1.346667      4.611387
  H     -11.705867      0.501023      5.605579
  H     -10.663859      2.106102      7.197975
  H      -8.301166      1.858232      7.855926
  N      -3.277917      2.372783      5.025731
  H      -4.244696      2.262414      4.567635
91
Coordinates from ORCA-job orca E -6199.961496465312
  N      -2.515065      4.470156      6.892250
  Mo     -1.969873      2.726875      6.078825
  N      -2.391054      1.276547      7.317098
  C      -1.548932      0.991210      8.467041
  C      -0.935393      2.289471      8.953444
  N      -0.397585      3.007778      7.789053
  C      -0.321090      4.471726      7.961333
  C      -1.710916      5.060386      7.955244
  C       0.882732      2.446729      7.309207
  C       0.990342      2.679407      5.813476
  N      -0.280774      2.350097      5.167089
  H      -1.636532      6.154478      7.825688
  H      -2.215262      4.905126      8.926839
  H       0.253045      4.869571      7.112665
  H       0.219034      4.743355      8.884966
  H       1.791969      2.046900      5.403247
  H       1.268491      3.724248      5.592884
  H       0.879054      1.368649      7.510413
  H       1.732023      2.898504      7.850403
  H      -2.138141      0.536406      9.281309
  H      -0.777976      0.245264      8.194126
  H      -1.722932      2.914360      9.390501
  H      -0.163653      2.119614      9.720517
  C      -3.875165      5.031185      6.927480
  C      -4.917202      4.134265      6.361098
  C      -5.926887      4.510472      5.559299
  C      -6.718951      3.514570      4.825822
  N      -6.069546      2.417869      4.399844
  C      -6.752171      1.530847      3.629305
  N      -7.994619      1.630956      3.214502
  C      -8.692921      2.725282      3.648872
  C     -10.049649      2.862344      3.276183
  C     -10.788256      3.916969      3.755175
  C     -10.202688      4.879302      4.614058
  C      -8.877241      4.784173      4.975442
  C      -8.092431      3.710987      4.495590
  C      -0.236512      1.639889      3.866064
  C      -0.385082      0.165052      4.171577
  C      -1.353646     -0.699755      3.809693
  C      -2.501925     -0.488793      2.927704
  N      -2.651819      0.688054      2.319206
  C      -3.761949      0.872574      1.569697
  N      -4.766288      0.034305      1.383033
  C      -4.632308     -1.195323      1.956776
  C      -5.669769     -2.146530      1.760371
  C      -5.547142     -3.414628      2.273798
  C      -4.385589     -3.776005      2.999133
  C      -3.373285     -2.859786      3.232755
  C      -3.473783     -1.538565      2.732583
  C      -3.546730      0.382081      7.200825
  C      -4.622592      0.774976      8.166855
  C      -5.944209      0.562688      8.056590
  C      -6.608382     -0.178561      6.985456
  N      -5.908244     -1.120912      6.341787
  C      -6.569161     -1.859899      5.419418
  N      -7.846298     -1.789474      5.095344
  C      -8.574440     -0.802811      5.703798
  C      -9.937741     -0.626412      5.352877
  C     -10.669229      0.413862      5.897280
  C     -10.070803      1.317115      6.803363
  C      -8.750415      1.155440      7.178063
  C      -7.979214      0.083029      6.654205
  H      -3.887778      6.014487      6.421821
  H      -4.120269      5.228409      7.991205
  H      -4.781798      3.084217      6.614966
  H      -6.127646      5.566071      5.349481
  H      -6.186302      0.655120      3.292971
  H     -10.482594      2.097081      2.627266
  H     -11.836976      4.011886      3.477977
  H     -10.808039      5.697056      4.991334
  H      -8.435147      5.523656      5.643585
  H       0.735880      1.818616      3.367206
  H      -1.038881      1.998034      3.208095
  H       0.376228     -0.227052      4.860104
  H      -1.286203     -1.694808      4.255707
  H      -3.836841      1.841536      1.073466
  H      -6.547128     -1.843471      1.184416
  H      -6.345819     -4.147526      2.116824
  H      -4.292164     -4.790175      3.383937
  H      -2.493780     -3.174450      3.794447
  H      -3.233846     -0.663573      7.372662
  H      -3.924654      0.406391      6.175315
  H      -4.279884      1.354406      9.029551
  H      -6.586225      0.980139      8.832075
  H      -5.969593     -2.618346      4.904326
  H     -10.370059     -1.315678      4.628498
  H     -11.715050      0.558785      5.613987
  H     -10.656410      2.155216      7.197039
  H      -8.292849      1.872594      7.857286
  N      -3.294724      2.376335      5.031472
  H      -4.244551      2.269312      4.556009
91
Coordinates from ORCA-job orca E -6199.962636725760
  N      -2.531787      4.458346      6.906702
  Mo     -1.994014      2.714367      6.090255
  N      -2.392480      1.254185      7.328823
  C      -1.552721      0.967417      8.482946
  C      -0.933217      2.266908      8.963879
  N      -0.411392      2.986225      7.790641
  C      -0.332812      4.451610      7.966408
  C      -1.722447      5.044376      7.966261
  C       0.863351      2.425065      7.294129
  C       0.968059      2.680128      5.801454
  N      -0.307950      2.375710      5.153508
  H      -1.646575      6.137800      7.839612
  H      -2.224957      4.888036      8.937976
  H       0.237006      4.850519      7.115920
  H       0.211916      4.719903      8.888802
  H       1.762193      2.043601      5.381553
  H       1.257552      3.723889      5.593233
  H       0.852479      1.343688      7.477353
  H       1.718643      2.860284      7.838133
  H      -2.145856      0.517536      9.296150
  H      -0.784179      0.216561      8.216085
  H      -1.717821      2.890492      9.410182
  H      -0.150763      2.100312      9.721484
  C      -3.886512      5.036174      6.931434
  C      -4.932099      4.141061      6.367702
  C      -5.926212      4.512878      5.545169
  C      -6.726925      3.519184      4.821440
  N      -6.086248      2.423573      4.398440
  C      -6.775626      1.541311      3.634489
  N      -8.017959      1.647103      3.223316
  C      -8.708510      2.741789      3.655290
  C     -10.063733      2.893734      3.281733
  C     -10.792825      3.970765      3.747006
  C     -10.198591      4.936392      4.594455
  C      -8.874409      4.819814      4.959791
  C      -8.099201      3.726712      4.492259
  C      -0.252571      1.680080      3.841754
  C      -0.349942      0.195135      4.129006
  C      -1.302188     -0.688809      3.766233
  C      -2.473683     -0.489654      2.901720
  N      -2.648583      0.681547      2.289293
  C      -3.772646      0.851892      1.553323
  N      -4.764398      0.001004      1.378816
  C      -4.605581     -1.223246      1.956262
  C      -5.629467     -2.186206      1.774326
  C      -5.486398     -3.448116      2.296438
  C      -4.317961     -3.790522      3.017403
  C      -3.316403     -2.863073      3.234735
  C      -3.436260     -1.548705      2.723943
  C      -3.553828      0.362597      7.218921
  C      -4.626750      0.765743      8.182262
  C      -5.950724      0.564535      8.068340
  C      -6.620829     -0.174335      6.995749
  N      -5.929541     -1.133628      6.355516
  C      -6.595787     -1.873047      5.430785
  N      -7.871643     -1.791897      5.104918
  C      -8.590816     -0.792317      5.711242
  C      -9.951490     -0.615780      5.362208
  C     -10.673579      0.418142      5.910760
  C     -10.067818      1.320452      6.816734
  C      -8.749857      1.164325      7.188158
  C      -7.988615      0.094098      6.662339
  H      -3.886840      6.017097      6.415651
  H      -4.135799      5.245723      7.994346
  H      -4.815263      3.093512      6.646079
  H      -6.107651      5.572951      5.309655
  H      -6.214658      0.670838      3.298815
  H     -10.502188      2.132328      2.638532
  H     -11.839890      4.085518      3.465076
  H     -10.795904      5.780571      4.956806
  H      -8.424819      5.566999      5.616678
  H       0.708481      1.898179      3.329464
  H      -1.076096      2.023468      3.197012
  H       0.438338     -0.190877      4.799871
  H      -1.200434     -1.691251      4.196120
  H      -3.868972      1.817525      1.055441
  H      -6.513906     -1.896830      1.203829
  H      -6.275281     -4.189600      2.151370
  H      -4.208950     -4.799320      3.410129
  H      -2.430014     -3.163913      3.792301
  H      -3.245269     -0.681752      7.394993
  H      -3.935362      0.382842      6.196655
  H      -4.279969      1.343235      9.045146
  H      -6.589642      0.991306      8.839759
  H      -6.002156     -2.649836      4.918425
  H     -10.389719     -1.307479      4.639131
  H     -11.717238      0.556699      5.631690
  H     -10.645784      2.148901      7.214536
  H      -8.285716      1.876755      7.869111
  N      -3.317998      2.367123      5.032868
  H      -4.243187      2.263576      4.546878
91
Coordinates from ORCA-job orca E -6199.964194298374
  N      -2.546351      4.450106      6.921859
  Mo     -2.016983      2.711794      6.093368
  N      -2.394238      1.233339      7.323193
  C      -1.554817      0.944282      8.481215
  C      -0.928817      2.245389      8.963575
  N      -0.420548      2.973256      7.786131
  C      -0.339692      4.438277      7.975243
  C      -1.730402      5.031105      7.983129
  C       0.849387      2.413278      7.275016
  C       0.951872      2.689585      5.784551
  N      -0.330997      2.409252      5.135465
  H      -1.652225      6.126453      7.863447
  H      -2.231740      4.867654      8.956152
  H       0.227205      4.844079      7.126792
  H       0.208318      4.697612      8.898265
  H       1.739252      2.048687      5.356103
  H       1.254155      3.732719      5.586701
  H       0.830093      1.329132      7.441323
  H       1.710769      2.832094      7.823052
  H      -2.151534      0.496573      9.292171
  H      -0.788626      0.190855      8.216761
  H      -1.709101      2.864611      9.423324
  H      -0.135819      2.078105      9.710376
  C      -3.896190      5.041895      6.936967
  C      -4.941185      4.155213      6.363348
  C      -5.921808      4.523339      5.523154
  C      -6.734312      3.532576      4.807476
  N      -6.105915      2.429726      4.387312
  C      -6.806663      1.546838      3.633120
  N      -8.050339      1.661174      3.227468
  C      -8.729958      2.762642      3.658941
  C     -10.085976      2.925789      3.291590
  C     -10.804035      4.011466      3.757036
  C     -10.197732      4.971936      4.599004
  C      -8.871870      4.844769      4.957599
  C      -8.107698      3.745919      4.488219
  C      -0.259593      1.710045      3.832013
  C      -0.331199      0.227456      4.113014
  C      -1.267676     -0.672299      3.746396
  C      -2.445170     -0.492179      2.885869
  N      -2.634946      0.670995      2.267414
  C      -3.763234      0.823532      1.535006
  N      -4.741230     -0.042100      1.363113
  C      -4.567156     -1.258997      1.947294
  C      -5.575943     -2.235794      1.770714
  C      -5.422772     -3.488807      2.307461
  C      -4.260293     -3.807369      3.039487
  C      -3.271220     -2.866850      3.248567
  C      -3.398775     -1.562271      2.719808
  C      -3.558191      0.338284      7.217004
  C      -4.629328      0.745336      8.187886
  C      -5.959723      0.548831      8.080104
  C      -6.637696     -0.187133      7.010469
  N      -5.952728     -1.142680      6.366660
  C      -6.623132     -1.870733      5.439571
  N      -7.899165     -1.788614      5.117312
  C      -8.612915     -0.795511      5.728648
  C      -9.973181     -0.610866      5.380547
  C     -10.688603      0.437170      5.923282
  C     -10.076548      1.343078      6.823531
  C      -8.759473      1.172393      7.198277
  C      -8.005012      0.087742      6.678421
  H      -3.884916      6.021406      6.421977
  H      -4.151248      5.252700      7.995982
  H      -4.840484      3.110355      6.656669
  H      -6.088059      5.583950      5.272067
  H      -6.254671      0.666170      3.303169
  H     -10.533370      2.169213      2.652296
  H     -11.851739      4.137139      3.479195
  H     -10.786413      5.823692      4.960859
  H      -8.412188      5.590266      5.608820
  H       0.695967      1.950706      3.329358
  H      -1.080464      2.032855      3.185144
  H       0.461965     -0.145316      4.780551
  H      -1.150210     -1.672522      4.172029
  H      -3.873686      1.785453      1.035760
  H      -6.458452     -1.963577      1.195337
  H      -6.200587     -4.240180      2.167807
  H      -4.143983     -4.808571      3.445440
  H      -2.386940     -3.150854      3.813560
  H      -3.247726     -0.709597      7.395864
  H      -3.943877      0.355960      6.193610
  H      -4.276584      1.316566      9.051594
  H      -6.596463      0.977662      8.854092
  H      -6.032988     -2.634630      4.921154
  H     -10.415988     -1.300230      4.659376
  H     -11.731379      0.587919      5.641784
  H     -10.649136      2.190252      7.212223
  H      -8.290049      1.890088      7.874409
  N      -3.320190      2.380368      5.020931
  H      -4.222589      2.290535      4.514198
91
Coordinates from ORCA-job orca E -6199.965243271868
  N      -2.553256      4.446074      6.930795
  Mo     -2.038625      2.704092      6.102305
  N      -2.406541      1.218594      7.333619
  C      -1.568386      0.935078      8.495048
  C      -0.930397      2.234311      8.967492
  N      -0.429712      2.959065      7.782029
  C      -0.338831      4.423933      7.974093
  C      -1.727917      5.024130      7.987115
  C       0.832953      2.389550      7.260190
  C       0.932203      2.680664      5.771593
  N      -0.357407      2.423646      5.126295
  H      -1.644767      6.119431      7.865747
  H      -2.226600      4.862668      8.962263
  H       0.227800      4.828651      7.123989
  H       0.213362      4.675855      8.896205
  H       1.710449      2.031585      5.335397
  H       1.248844      3.722402      5.579157
  H       0.799729      1.302498      7.415799
  H       1.702355      2.789812      7.809916
  H      -2.169622      0.499227      9.308361
  H      -0.806843      0.173914      8.239273
  H      -1.703214      2.858552      9.435137
  H      -0.127699      2.064330      9.704711
  C      -3.896482      5.055107      6.934738
  C      -4.944118      4.173987      6.355743
  C      -5.909133      4.542649      5.495480
  C      -6.735634      3.555333      4.786152
  N      -6.122736      2.439237      4.366290
  C      -6.838729      1.554786      3.621642
  N      -8.084592      1.679303      3.224914
  C      -8.749518      2.792249      3.659457
  C     -10.107891      2.960169      3.306630
  C     -10.813050      4.041646      3.785193
  C     -10.190639      4.997026      4.623261
  C      -8.861025      4.871808      4.963669
  C      -8.110436      3.775554      4.481597
  C      -0.278656      1.724277      3.828151
  C      -0.312385      0.241832      4.102436
  C      -1.228869     -0.675195      3.728916
  C      -2.422852     -0.502513      2.881649
  N      -2.653852      0.672722      2.286474
  C      -3.800633      0.818606      1.573624
  N      -4.758007     -0.067300      1.398471
  C      -4.541070     -1.295121      1.957799
  C      -5.525439     -2.291758      1.777243
  C      -5.330121     -3.553795      2.293184
  C      -4.149759     -3.861292      3.008812
  C      -3.183925     -2.901992      3.220775
  C      -3.352743     -1.589668      2.710991
  C      -3.574760      0.326769      7.237513
  C      -4.645660      0.753592      8.195553
  C      -5.976440      0.570062      8.079225
  C      -6.656587     -0.166402      7.010149
  N      -5.974821     -1.120263      6.363976
  C      -6.646453     -1.844917      5.433785
  N      -7.921986     -1.764849      5.113262
  C      -8.633135     -0.776511      5.729462
  C      -9.992987     -0.597348      5.385862
  C     -10.705426      0.449073      5.931140
  C     -10.090746      1.358341      6.829837
  C      -8.774523      1.190949      7.202094
  C      -8.023117      0.107212      6.679959
  H      -3.871076      6.033190      6.416102
  H      -4.157051      5.272206      7.991212
  H      -4.866722      3.126497      6.666877
  H      -6.057164      5.606309      5.229513
  H      -6.299669      0.655847      3.297370
  H     -10.568292      2.203371      2.672085
  H     -11.863503      4.165443      3.522127
  H     -10.769699      5.839443      4.998346
  H      -8.388993      5.610710      5.613140
  H       0.668548      1.991967      3.321392
  H      -1.109241      2.027017      3.185936
  H       0.495721     -0.119458      4.760037
  H      -1.081309     -1.681063      4.137393
  H      -3.946787      1.793350      1.095915
  H      -6.424622     -2.026746      1.217667
  H      -6.089022     -4.319791      2.150737
  H      -4.000159     -4.868707      3.398184
  H      -2.282925     -3.176904      3.771120
  H      -3.268198     -0.713791      7.434488
  H      -3.959516      0.328381      6.217085
  H      -4.293274      1.326347      9.059066
  H      -6.612424      1.010233      8.846925
  H      -6.057261     -2.600805      4.910735
  H     -10.437867     -1.288464      4.665531
  H     -11.747732      0.596579      5.652625
  H     -10.661027      2.205666      7.219059
  H      -8.302906      1.910262      7.878300
  N      -3.330574      2.372153      5.010460
  H      -4.232069      2.281286      4.480498
91
Coordinates from ORCA-job orca E -6199.965877081682
  N      -2.572278      4.425716      6.963359
  Mo     -2.067252      2.696055      6.116161
  N      -2.404351      1.184376      7.332126
  C      -1.562529      0.899436      8.495539
  C      -0.916745      2.198412      8.970823
  N      -0.437495      2.939657      7.783426
  C      -0.346987      4.404091      7.993418
  C      -1.739116      4.999518      8.021705
  C       0.817387      2.376312      7.237422
  C       0.904610      2.699737      5.754552
  N      -0.392876      2.466191      5.112517
  H      -1.658920      6.096828      7.909115
  H      -2.231194      4.827506      8.999306
  H       0.212641      4.819679      7.145173
  H       0.211061      4.645374      8.913823
  H       1.674098      2.059038      5.298229
  H       1.226388      3.742154      5.583941
  H       0.776263      1.286865      7.367040
  H       1.694183      2.757888      7.789539
  H      -2.164926      0.465058      9.308138
  H      -0.804378      0.136543      8.238847
  H      -1.679298      2.815121      9.460278
  H      -0.099010      2.023742      9.688923
  C      -3.911531      5.042767      6.959079
  C      -4.957035      4.170331      6.363635
  C      -5.901995      4.534651      5.479507
  C      -6.733614      3.553205      4.772283
  N      -6.126461      2.421575      4.369989
  C      -6.845320      1.539359      3.629137
  N      -8.089900      1.678392      3.224717
  C      -8.750237      2.807134      3.644284
  C     -10.108573      2.983148      3.287771
  C     -10.810625      4.066585      3.760769
  C     -10.184780      5.020872      4.593588
  C      -8.854337      4.891275      4.935040
  C      -8.107736      3.787635      4.461541
  C      -0.313041      1.777304      3.802997
  C      -0.311526      0.295315      4.060634
  C      -1.216138     -0.636687      3.692168
  C      -2.417587     -0.489799      2.857994
  N      -2.668675      0.675263      2.258211
  C      -3.813922      0.790952      1.546929
  N      -4.750824     -0.118411      1.375369
  C      -4.515511     -1.335427      1.946544
  C      -5.478683     -2.355004      1.776204
  C      -5.269448     -3.603208      2.316154
  C      -4.095055     -3.873925      3.044868
  C      -3.146919     -2.893083      3.241599
  C      -3.329420     -1.595277      2.704922
  C      -3.578132      0.295346      7.246464
  C      -4.641395      0.738778      8.206368
  C      -5.972013      0.579822      8.086184
  C      -6.659988     -0.150671      7.019311
  N      -5.987958     -1.116755      6.375396
  C      -6.665981     -1.839514      5.445210
  N      -7.941987     -1.742060      5.123899
  C      -8.644108     -0.740421      5.739681
  C     -10.003684     -0.542524      5.395996
  C     -10.706334      0.504961      5.944974
  C     -10.082206      1.393662      6.848939
  C      -8.766667      1.213891      7.219736
  C      -8.024999      0.134516      6.691583
  H      -3.876649      6.018142      6.445890
  H      -4.176303      5.256225      8.011285
  H      -4.901054      3.129423      6.686909
  H      -6.038600      5.585967      5.205478
  H      -6.310979      0.624962      3.321462
  H     -10.573166      2.221725      2.660090
  H     -11.861910      4.190125      3.498594
  H     -10.761889      5.858938      4.966836
  H      -8.379895      5.622786      5.583019
  H       0.622313      2.072453      3.292294
  H      -1.158900      2.067927      3.169476
  H       0.506786     -0.052731      4.706458
  H      -1.048221     -1.637768      4.094534
  H      -3.977427      1.759957      1.066397
  H      -6.375002     -2.117681      1.209056
  H      -6.013777     -4.385808      2.184156
  H      -3.935544     -4.869507      3.456274
  H      -2.250843     -3.138779      3.804801
  H      -3.273969     -0.744607      7.453598
  H      -3.968402      0.290990      6.225585
  H      -4.281731      1.307737      9.069727
  H      -6.603063      1.031571      8.851995
  H      -6.082269     -2.610963      4.923334
  H     -10.456065     -1.225246      4.674638
  H     -11.748486      0.662425      5.668358
  H     -10.644859      2.230748      7.244579
  H      -8.288382      1.913320      7.902027
  N      -3.345028      2.382125      5.018785
  H      -4.247490      2.298227      4.462855
91
Coordinates from ORCA-job orca E -6199.966860766883
  N      -2.590998      4.399492      6.982191
  Mo     -2.086499      2.671187      6.136004
  N      -2.397319      1.153444      7.350911
  C      -1.554545      0.881615      8.519821
  C      -0.906557      2.181542      8.987308
  N      -0.443866      2.923020      7.792750
  C      -0.358151      4.389475      8.003076
  C      -1.755655      4.980959      8.034275
  C       0.806755      2.361520      7.232347
  C       0.884993      2.703885      5.753204
  N      -0.416512      2.485926      5.114254
  H      -1.682490      6.075468      7.915376
  H      -2.243603      4.812779      9.013871
  H       0.196812      4.805676      7.151993
  H       0.201902      4.632355      8.922682
  H       1.649421      2.071041      5.282552
  H       1.207113      3.745910      5.597280
  H       0.760942      1.270992      7.345975
  H       1.688132      2.730490      7.784951
  H      -2.159328      0.456087      9.334695
  H      -0.795523      0.116798      8.271504
  H      -1.663273      2.796470      9.488374
  H      -0.076857      2.008892      9.692674
  C      -3.926598      5.024219      6.960678
  C      -4.966864      4.147572      6.358819
  C      -5.888910      4.501180      5.446883
  C      -6.721347      3.518943      4.743906
  N      -6.117047      2.393599      4.343423
  C      -6.840399      1.512801      3.607317
  N      -8.088832      1.644678      3.211421
  C      -8.744509      2.769857      3.628927
  C     -10.104426      2.942025      3.278906
  C     -10.799216      4.038912      3.741535
  C     -10.164370      5.011746      4.556380
  C      -8.833222      4.878735      4.894657
  C      -8.094964      3.757621      4.433708
  C      -0.334347      1.816274      3.789517
  C      -0.301330      0.332093      4.017853
  C      -1.198737     -0.607255      3.644844
  C      -2.412657     -0.466333      2.830094
  N      -2.681101      0.700499      2.241912
  C      -3.834899      0.810788      1.545646
  N      -4.766988     -0.105025      1.381416
  C      -4.518056     -1.322043      1.947950
  C      -5.481132     -2.346493      1.794154
  C      -5.261599     -3.591257      2.339945
  C      -4.074662     -3.854450      3.055586
  C      -3.125606     -2.869203      3.233401
  C      -3.319499     -1.575737      2.689991
  C      -3.571303      0.263207      7.274350
  C      -4.634182      0.716608      8.230605
  C      -5.964977      0.575084      8.104288
  C      -6.659540     -0.148321      7.038215
  N      -5.996332     -1.106249      6.389873
  C      -6.681688     -1.819048      5.457322
  N      -7.956793     -1.716431      5.136551
  C      -8.649691     -0.718396      5.757114
  C     -10.007551     -0.502134      5.411292
  C     -10.699302      0.561655      5.956643
  C     -10.065906      1.442747      6.861901
  C      -8.752999      1.238861      7.238437
  C      -8.022080      0.148011      6.711472
  H      -3.882905      5.995013      6.438599
  H      -4.197158      5.246346      8.011269
  H      -4.932487      3.114221      6.706189
  H      -6.015717      5.541645      5.157248
  H      -6.306881      0.613083      3.295022
  H     -10.576251      2.169425      2.663353
  H     -11.851292      4.161734      3.483066
  H     -10.735177      5.865635      4.918966
  H      -8.350909      5.622652      5.529686
  H       0.589375      2.140502      3.278850
  H      -1.193547      2.100018      3.165326
  H       0.527051     -0.011112      4.649278
  H      -1.012185     -1.609318      4.027467
  H      -4.013241      1.782276      1.074817
  H      -6.387792     -2.114896      1.238468
  H      -6.007422     -4.376940      2.222709
  H      -3.908093     -4.846593      3.473386
  H      -2.223360     -3.105625      3.791134
  H      -3.265989     -0.771546      7.493076
  H      -3.960829      0.248959      6.253690
  H      -4.272339      1.281837      9.095486
  H      -6.594098      1.032392      8.868824
  H      -6.105052     -2.578917      4.929675
  H     -10.466489     -1.177050      4.687871
  H     -11.739820      0.739463      5.675387
  H     -10.619505      2.296792      7.252404
  H      -8.268029      1.933530      7.922182
  N      -3.364378      2.356501      5.031148
  H      -4.262584      2.267565      4.461988
91
Coordinates from ORCA-job orca E -6199.967448505666
  N      -2.604318      4.377984      6.983246
  Mo     -2.092371      2.643152      6.152821
  N      -2.385422      1.135286      7.377298
  C      -1.543339      0.885695      8.552258
  C      -0.897325      2.186585      9.006243
  N      -0.443993      2.918375      7.803016
  C      -0.367527      4.387567      8.002008
  C      -1.772044      4.974480      8.025994
  C       0.806879      2.357881      7.237788
  C       0.879283      2.704701      5.759178
  N      -0.422991      2.491284      5.123255
  H      -1.708085      6.064088      7.891239
  H      -2.258668      4.817870      9.007341
  H       0.185305      4.798855      7.145857
  H       0.190088      4.640651      8.922420
  H       1.644284      2.077834      5.281067
  H       1.196640      3.747029      5.608830
  H       0.761773      1.267112      7.345763
  H       1.689236      2.722919      7.789373
  H      -2.150176      0.472020      9.371577
  H      -0.780620      0.120236      8.315515
  H      -1.652193      2.803867      9.511126
  H      -0.059407      2.018479      9.705499
  C      -3.936584      5.010257      6.934664
  C      -4.966481      4.114911      6.335834
  C      -5.867628      4.449487      5.397950
  C      -6.704405      3.453204      4.709862
  N      -6.109080      2.320866      4.312830
  C      -6.843397      1.436529      3.587646
  N      -8.094135      1.574771      3.200016
  C      -8.738610      2.709107      3.613393
  C     -10.098569      2.897193      3.267265
  C     -10.781934      4.004550      3.726226
  C     -10.136500      4.965502      4.536876
  C      -8.804951      4.819880      4.869232
  C      -8.077774      3.694825      4.408393
  C      -0.337914      1.841390      3.793263
  C      -0.293149      0.357457      3.991365
  C      -1.188484     -0.580678      3.607194
  C      -2.412132     -0.430030      2.814034
  N      -2.684095      0.747664      2.243582
  C      -3.850439      0.874001      1.570101
  N      -4.794932     -0.033321      1.417299
  C      -4.547192     -1.258684      1.972782
  C      -5.530041     -2.272216      1.840269
  C      -5.312579     -3.522236      2.382415
  C      -4.106708     -3.802307      3.070877
  C      -3.138783     -2.827769      3.226957
  C      -3.331313     -1.530281      2.686763
  C      -3.550489      0.233881      7.297085
  C      -4.623451      0.681296      8.250155
  C      -5.957542      0.544866      8.117959
  C      -6.656872     -0.170392      7.049841
  N      -6.003501     -1.138548      6.404678
  C      -6.692205     -1.829230      5.463302
  N      -7.964221     -1.695835      5.129887
  C      -8.648109     -0.690950      5.750248
  C     -10.001334     -0.447794      5.395494
  C     -10.683508      0.615946      5.944831
  C     -10.044058      1.478068      6.860391
  C      -8.735714      1.249882      7.244947
  C      -8.014970      0.150831      6.716615
  H      -3.884639      5.974926      6.390914
  H      -4.217779      5.251846      7.984276
  H      -4.950245      3.089124      6.716960
  H      -5.977292      5.491459      5.074293
  H      -6.318094      0.529613      3.277695
  H     -10.578527      2.135993      2.654176
  H     -11.833573      4.143023      3.468672
  H     -10.698480      5.828537      4.896676
  H      -8.312638      5.559797      5.498110
  H       0.578331      2.185833      3.296303
  H      -1.193701      2.120948      3.173785
  H       0.539571      0.011441      4.609014
  H      -0.991235     -1.587547      3.962540
  H      -4.031599      1.853886      1.113253
  H      -6.450713     -2.027899      1.305835
  H      -6.073644     -4.299573      2.282081
  H      -3.942925     -4.797989      3.486888
  H      -2.225796     -3.072888      3.768350
  H      -3.238292     -0.799242      7.520423
  H      -3.929917      0.214694      6.271415
  H      -4.264695      1.241170      9.119389
  H      -6.587774      1.002963      8.881658
  H      -6.122426     -2.600359      4.939257
  H     -10.464011     -1.105315      4.663480
  H     -11.720394      0.812281      5.657532
  H     -10.589100      2.338507      7.251993
  H      -8.246828      1.929222      7.938138
  N      -3.369896      2.318640      5.046212
  H      -4.250782      2.218821      4.481017
91
Coordinates from ORCA-job orca E -6199.967867028201
  N      -2.616015      4.357861      7.004011
  Mo     -2.110635      2.632626      6.163350
  N      -2.389508      1.115848      7.376445
  C      -1.532805      0.862218      8.540038
  C      -0.878050      2.159731      8.998904
  N      -0.441003      2.914970      7.804495
  C      -0.374051      4.380957      8.016749
  C      -1.780889      4.954043      8.054157
  C       0.804180      2.369828      7.220920
  C       0.858368      2.730114      5.746160
  N      -0.448607      2.508966      5.121468
  H      -1.724816      6.049463      7.927471
  H      -2.258538      4.781533      9.039461
  H       0.169700      4.806594      7.163808
  H       0.185046      4.630023      8.935194
  H       1.624368      2.118233      5.251294
  H       1.163690      3.778310      5.607823
  H       0.762186      1.278636      7.315207
  H       1.689592      2.734047      7.767992
  H      -2.130262      0.444553      9.365454
  H      -0.777605      0.097841      8.285470
  H      -1.617411      2.769569      9.528632
  H      -0.029500      1.976100      9.678143
  C      -3.945739      4.991354      6.952856
  C      -4.971778      4.106485      6.334315
  C      -5.851996      4.454340      5.379486
  C      -6.698614      3.474223      4.686976
  N      -6.115072      2.345611      4.285487
  C      -6.864430      1.458332      3.574033
  N      -8.122576      1.588535      3.209016
  C      -8.752599      2.724996      3.622510
  C     -10.116396      2.916870      3.292555
  C     -10.783106      4.040299      3.745577
  C     -10.118625      5.004990      4.538849
  C      -8.784219      4.851106      4.857951
  C      -8.073000      3.718646      4.398564
  C      -0.368189      1.877101      3.783340
  C      -0.292497      0.387642      3.960799
  C      -1.174590     -0.563075      3.584559
  C      -2.422834     -0.427974      2.829803
  N      -2.719389      0.741787      2.268044
  C      -3.898274      0.850231      1.613473
  N      -4.829683     -0.069713      1.465663
  C      -4.559611     -1.284853      2.020681
  C      -5.528155     -2.310112      1.897830
  C      -5.287430     -3.549555      2.444876
  C      -4.072175     -3.807750      3.127816
  C      -3.114774     -2.823420      3.268931
  C      -3.330980     -1.535961      2.721788
  C      -3.549128      0.208085      7.289912
  C      -4.626277      0.653625      8.242970
  C      -5.959271      0.530982      8.101889
  C      -6.653064     -0.168624      7.029065
  N      -6.000135     -1.152930      6.398367
  C      -6.683093     -1.831050      5.452614
  N      -7.949822     -1.686297      5.104842
  C      -8.634673     -0.678184      5.716783
  C      -9.982960     -0.449271      5.358601
  C     -10.666910      0.608461      5.904393
  C     -10.031523      1.495761      6.812679
  C      -8.727246      1.279919      7.200274
  C      -8.006973      0.167346      6.683366
  H      -3.886357      5.954411      6.423360
  H      -4.233266      5.219127      7.995614
  H      -4.983277      3.083833      6.721597
  H      -5.928959      5.499658      5.039099
  H      -6.348356      0.547372      3.263659
  H     -10.610357      2.160150      2.689422
  H     -11.836096      4.191010      3.494613
  H     -10.667091      5.888649      4.889382
  H      -8.274184      5.602261      5.469279
  H       0.540728      2.246772      3.283517
  H      -1.227536      2.150842      3.175124
  H       0.572722      0.040307      4.544544
  H      -0.932605     -1.577664      3.911511
  H      -4.097358      1.821768      1.161178
  H      -6.455763     -2.083338      1.367141
  H      -6.036072     -4.336714      2.351548
  H      -3.892081     -4.794414      3.550611
  H      -2.192451     -3.051310      3.806636
  H      -3.231917     -0.833337      7.513694
  H      -3.922176      0.191064      6.254520
  H      -4.271871      1.200894      9.118845
  H      -6.592523      0.987219      8.865024
  H      -6.113224     -2.611275      4.938301
  H     -10.441800     -1.119912      4.629917
  H     -11.700427      0.787991      5.617263
  H     -10.576310      2.363534      7.197324
  H      -8.241262      1.976633      7.890887
  N      -3.395935      2.294065      5.057770
  H      -4.299691      2.182333      4.496006
91
Coordinates from ORCA-job orca E -6199.968717212399
  N      -2.616320      4.354277      7.019081
  Mo     -2.121150      2.625811      6.182398
  N      -2.390134      1.122050      7.409222
  C      -1.523694      0.878589      8.568132
  C      -0.861571      2.176448      9.007810
  N      -0.433671      2.926232      7.807836
  C      -0.370724      4.391973      8.008635
  C      -1.775848      4.959598      8.058412
  C       0.803978      2.378348      7.215080
  C       0.843715      2.731060      5.738724
  N      -0.467142      2.499437      5.129168
  H      -1.727643      6.056150      7.924538
  H      -2.240002      4.788073      9.048801
  H       0.160863      4.816219      7.149021
  H       0.194279      4.649081      8.918753
  H       1.609607      2.121665      5.237106
  H       1.141020      3.783332      5.595685
  H       0.761269      1.286436      7.315320
  H       1.694021      2.746063      7.750085
  H      -2.113288      0.471493      9.404963
  H      -0.774432      0.109197      8.311130
  H      -1.590924      2.794251      9.543896
  H      -0.007079      1.987335      9.677749
  C      -3.944800      4.987261      6.973659
  C      -4.972188      4.104804      6.352808
  C      -5.838525      4.465559      5.390324
  C      -6.691784      3.499021      4.693497
  N      -6.115564      2.364027      4.295046
  C      -6.870503      1.484038      3.587372
  N      -8.128163      1.622106      3.227576
  C      -8.750957      2.762830      3.636640
  C     -10.115152      2.956094      3.314113
  C     -10.773960      4.085155      3.762491
  C     -10.100811      5.057214      4.542499
  C      -8.766478      4.899134      4.856360
  C      -8.064003      3.756068      4.404313
  C      -0.401310      1.885860      3.780492
  C      -0.315080      0.389930      3.938649
  C      -1.192625     -0.563092      3.560982
  C      -2.452119     -0.431180      2.823419
  N      -2.756868      0.741534      2.262625
  C      -3.937020      0.840949      1.609784
  N      -4.857794     -0.092310      1.455294
  C      -4.580407     -1.307846      2.011903
  C      -5.536098     -2.345182      1.881330
  C      -5.290482     -3.583118      2.434189
  C      -4.085758     -3.827277      3.133116
  C      -3.137574     -2.833407      3.277072
  C      -3.356651     -1.547097      2.721379
  C      -3.544167      0.214291      7.336455
  C      -4.631557      0.677360      8.251558
  C      -5.964686      0.533089      8.094342
  C      -6.646493     -0.201239      7.028525
  N      -5.987479     -1.193422      6.415399
  C      -6.659954     -1.885949      5.467647
  N      -7.918742     -1.741735      5.100158
  C      -8.609135     -0.727939      5.696282
  C      -9.949412     -0.486130      5.312073
  C     -10.638467      0.586172      5.838722
  C     -10.016614      1.460268      6.759311
  C      -8.720217      1.234373      7.170160
  C      -7.994622      0.124092      6.666314
  H      -3.882319      5.948180      6.444248
  H      -4.231820      5.213570      8.014863
  H      -4.998964      3.085116      6.746074
  H      -5.891967      5.511932      5.042379
  H      -6.358758      0.575791      3.274078
  H     -10.616618      2.193880      2.721080
  H     -11.826843      4.235530      3.517305
  H     -10.642812      5.944969      4.888992
  H      -8.249333      5.651834      5.459412
  H       0.505568      2.266102      3.272023
  H      -1.268361      2.167888      3.183965
  H       0.567409      0.035265      4.500401
  H      -0.930537     -1.582842      3.869102
  H      -4.144023      1.815051      1.159781
  H      -6.457326     -2.128298      1.340254
  H      -6.028903     -4.379559      2.335223
  H      -3.904190     -4.811723      3.564063
  H      -2.220713     -3.051237      3.825524
  H      -3.227962     -0.804432      7.596015
  H      -3.900409      0.160111      6.309701
  H      -4.287195      1.255775      9.116349
  H      -6.607060      1.003607      8.836074
  H      -6.088279     -2.666228      4.965735
  H     -10.396815     -1.151109      4.576465
  H     -11.665701      0.779485      5.530102
  H     -10.564379      2.328394      7.133760
  H      -8.244919      1.924745      7.868791
  N      -3.404395      2.277986      5.084156
  H      -4.309154      2.154745      4.530230
91
Coordinates from ORCA-job orca E -6199.969204455218
  N      -2.631194      4.334912      7.026098
  Mo     -2.131621      2.603619      6.197393
  N      -2.387157      1.107017      7.432591
  C      -1.517206      0.870794      8.590064
  C      -0.861669      2.174388      9.024070
  N      -0.437063      2.921653      7.819001
  C      -0.384058      4.388118      8.011739
  C      -1.793372      4.952152      8.055768
  C       0.800434      2.373029      7.221397
  C       0.838046      2.728782      5.742241
  N      -0.478064      2.494557      5.136355
  H      -1.752591      6.045348      7.907729
  H      -2.257394      4.787982      9.048274
  H       0.147970      4.811162      7.148454
  H       0.177637      4.654628      8.924267
  H       1.607865      2.120374      5.237970
  H       1.132699      3.786115      5.597439
  H       0.755042      1.278760      7.322629
  H       1.695443      2.738448      7.753907
  H      -2.103965      0.466103      9.432093
  H      -0.765345      0.101702      8.331798
  H      -1.596576      2.792594      9.562344
  H      -0.004384      1.988187      9.697629
  C      -3.959114      4.973024      6.970399
  C      -4.985425      4.082851      6.353907
  C      -5.831142      4.442286      5.375899
  C      -6.690594      3.478829      4.677928
  N      -6.123653      2.325595      4.289907
  C      -6.882856      1.454923      3.580120
  N      -8.135731      1.616584      3.211997
  C      -8.750746      2.768878      3.612660
  C     -10.113839      2.969355      3.292840
  C     -10.767093      4.094287      3.743842
  C     -10.087231      5.072426      4.514869
  C      -8.753154      4.912956      4.823562
  C      -8.058596      3.756006      4.379030
  C      -0.420147      1.908061      3.774762
  C      -0.320185      0.409558      3.901873
  C      -1.190513     -0.546582      3.516145
  C      -2.456209     -0.417775      2.793351
  N      -2.772909      0.755239      2.233489
  C      -3.961090      0.848212      1.590573
  N      -4.872564     -0.094237      1.436561
  C      -4.579957     -1.308729      1.990727
  C      -5.525455     -2.353742      1.862570
  C      -5.268118     -3.589168      2.417943
  C      -4.065012     -3.821927      3.121044
  C      -3.128614     -2.820052      3.263887
  C      -3.356290     -1.537298      2.701378
  C      -3.536931      0.192921      7.360994
  C      -4.623529      0.657018      8.287311
  C      -5.955028      0.537277      8.125523
  C      -6.636701     -0.176776      7.051249
  N      -5.983604     -1.168506      6.445216
  C      -6.662006     -1.885017      5.504238
  N      -7.917485     -1.745114      5.132662
  C      -8.599858     -0.711189      5.716391
  C      -9.936439     -0.459782      5.323338
  C     -10.618051      0.627465      5.840339
  C      -9.993206      1.492784      6.765474
  C      -8.700553      1.255895      7.184705
  C      -7.980622      0.149025      6.683529
  H      -3.889102      5.931456      6.422124
  H      -4.252589      5.215589      8.013874
  H      -5.027305      3.072032      6.764605
  H      -5.870897      5.475049      5.026008
  H      -6.375731      0.545361      3.265387
  H     -10.623499      2.193511      2.711312
  H     -11.820797      4.234628      3.509227
  H     -10.625570      5.944239      4.869512
  H      -8.232985      5.654551      5.427585
  H       0.479586      2.303530      3.265907
  H      -1.297360      2.196773      3.191227
  H       0.556141      0.058922      4.455272
  H      -0.927666     -1.561984      3.812204
  H      -4.187483      1.826224      1.151070
  H      -6.450475     -2.143365      1.323607
  H      -5.999743     -4.391619      2.322386
  H      -3.876848     -4.803732      3.557887
  H      -2.214842     -3.027583      3.817931
  H      -3.213330     -0.835001      7.617996
  H      -3.896117      0.141219      6.328830
  H      -4.276496      1.216908      9.161031
  H      -6.597545      1.005001      8.874763
  H      -6.099213     -2.693151      5.014697
  H     -10.386758     -1.129565      4.588385
  H     -11.642682      0.832269      5.523350
  H     -10.535022      2.359739      7.138334
  H      -8.225358      1.936031      7.888158
  N      -3.419288      2.241583      5.107780
  H      -4.320122      2.107352      4.567633
91
Coordinates from ORCA-job orca E -6199.969833588917
  N      -2.642671      4.311927      7.042155
  Mo     -2.143300      2.583876      6.210915
  N      -2.381224      1.078668      7.445221
  C      -1.507668      0.842757      8.598190
  C      -0.852741      2.147522      9.030233
  N      -0.442197      2.901594      7.825525
  C      -0.394697      4.366969      8.025736
  C      -1.806634      4.926483      8.073642
  C       0.792658      2.362918      7.212503
  C       0.820874      2.735943      5.737931
  N      -0.496000      2.503221      5.137956
  H      -1.768832      6.019205      7.928158
  H      -2.270279      4.757623      9.065563
  H       0.135906      4.796234      7.163727
  H       0.167656      4.631401      8.939215
  H       1.589150      2.138053      5.222683
  H       1.107956      3.794474      5.603008
  H       0.749321      1.268345      7.300172
  H       1.690785      2.723217      7.744435
  H      -2.091099      0.438604      9.442106
  H      -0.757173      0.072555      8.338310
  H      -1.584589      2.760436      9.578089
  H       0.010909      1.963681      9.695335
  C      -3.967079      4.957813      6.969646
  C      -4.991265      4.065899      6.350843
  C      -5.813487      4.415350      5.351640
  C      -6.680354      3.447237      4.658122
  N      -6.121803      2.290514      4.275244
  C      -6.886947      1.419396      3.566025
  N      -8.137462      1.588927      3.192654
  C      -8.743450      2.747834      3.587263
  C     -10.103266      2.965779      3.258844
  C     -10.747892      4.098587      3.704104
  C     -10.062795      5.063637      4.479617
  C      -8.731458      4.888414      4.796113
  C      -8.045059      3.729848      4.354435
  C      -0.447966      1.950635      3.759037
  C      -0.313023      0.454420      3.849751
  C      -1.179532     -0.507964      3.467108
  C      -2.461957     -0.385006      2.773724
  N      -2.793596      0.782230      2.213502
  C      -3.987817      0.862784      1.585450
  N      -4.891645     -0.086648      1.443638
  C      -4.586299     -1.293875      2.002625
  C      -5.528382     -2.344102      1.894556
  C      -5.260290     -3.571217      2.459223
  C      -4.047268     -3.791033      3.150265
  C      -3.114910     -2.783398      3.273839
  C      -3.355325     -1.508750      2.701793
  C      -3.534383      0.167896      7.389575
  C      -4.617594      0.648806      8.305407
  C      -5.948358      0.538639      8.138977
  C      -6.635781     -0.185891      7.070177
  N      -5.989705     -1.191407      6.471233
  C      -6.669135     -1.892695      5.527865
  N      -7.923038     -1.727368      5.147529
  C      -8.601256     -0.691762      5.729064
  C      -9.936469     -0.431584      5.334078
  C     -10.613939      0.644772      5.854492
  C      -9.983755      1.517055      6.773482
  C      -8.690960      1.279623      7.190758
  C      -7.977573      0.157361      6.696946
  H      -3.889124      5.913047      6.412741
  H      -4.270098      5.209211      8.009686
  H      -5.053085      3.063311      6.780468
  H      -5.828646      5.441631      4.981597
  H      -6.387365      0.493681      3.260835
  H     -10.615971      2.203657      2.671970
  H     -11.798947      4.258616      3.459346
  H     -10.594372      5.951745      4.824166
  H      -8.205649      5.628792      5.398498
  H       0.433273      2.373644      3.240159
  H      -1.350085      2.235752      3.198976
  H       0.581722      0.109896      4.375318
  H      -0.898700     -1.521665      3.739100
  H      -4.227735      1.836491      1.147571
  H      -6.460699     -2.143391      1.365428
  H      -5.990324     -4.377495      2.380634
  H      -3.850225     -4.766542      3.595292
  H      -2.196951     -2.979566      3.823200
  H      -3.212982     -0.848363      7.664959
  H      -3.896565      0.098162      6.364588
  H      -4.265500      1.217934      9.173662
  H      -6.585462      1.023424      8.879162
  H      -6.109109     -2.694557      5.039868
  H     -10.389900     -1.095741      4.598798
  H     -11.637922      0.850154      5.538260
  H     -10.520993      2.392283      7.142455
  H      -8.211626      1.964981      7.890626
  N      -3.429789      2.226363      5.133312
  H      -4.336876      2.090036      4.591441
91
Coordinates from ORCA-job orca E -6199.970335624459
  N      -2.655699      4.293449      7.060441
  Mo     -2.161821      2.569656      6.223237
  N      -2.378553      1.061329      7.457729
  C      -1.490343      0.823794      8.597646
  C      -0.829915      2.127906      9.022006
  N      -0.442407      2.894074      7.820230
  C      -0.403982      4.357366      8.032205
  C      -1.817571      4.904742      8.094972
  C       0.786577      2.372896      7.185790
  C       0.791523      2.754010      5.717647
  N      -0.525431      2.507363      5.133241
  H      -1.786940      6.000733      7.959570
  H      -2.273256      4.722402      9.088020
  H       0.116271      4.798509      7.172440
  H       0.162844      4.619557      8.941548
  H       1.558431      2.171038      5.189735
  H       1.060473      3.814510      5.587199
  H       0.755454      1.279317      7.264324
  H       1.686563      2.739339      7.706750
  H      -2.060701      0.418511      9.448183
  H      -0.745237      0.053623      8.327056
  H      -1.549652      2.733566      9.585805
  H       0.042248      1.942426      9.669304
  C      -3.980346      4.937791      6.995739
  C      -5.007532      4.058928      6.366199
  C      -5.806637      4.414323      5.351202
  C      -6.672653      3.456000      4.651157
  N      -6.114635      2.296170      4.282617
  C      -6.878247      1.418473      3.576472
  N      -8.127015      1.584082      3.196470
  C      -8.731068      2.750474      3.575402
  C     -10.088902      2.968016      3.240050
  C     -10.730359      4.113278      3.668063
  C     -10.044986      5.081754      4.437627
  C      -8.716349      4.903532      4.762908
  C      -8.032386      3.742802      4.333787
  C      -0.478008      1.974472      3.754454
  C      -0.316563      0.482855      3.823471
  C      -1.172634     -0.487493      3.439122
  C      -2.462612     -0.369292      2.764016
  N      -2.801657      0.794683      2.200026
  C      -3.997394      0.865539      1.577507
  N      -4.896905     -0.090845      1.442833
  C      -4.588363     -1.292435      2.013246
  C      -5.531350     -2.346815      1.922501
  C      -5.260157     -3.566900      2.501899
  C      -4.039856     -3.776634      3.188035
  C      -3.105506     -2.765236      3.293217
  C      -3.351851     -1.497038      2.707517
  C      -3.528109      0.141722      7.407812
  C      -4.615406      0.628588      8.318951
  C      -5.947679      0.526204      8.147322
  C      -6.637081     -0.197085      7.077333
  N      -5.998730     -1.213070      6.486341
  C      -6.679535     -1.901945      5.540430
  N      -7.930790     -1.729560      5.154230
  C      -8.603312     -0.692806      5.731738
  C      -9.936417     -0.428786      5.333136
  C     -10.607793      0.660983      5.845754
  C      -9.973594      1.530965      6.764008
  C      -8.682635      1.284689      7.185646
  C      -7.975203      0.157255      6.697047
  H      -3.902926      5.892787      6.453500
  H      -4.282509      5.175219      8.032454
  H      -5.091220      3.061998      6.801407
  H      -5.784228      5.441079      4.957894
  H      -6.378517      0.489958      3.280678
  H     -10.600871      2.204243      2.657847
  H     -11.779445      4.278302      3.415472
  H     -10.574381      5.979609      4.767926
  H      -8.189224      5.650404      5.358322
  H       0.391347      2.417988      3.239131
  H      -1.382408      2.248182      3.205375
  H       0.600996      0.144704      4.321562
  H      -0.867574     -1.505334      3.682569
  H      -4.241952      1.835899      1.135767
  H      -6.466275     -2.154279      1.395586
  H      -5.990531     -4.376151      2.436903
  H      -3.838805     -4.747154      3.643869
  H      -2.183267     -2.952384      3.841766
  H      -3.203484     -0.873577      7.694974
  H      -3.889474      0.061826      6.379150
  H      -4.264280      1.194396      9.188842
  H      -6.584618      1.017417      8.884188
  H      -6.124868     -2.713392      5.060674
  H     -10.392666     -1.094598      4.599355
  H     -11.629991      0.869661      5.527427
  H     -10.506239      2.406358      7.131107
  H      -8.200998      1.967147      7.885983
  N      -3.456748      2.208928      5.153528
  H      -4.369343      2.064966      4.617944
91
Coordinates from ORCA-job orca E -6199.970833482515
  N      -2.667558      4.277384      7.072421
  Mo     -2.172217      2.552988      6.236786
  N      -2.373675      1.045371      7.475608
  C      -1.474858      0.814063      8.608347
  C      -0.819419      2.122979      9.028143
  N      -0.442001      2.890669      7.824358
  C      -0.412237      4.353279      8.036357
  C      -1.829115      4.892321      8.104159
  C       0.786275      2.374203      7.182881
  C       0.780277      2.757722      5.714177
  N      -0.540984      2.498247      5.137084
  H      -1.805002      5.988610      7.968379
  H      -2.279940      4.706503      9.098391
  H       0.103329      4.798985      7.175922
  H       0.155630      4.618524      8.944215
  H       1.551942      2.180089      5.183129
  H       1.040064      3.823077      5.579743
  H       0.759998      1.279451      7.263797
  H       1.689488      2.744289      7.697752
  H      -2.036661      0.407582      9.465343
  H      -0.727172      0.047090      8.333159
  H      -1.541698      2.724586      9.595918
  H       0.056539      1.942332      9.674718
  C      -3.992100      4.922422      7.006858
  C      -5.022454      4.046368      6.376200
  C      -5.802363      4.402389      5.346882
  C      -6.677796      3.445910      4.647469
  N      -6.131864      2.277024      4.288129
  C      -6.899393      1.409693      3.576329
  N      -8.143150      1.589998      3.186914
  C      -8.737148      2.761446      3.559825
  C     -10.091402      2.992854      3.218359
  C     -10.722388      4.146746      3.639345
  C     -10.028995      5.113344      4.405396
  C      -8.703227      4.923007      4.736452
  C      -8.031121      3.747458      4.318642
  C      -0.501508      1.992479      3.749110
  C      -0.314653      0.501441      3.783721
  C      -1.159405     -0.473920      3.391611
  C      -2.460751     -0.357511      2.738492
  N      -2.809067      0.800723      2.172828
  C      -4.014466      0.865038      1.563382
  N      -4.911938     -0.094383      1.436335
  C      -4.596156     -1.288518      2.013228
  C      -5.535255     -2.345680      1.933221
  C      -5.256537     -3.558174      2.521115
  C      -4.034235     -3.756496      3.207673
  C      -3.101919     -2.743072      3.300639
  C      -3.352433     -1.483999      2.701469
  C      -3.520848      0.120551      7.435717
  C      -4.610436      0.619658      8.337214
  C      -5.943565      0.524301      8.159089
  C      -6.630462     -0.200573      7.089967
  N      -5.996046     -1.226397      6.512760
  C      -6.676918     -1.926648      5.572740
  N      -7.924746     -1.753291      5.179546
  C      -8.593552     -0.702948      5.743020
  C      -9.923406     -0.434656      5.335999
  C     -10.592454      0.660710      5.838139
  C      -9.958926      1.531105      6.753717
  C      -8.670091      1.283883      7.180705
  C      -7.964931      0.152866      6.702450
  H      -3.912303      5.877569      6.464741
  H      -4.296522      5.159823      8.043141
  H      -5.123848      3.053974      6.821510
  H      -5.749587      5.423342      4.938111
  H      -6.405663      0.482430      3.280558
  H     -10.609319      2.232163      2.637691
  H     -11.769362      4.320126      3.383773
  H     -10.550579      6.014188      4.730994
  H      -8.169921      5.666975      5.329858
  H       0.356295      2.456437      3.233671
  H      -1.410521      2.264972      3.214496
  H       0.618517      0.167464      4.256156
  H      -0.833417     -1.495520      3.603469
  H      -4.265679      1.829829      1.119979
  H      -6.472571     -2.161106      1.407655
  H      -5.982378     -4.369798      2.463774
  H      -3.828359     -4.720596      3.671687
  H      -2.176321     -2.922102      3.849395
  H      -3.193973     -0.888698      7.741955
  H      -3.881699      0.022077      6.407653
  H      -4.260622      1.184052      9.207367
  H      -6.581946      1.022988      8.889424
  H      -6.126010     -2.745959      5.105027
  H     -10.378259     -1.099170      4.603697
  H     -11.611781      0.874415      5.512642
  H     -10.489235      2.418677      7.110379
  H      -8.188621      1.973183      7.876753
  N      -3.471705      2.179517      5.174628
  H      -4.393380      2.025208      4.649905
91
Coordinates from ORCA-job orca E -6199.971315816096
  N      -2.686774      4.249886      7.091332
  Mo     -2.184640      2.526363      6.255708
  N      -2.363909      1.022726      7.501950
  C      -1.450585      0.801632      8.625479
  C      -0.804063      2.117739      9.037459
  N      -0.441645      2.885713      7.829734
  C      -0.427275      4.348258      8.042205
  C      -1.849979      4.871813      8.118426
  C       0.787334      2.379934      7.178020
  C       0.764407      2.762002      5.708068
  N      -0.559168      2.478099      5.143638
  H      -1.838604      5.967817      7.983708
  H      -2.294010      4.680190      9.114472
  H       0.079557      4.800692      7.180151
  H       0.142390      4.619537      8.947770
  H       1.543523      2.194756      5.172946
  H       1.004970      3.832892      5.566480
  H       0.774604      1.284361      7.264109
  H       1.692289      2.761037      7.682996
  H      -2.000116      0.393359      9.490764
  H      -0.697849      0.040135      8.345257
  H      -1.531176      2.713280      9.609121
  H       0.076389      1.947006      9.683003
  C      -4.014054      4.890816      7.030237
  C      -5.046552      4.020269      6.395632
  C      -5.799790      4.378001      5.347672
  C      -6.674116      3.427670      4.637357
  N      -6.134382      2.252126      4.291544
  C      -6.897696      1.391632      3.568026
  N      -8.133541      1.580796      3.160526
  C      -8.722774      2.757202      3.522486
  C     -10.071493      2.995297      3.167864
  C     -10.698088      4.153133      3.579359
  C     -10.004392      5.122336      4.344948
  C      -8.683964      4.924792      4.690076
  C      -8.018025      3.739100      4.286698
  C      -0.529827      2.010489      3.742576
  C      -0.313132      0.521881      3.729539
  C      -1.149635     -0.455186      3.326055
  C      -2.464223     -0.333562      2.696904
  N      -2.817635      0.823408      2.128443
  C      -4.030379      0.884240      1.528732
  N      -4.925761     -0.080113      1.406361
  C      -4.605550     -1.271050      1.990358
  C      -5.540142     -2.332681      1.918707
  C      -5.259474     -3.539337      2.519924
  C      -4.043135     -3.725464      3.216146
  C      -3.113362     -2.708661      3.298995
  C      -3.361361     -1.458168      2.680092
  C      -3.507947      0.092056      7.481401
  C      -4.599397      0.607942      8.374176
  C      -5.934610      0.525841      8.190788
  C      -6.624457     -0.198726      7.123830
  N      -5.999763     -1.236614      6.561881
  C      -6.684345     -1.941690      5.628411
  N      -7.929365     -1.761273      5.228526
  C      -8.589486     -0.695874      5.776614
  C      -9.917076     -0.424003      5.364450
  C     -10.579675      0.679902      5.854650
  C      -9.940786      1.559992      6.760062
  C      -8.652733      1.311505      7.189316
  C      -7.954463      0.165993      6.726384
  H      -3.936178      5.849165      6.490827
  H      -4.318319      5.123324      8.068813
  H      -5.165167      3.034741      6.848179
  H      -5.722035      5.385415      4.933076
  H      -6.408049      0.453466      3.283201
  H     -10.589656      2.232925      2.586857
  H     -11.741478      4.330008      3.315256
  H     -10.522356      6.029602      4.659934
  H      -8.150394      5.668743      5.283949
  H       0.313298      2.502175      3.226080
  H      -1.449690      2.283454      3.227402
  H       0.633653      0.193429      4.174506
  H      -0.810031     -1.478952      3.502061
  H      -4.287759      1.848695      1.084860
  H      -6.476165     -2.155370      1.389911
  H      -5.981834     -4.354092      2.469645
  H      -3.838428     -4.683574      3.694119
  H      -2.191721     -2.877523      3.855860
  H      -3.175466     -0.907537      7.814245
  H      -3.870079     -0.033631      6.457105
  H      -4.246850      1.172189      9.243516
  H      -6.571402      1.036996      8.915061
  H      -6.141541     -2.776958      5.177072
  H     -10.376079     -1.097304      4.639688
  H     -11.597731      0.891554      5.527573
  H     -10.466767      2.448510      7.110733
  H      -8.169283      2.004035      7.879726
  N      -3.491134      2.140634      5.202257
  H      -4.416310      1.974589      4.691515
91
Coordinates from ORCA-job orca E -6199.971695051833
  N      -2.702763      4.228092      7.108082
  Mo     -2.196504      2.501926      6.277579
  N      -2.355208      0.999768      7.531095
  C      -1.427751      0.783704      8.643002
  C      -0.787635      2.105736      9.047694
  N      -0.443895      2.875340      7.837101
  C      -0.439975      4.337733      8.050814
  C      -1.866596      4.850794      8.134225
  C       0.784348      2.381784      7.174101
  C       0.743169      2.762403      5.704838
  N      -0.580073      2.456253      5.153703
  H      -1.861921      5.947425      8.004077
  H      -2.306661      4.652820      9.130560
  H       0.060509      4.795556      7.187514
  H       0.132198      4.611449      8.954135
  H       1.526604      2.205596      5.164650
  H       0.964822      3.836364      5.557512
  H       0.786550      1.286569      7.263125
  H       1.689741      2.774069      7.669595
  H      -1.964154      0.371701      9.514528
  H      -0.672399      0.027658      8.356409
  H      -1.515878      2.694203      9.624073
  H       0.098343      1.945594      9.686914
  C      -4.029599      4.871414      7.043301
  C      -5.068222      4.002915      6.410997
  C      -5.794530      4.352289      5.340850
  C      -6.670729      3.398765      4.630132
  N      -6.140023      2.212487      4.307902
  C      -6.899625      1.352121      3.577757
  N      -8.124665      1.552756      3.144263
  C      -8.707592      2.739783      3.485842
  C     -10.048544      2.989667      3.108632
  C     -10.669188      4.158002      3.500549
  C      -9.976605      5.125973      4.267039
  C      -8.663428      4.917060      4.634190
  C      -8.003833      3.722185      4.251489
  C      -0.563664      2.026738      3.740672
  C      -0.316768      0.545057      3.679921
  C      -1.145093     -0.432321      3.262860
  C      -2.468648     -0.302938      2.654952
  N      -2.823043      0.853228      2.087004
  C      -4.040144      0.916295      1.496644
  N      -4.936994     -0.046558      1.379375
  C      -4.616113     -1.236041      1.966654
  C      -5.556091     -2.293853      1.909200
  C      -5.277628     -3.495873      2.520565
  C      -4.057793     -3.680855      3.213389
  C      -3.123750     -2.667289      3.283319
  C      -3.370313     -1.422546      2.653078
  C      -3.498851      0.066650      7.530135
  C      -4.589625      0.602071      8.412148
  C      -5.922368      0.535520      8.220499
  C      -6.614294     -0.197302      7.160399
  N      -5.998934     -1.250094      6.616678
  C      -6.688182     -1.966186      5.694584
  N      -7.930974     -1.781955      5.290697
  C      -8.582211     -0.703522      5.821397
  C      -9.907749     -0.428353      5.404653
  C     -10.562768      0.690867      5.876883
  C      -9.918355      1.578253      6.769643
  C      -8.631510      1.325012      7.202372
  C      -7.940340      0.170573      6.755578
  H      -3.947832      5.831427      6.499750
  H      -4.335513      5.109251      8.083597
  H      -5.207006      3.023867      6.878011
  H      -5.684899      5.348556      4.905021
  H      -6.413622      0.413278      3.304265
  H     -10.566243      2.225678      2.527748
  H     -11.707408      4.343554      3.220712
  H     -10.490282      6.041540      4.565426
  H      -8.131198      5.658480      5.229545
  H       0.260426      2.548672      3.220697
  H      -1.500298      2.295956      3.248323
  H       0.639434      0.224375      4.100974
  H      -0.798054     -1.456045      3.404691
  H      -4.300136      1.881790      1.054695
  H      -6.497188     -2.115825      1.385847
  H      -6.005630     -4.307090      2.482746
  H      -3.855516     -4.634575      3.700637
  H      -2.201070     -2.833291      3.840560
  H      -3.164875     -0.924731      7.888429
  H      -3.863458     -0.083567      6.509140
  H      -4.234829      1.170435      9.277976
  H      -6.557631      1.061665      8.934770
  H      -6.152962     -2.817728      5.261347
  H     -10.371419     -1.110850      4.690479
  H     -11.579617      0.906549      5.546008
  H     -10.439816      2.472833      7.109651
  H      -8.144539      2.021638      7.883472
  N      -3.501545      2.108916      5.229861
  H      -4.429232      1.934664      4.725616
91
Coordinates from ORCA-job orca E -6199.971969028806
  N      -2.723063      4.197567      7.124793
  Mo     -2.204202      2.474843      6.292768
  N      -2.339248      0.969983      7.547795
  C      -1.399116      0.760243      8.650913
  C      -0.768976      2.087530      9.053746
  N      -0.444893      2.861722      7.839983
  C      -0.455877      4.324273      8.060328
  C      -1.889392      4.820217      8.154097
  C       0.785321      2.386851      7.165827
  C       0.725708      2.768653      5.697480
  N      -0.596794      2.442454      5.156567
  H      -1.896234      5.917701      8.035651
  H      -2.324583      4.609487      9.150840
  H       0.035232      4.791210      7.196314
  H       0.119027      4.599566      8.962507
  H       1.513173      2.224724      5.150947
  H       0.928584      3.844733      5.548065
  H       0.807037      1.292550      7.253947
  H       1.688917      2.791945      7.654755
  H      -1.924224      0.340010      9.525296
  H      -0.636863      0.014036      8.358004
  H      -1.501042      2.665120      9.635101
  H       0.123476      1.940203      9.687080
  C      -4.053515      4.831642      7.066244
  C      -5.091040      3.969791      6.428026
  C      -5.792849      4.310740      5.339173
  C      -6.664946      3.359161      4.623939
  N      -6.142538      2.162389      4.329430
  C      -6.895564      1.302870      3.591461
  N      -8.108308      1.512494      3.129502
  C      -8.685851      2.710395      3.447587
  C     -10.017479      2.968569      3.045152
  C     -10.633506      4.146211      3.414489
  C      -9.943758      5.118567      4.178996
  C      -8.638920      4.902831      4.569459
  C      -7.985451      3.695723      4.213108
  C      -0.590076      2.050374      3.734880
  C      -0.315272      0.578292      3.629067
  C      -1.139830     -0.399021      3.201295
  C      -2.475454     -0.262292      2.616675
  N      -2.828033      0.890440      2.042524
  C      -4.049136      0.956801      1.461857
  N      -4.950389     -0.001115      1.358931
  C      -4.633194     -1.186321      1.958105
  C      -5.582381     -2.236572      1.925486
  C      -5.310746     -3.429816      2.557252
  C      -4.086354     -3.614133      3.244069
  C      -3.142448     -2.608270      3.288515
  C      -3.384850     -1.373256      2.638481
  C      -3.484300      0.037924      7.565979
  C      -4.572725      0.595352      8.435856
  C      -5.904678      0.543675      8.237446
  C      -6.604438     -0.198964      7.187169
  N      -6.003849     -1.269392      6.660392
  C      -6.703336     -1.995382      5.751298
  N      -7.944283     -1.799999      5.344626
  C      -8.580638     -0.703684      5.858065
  C      -9.904106     -0.417250      5.438696
  C     -10.546522      0.711263      5.898433
  C      -9.890372      1.602042      6.777944
  C      -8.604327      1.342373      7.209986
  C      -7.926321      0.176805      6.777461
  H      -3.978830      5.796270      6.533694
  H      -4.356753      5.057333      8.107719
  H      -5.244605      2.998354      6.901352
  H      -5.660919      5.295259      4.889200
  H      -6.415968      0.351415      3.340628
  H     -10.532732      2.201518      2.465059
  H     -11.665782      4.336174      3.118164
  H     -10.453878      6.039559      4.459689
  H      -8.109009      5.646774      5.164373
  H       0.212872      2.604874      3.217487
  H      -1.539078      2.310901      3.263028
  H       0.654261      0.265833      4.024581
  H      -0.785194     -1.422493      3.308792
  H      -4.307704      1.920470      1.013443
  H      -6.526382     -2.059099      1.406528
  H      -6.047237     -4.234415      2.539549
  H      -3.889420     -4.560612      3.747632
  H      -2.217525     -2.770756      3.843169
  H      -3.151746     -0.944045      7.949218
  H      -3.850822     -0.136088      6.549359
  H      -4.213268      1.170685      9.296206
  H      -6.536375      1.086958      8.941119
  H      -6.179229     -2.857958      5.332664
  H     -10.376580     -1.101332      4.734100
  H     -11.562306      0.936521      5.565407
  H     -10.402717      2.509920      7.106360
  H      -8.106932      2.047386      7.878190
  N      -3.516781      2.078007      5.254090
  H      -4.445412      1.897665      4.760908
91
Coordinates from ORCA-job orca E -6199.972278827224
  N      -2.736349      4.178613      7.139121
  Mo     -2.204848      2.455762      6.311862
  N      -2.323668      0.949957      7.568854
  C      -1.372965      0.747407      8.665540
  C      -0.754146      2.080618      9.067211
  N      -0.443924      2.855015      7.848240
  C      -0.465364      4.319160      8.064922
  C      -1.903043      4.803783      8.166575
  C       0.789734      2.391561      7.171682
  C       0.716413      2.766093      5.701344
  N      -0.605813      2.421423      5.168560
  H      -1.918962      5.900721      8.053845
  H      -2.331574      4.588003      9.163604
  H       0.016256      4.787450      7.195874
  H       0.113304      4.599064      8.963043
  H       1.507059      2.229803      5.152238
  H       0.905868      3.843774      5.545973
  H       0.828466      1.298073      7.266414
  H       1.690175      2.810936      7.654571
  H      -1.887758      0.317151      9.541028
  H      -0.602231      0.013108      8.366322
  H      -1.491494      2.650969      9.648286
  H       0.143212      1.945929      9.696546
  C      -4.068705      4.809517      7.082436
  C      -5.107877      3.947589      6.446060
  C      -5.792836      4.275361      5.341357
  C      -6.661329      3.318846      4.628525
  N      -6.148138      2.112205      4.366249
  C      -6.892626      1.253093      3.621280
  N      -8.090904      1.469656      3.126993
  C      -8.664130      2.675369      3.418856
  C      -9.984366      2.940315      2.984638
  C     -10.596425      4.129250      3.324354
  C      -9.912395      5.106642      4.087056
  C      -8.617821      4.883628      4.507555
  C      -7.969617      3.663779      4.184122
  C      -0.613212      2.062276      3.736719
  C      -0.324613      0.596965      3.590111
  C      -1.148848     -0.373235      3.146252
  C      -2.490666     -0.222903      2.576189
  N      -2.834219      0.932663      2.001837
  C      -4.056008      1.008796      1.425484
  N      -4.965186      0.057248      1.328741
  C      -4.658707     -1.129984      1.933523
  C      -5.617588     -2.172725      1.912520
  C      -5.357742     -3.363347      2.557344
  C      -4.134078     -3.553741      3.242882
  C      -3.177945     -2.557010      3.271798
  C      -3.410921     -1.325248      2.610149
  C      -3.469746      0.019801      7.600284
  C      -4.557135      0.592604      8.462714
  C      -5.890705      0.544731      8.263869
  C      -6.595224     -0.210748      7.226398
  N      -6.004569     -1.294420      6.719667
  C      -6.710130     -2.028102      5.824627
  N      -7.949154     -1.830479      5.415230
  C      -8.574394     -0.717971      5.905180
  C      -9.895565     -0.427026      5.481517
  C     -10.527789      0.716817      5.918978
  C      -9.862716      1.621713      6.777812
  C      -8.578433      1.359605      7.212419
  C      -7.911980      0.174504      6.805599
  H      -3.996224      5.778556      6.552571
  H      -4.369642      5.034319      8.126323
  H      -5.272415      2.978935      6.927312
  H      -5.644409      5.253490      4.872579
  H      -6.420388      0.292001      3.397568
  H     -10.493941      2.173361      2.402714
  H     -11.620420      4.326620      3.004046
  H     -10.418313      6.039399      4.341815
  H      -8.091660      5.634005      5.100601
  H       0.172710      2.642215      3.222868
  H      -1.572413      2.321524      3.282422
  H       0.656396      0.283527      3.963604
  H      -0.789722     -1.399682      3.219563
  H      -4.305177      1.974608      0.972738
  H      -6.558751     -1.992212      1.392306
  H      -6.102564     -4.161099      2.548998
  H      -3.946628     -4.497659      3.756687
  H      -2.252032     -2.721653      3.824135
  H      -3.139438     -0.956870      8.003451
  H      -3.834586     -0.172527      6.584503
  H      -4.194897      1.175951      9.316228
  H      -6.522560      1.098975      8.959555
  H      -6.194316     -2.906580      5.427150
  H     -10.375562     -1.123740      4.794023
  H     -11.542689      0.941316      5.585843
  H     -10.369484      2.534314      7.092484
  H      -8.073598      2.072730      7.864623
  N      -3.516133      2.056397      5.277226
  H      -4.450915      1.871328      4.788652
91
Coordinates from ORCA-job orca E -6199.972559482520
  N      -2.746104      4.160166      7.153301
  Mo     -2.197688      2.439898      6.329183
  N      -2.305183      0.935882      7.588025
  C      -1.342022      0.743274      8.678153
  C      -0.735120      2.082690      9.078199
  N      -0.437089      2.857984      7.854687
  C      -0.471695      4.324058      8.064338
  C      -1.912500      4.793013      8.176207
  C       0.802708      2.408074      7.181353
  C       0.716613      2.762323      5.707002
  N      -0.603532      2.393070      5.185298
  H      -1.941362      5.889808      8.067972
  H      -2.330216      4.572399      9.175293
  H      -0.004669      4.791970      7.188125
  H       0.111739      4.612649      8.955512
  H       1.510620      2.231225      5.157957
  H       0.891209      3.840628      5.539978
  H       0.863971      1.317023      7.289839
  H       1.695554      2.850396      7.656038
  H      -1.844352      0.301763      9.554036
  H      -0.562522      0.023062      8.370017
  H      -1.475565      2.647437      9.658393
  H       0.166939      1.958687      9.700905
  C      -4.083349      4.782945      7.104867
  C      -5.120321      3.921001      6.466796
  C      -5.796735      4.242419      5.353172
  C      -6.652530      3.284509      4.637459
  N      -6.143499      2.070578      4.413930
  C      -6.878490      1.193724      3.673969
  N      -8.063525      1.404618      3.146893
  C      -8.634881      2.622963      3.400918
  C      -9.943043      2.885876      2.929987
  C     -10.554777      4.087952      3.229692
  C      -9.883322      5.072177      3.990515
  C      -8.600351      4.848365      4.446618
  C      -7.950880      3.624214      4.160138
  C      -0.621106      2.053980      3.746495
  C      -0.341376      0.589911      3.572344
  C      -1.170639     -0.363835      3.106138
  C      -2.507845     -0.189517      2.535410
  N      -2.826176      0.971133      1.963610
  C      -4.049913      1.076196      1.391593
  N      -4.982501      0.148978      1.301352
  C      -4.701950     -1.042611      1.907529
  C      -5.687624     -2.059228      1.898171
  C      -5.453244     -3.250133      2.550892
  C      -4.229090     -3.468269      3.230013
  C      -3.246015     -2.498525      3.244378
  C      -3.453856     -1.267652      2.576003
  C      -3.453129      0.012183      7.636332
  C      -4.540964      0.604781      8.480822
  C      -5.873809      0.554473      8.278257
  C      -6.579342     -0.221879      7.258606
  N      -5.995663     -1.324159      6.781401
  C      -6.705685     -2.072700      5.904428
  N      -7.941944     -1.875154      5.488010
  C      -8.558031     -0.745377      5.945638
  C      -9.875897     -0.456672      5.514534
  C     -10.499244      0.706040      5.920366
  C      -9.827968      1.628962      6.755426
  C      -8.547373      1.366096      7.198326
  C      -7.890918      0.164789      6.823621
  H      -4.016434      5.758190      6.584115
  H      -4.380986      5.000748      8.151434
  H      -5.287852      2.949908      6.945720
  H      -5.655513      5.217224      4.882164
  H      -6.412296      0.222081      3.488181
  H     -10.443764      2.111276      2.350283
  H     -11.569430      4.287810      2.880252
  H     -10.388449      6.015426      4.213528
  H      -8.084373      5.604603      5.038614
  H       0.158303      2.645988      3.240454
  H      -1.581106      2.321120      3.300560
  H       0.633459      0.263293      3.944261
  H      -0.824076     -1.396069      3.159358
  H      -4.276271      2.044543      0.936443
  H      -6.628267     -1.859512      1.381060
  H      -6.219250     -4.026835      2.551903
  H      -4.063256     -4.411618      3.750381
  H      -2.318078     -2.681058      3.789463
  H      -3.128142     -0.951389      8.065031
  H      -3.811290     -0.206166      6.626166
  H      -4.179445      1.207029      9.321544
  H      -6.507146      1.124665      8.958197
  H      -6.196151     -2.966291      5.532753
  H     -10.361698     -1.170964      4.848500
  H     -11.512472      0.927552      5.584188
  H     -10.330448      2.549261      7.049531
  H      -8.036785      2.088844      7.831733
  N      -3.509057      2.034595      5.294554
  H      -4.448327      1.847069      4.816732
91
Coordinates from ORCA-job orca E -6199.972831420125
  N      -2.745812      4.156134      7.154775
  Mo     -2.185272      2.439748      6.331865
  N      -2.297867      0.934716      7.587546
  C      -1.331347      0.741663      8.675265
  C      -0.728517      2.081820      9.078759
  N      -0.430709      2.862829      7.855971
  C      -0.470472      4.329005      8.064831
  C      -1.912274      4.791595      8.179379
  C       0.813983      2.420438      7.187518
  C       0.727529      2.762018      5.709768
  N      -0.590668      2.386270      5.192568
  H      -1.946196      5.890143      8.073830
  H      -2.327453      4.565604      9.180631
  H      -0.009716      4.797119      7.184865
  H       0.114352      4.620868      8.953682
  H       1.520529      2.229525      5.161052
  H       0.899972      3.839668      5.538113
  H       0.885313      1.330617      7.302602
  H       1.700899      2.875007      7.659974
  H      -1.828893      0.291020      9.548314
  H      -0.548954      0.028658      8.358606
  H      -1.467661      2.645964      9.659781
  H       0.175807      1.955704      9.696348
  C      -4.086160      4.774906      7.110350
  C      -5.114487      3.907498      6.469848
  C      -5.796588      4.226180      5.358801
  C      -6.644907      3.261463      4.647091
  N      -6.134404      2.044159      4.446493
  C      -6.861622      1.156791      3.713323
  N      -8.040178      1.359806      3.170470
  C      -8.614170      2.581210      3.401398
  C      -9.915509      2.835820      2.909434
  C     -10.531646      4.041077      3.183448
  C      -9.870241      5.038390      3.937052
  C      -8.593036      4.822656      4.412067
  C      -7.939974      3.593661      4.153186
  C      -0.610471      2.050700      3.752158
  C      -0.346712      0.582705      3.578815
  C      -1.187204     -0.357838      3.105876
  C      -2.521372     -0.165984      2.529326
  N      -2.820018      1.004496      1.960610
  C      -4.040442      1.128137      1.384615
  N      -4.985915      0.212104      1.291827
  C      -4.722991     -0.988677      1.892779
  C      -5.721733     -1.993713      1.878760
  C      -5.506116     -3.190879      2.531015
  C      -4.290329     -3.427802      3.213148
  C      -3.294098     -2.471090      3.229181
  C      -3.482245     -1.233678      2.562842
  C      -3.449503      0.017230      7.633701
  C      -4.535704      0.610407      8.485829
  C      -5.870017      0.556384      8.291962
  C      -6.579316     -0.225339      7.279952
  N      -6.000970     -1.340000      6.818135
  C      -6.717049     -2.099122      5.952270
  N      -7.951619     -1.897836      5.531452
  C      -8.560562     -0.759099      5.972005
  C      -9.875529     -0.467517      5.534522
  C     -10.491747      0.700641      5.925241
  C      -9.814753      1.630934      6.748612
  C      -8.537478      1.366105      7.198458
  C      -7.889452      0.157753      6.840915
  H      -4.023764      5.753098      6.595113
  H      -4.383956      4.987218      8.157272
  H      -5.277132      2.932327      6.943096
  H      -5.675017      5.208407      4.891111
  H      -6.396610      0.182503      3.553258
  H     -10.408790      2.052232      2.334405
  H     -11.541137      4.234821      2.817331
  H     -10.377307      5.986595      4.138901
  H      -8.085607      5.588299      4.999505
  H       0.171736      2.644148      3.246620
  H      -1.571324      2.325109      3.307653
  H       0.620746      0.240326      3.958821
  H      -0.854100     -1.394939      3.162262
  H      -4.251465      2.103513      0.931581
  H      -6.657356     -1.780723      1.359159
  H      -6.283359     -3.957489      2.529654
  H      -4.141351     -4.375145      3.734345
  H      -2.371146     -2.665804      3.773765
  H      -3.128241     -0.955360      8.056530
  H      -3.805603     -0.193595      6.618000
  H      -4.171979      1.217492      9.321683
  H      -6.502625      1.128552      8.973679
  H      -6.213104     -2.999485      5.591765
  H     -10.365377     -1.184150      4.876924
  H     -11.503056      0.927642      5.583431
  H     -10.310831      2.567075      7.024672
  H      -8.019599      2.100764      7.817708
  N      -3.495600      2.033783      5.295651
  H      -4.443219      1.845968      4.824663
91
Coordinates from ORCA-job orca E -6199.973112217186
  N      -2.746331      4.147374      7.150459
  Mo     -2.175448      2.436246      6.327927
  N      -2.292722      0.927569      7.579011
  C      -1.328253      0.735563      8.668037
  C      -0.729269      2.075799      9.075665
  N      -0.428287      2.860651      7.853865
  C      -0.470689      4.326222      8.062416
  C      -1.913574      4.787108      8.174970
  C       0.820528      2.419687      7.190842
  C       0.742026      2.759167      5.710486
  N      -0.578722      2.396651      5.190992
  H      -1.950508      5.885713      8.065239
  H      -2.328988      4.560437      9.178493
  H      -0.012279      4.793071      7.179121
  H       0.114177      4.621771      8.951186
  H       1.530556      2.217718      5.162326
  H       0.926579      3.835744      5.538999
  H       0.890008      1.329428      7.305973
  H       1.705743      2.875195      7.666588
  H      -1.826386      0.280268      9.537968
  H      -0.543293      0.025766      8.347733
  H      -1.467499      2.641484      9.659079
  H       0.177882      1.945198      9.690548
  C      -4.086937      4.765247      7.102990
  C      -5.102086      3.890941      6.457943
  C      -5.791185      4.207749      5.351773
  C      -6.643341      3.239162      4.648346
  N      -6.138855      2.015947      4.464444
  C      -6.868335      1.126117      3.742961
  N      -8.043972      1.329312      3.194082
  C      -8.611611      2.555631      3.405371
  C      -9.908171      2.810088      2.901743
  C     -10.520724      4.018876      3.156582
  C      -9.857614      5.027620      3.897400
  C      -8.582829      4.815732      4.379759
  C      -7.936239      3.574459      4.145808
  C      -0.592923      2.061601      3.751604
  C      -0.342650      0.590924      3.585512
  C      -1.192204     -0.340891      3.109393
  C      -2.526206     -0.140867      2.531066
  N      -2.815731      1.031749      1.962632
  C      -4.037119      1.165873      1.390528
  N      -4.991555      0.261924      1.303965
  C      -4.736519     -0.939828      1.901247
  C      -5.748352     -1.930138      1.895919
  C      -5.542907     -3.127051      2.548318
  C      -4.323291     -3.381422      3.217652
  C      -3.315690     -2.439410      3.224668
  C      -3.495066     -1.199165      2.562955
  C      -3.449793      0.018347      7.625727
  C      -4.532228      0.612052      8.482907
  C      -5.868136      0.548604      8.300738
  C      -6.582297     -0.243837      7.298602
  N      -6.004882     -1.359666      6.846300
  C      -6.725196     -2.127902      5.989276
  N      -7.958399     -1.931162      5.565454
  C      -8.562600     -0.782957      5.988966
  C      -9.872969     -0.485154      5.540046
  C     -10.481447      0.696186      5.911213
  C      -9.801408      1.630132      6.727905
  C      -8.529616      1.360757      7.190273
  C      -7.889793      0.140688      6.852241
  H      -4.026584      5.741499      6.590377
  H      -4.389206      4.973256      8.146755
  H      -5.263471      2.916510      6.929695
  H      -5.687979      5.199191      4.891361
  H      -6.411510      0.142559      3.610061
  H     -10.402763      2.020550      2.335398
  H     -11.527566      4.207993      2.782998
  H     -10.361351      5.974631      4.087527
  H      -8.074902      5.589659      4.958494
  H       0.193386      2.652969      3.249547
  H      -1.550075      2.339458      3.305060
  H       0.617886      0.234442      3.974902
  H      -0.866688     -1.380240      3.174097
  H      -4.241483      2.141251      0.939614
  H      -6.686875     -1.705563      1.385064
  H      -6.331053     -3.881418      2.555419
  H      -4.181683     -4.329725      3.737311
  H      -2.389422     -2.646188      3.758676
  H      -3.133690     -0.959140      8.038064
  H      -3.807544     -0.182364      6.609967
  H      -4.165069      1.228856      9.310616
  H      -6.496822      1.125534      8.981546
  H      -6.225321     -3.035242      5.637816
  H     -10.366650     -1.208535      4.890543
  H     -11.489681      0.926265      5.562628
  H     -10.291611      2.565591      6.992733
  H      -8.008897      2.096366      7.803613
  N      -3.488732      2.029502      5.295071
  H      -4.444888      1.844190      4.834376
91
Coordinates from ORCA-job orca E -6199.973414032695
  N      -2.748798      4.138234      7.154840
  Mo     -2.179555      2.426984      6.336243
  N      -2.292124      0.921468      7.591375
  C      -1.326637      0.735377      8.679776
  C      -0.728853      2.078124      9.079716
  N      -0.429824      2.857760      7.854990
  C      -0.472371      4.323345      8.054650
  C      -1.913452      4.787027      8.168071
  C       0.816899      2.409083      7.192447
  C       0.740913      2.748685      5.712004
  N      -0.585168      2.399730      5.193067
  H      -1.952590      5.882894      8.045000
  H      -2.323624      4.569970      9.173006
  H      -0.018099      4.784453      7.166332
  H       0.115280      4.626390      8.938291
  H       1.524058      2.198199      5.164414
  H       0.937064      3.824644      5.538962
  H       0.878271      1.317754      7.309611
  H       1.705608      2.860969      7.665916
  H      -1.822978      0.284832      9.553550
  H      -0.542117      0.023084      8.361113
  H      -1.464763      2.648029      9.664949
  H       0.180675      1.946522      9.692847
  C      -4.085957      4.764723      7.102385
  C      -5.101817      3.889020      6.457134
  C      -5.784845      4.210219      5.348019
  C      -6.637892      3.246966      4.642529
  N      -6.138881      2.018011      4.477465
  C      -6.873314      1.117311      3.773128
  N      -8.046349      1.317502      3.217687
  C      -8.604636      2.553820      3.401974
  C      -9.896733      2.807889      2.887021
  C     -10.501890      4.027184      3.117173
  C      -9.837483      5.040548      3.849211
  C      -8.567361      4.826529      4.343694
  C      -7.926507      3.581688      4.129685
  C      -0.598609      2.072542      3.751228
  C      -0.356403      0.601523      3.580709
  C      -1.207126     -0.323485      3.095500
  C      -2.536076     -0.117336      2.513851
  N      -2.822582      1.058111      1.946318
  C      -4.044736      1.195493      1.376922
  N      -5.003244      0.294140      1.291060
  C      -4.751796     -0.908479      1.886908
  C      -5.769793     -1.893827      1.885923
  C      -5.570208     -3.090392      2.539943
  C      -4.347894     -3.352118      3.202868
  C      -3.333834     -2.415972      3.204249
  C      -3.508343     -1.173272      2.544299
  C      -3.450398      0.013278      7.646493
  C      -4.530976      0.609890      8.503264
  C      -5.865826      0.538935      8.327383
  C      -6.577249     -0.265656      7.332258
  N      -5.996965     -1.386508      6.897071
  C      -6.713242     -2.164995      6.046294
  N      -7.943764     -1.972978      5.612850
  C      -8.549611     -0.816422      6.016418
  C      -9.855442     -0.521779      5.553345
  C     -10.463789      0.662689      5.905401
  C      -9.787461      1.605756      6.714295
  C      -8.520562      1.340005      7.191336
  C      -7.881818      0.114925      6.874538
  H      -4.017122      5.736263      6.582112
  H      -4.391831      4.980469      8.144971
  H      -5.273226      2.919706      6.933979
  H      -5.682572      5.202145      4.895853
  H      -6.421763      0.129712      3.662408
  H     -10.393300      2.012287      2.330550
  H     -11.504382      4.217770      2.732167
  H     -10.335691      5.993560      4.021722
  H      -8.058686      5.605205      4.914414
  H       0.191973      2.658571      3.254490
  H      -1.551299      2.357976      3.303995
  H       0.601025      0.234280      3.971281
  H      -0.882923     -1.364738      3.158287
  H      -4.246751      2.172606      0.929295
  H      -6.708024     -1.664549      1.379124
  H      -6.363081     -3.839922      2.552136
  H      -4.208525     -4.301808      3.721029
  H      -2.404767     -2.628927      3.733494
  H      -3.135031     -0.963801      8.057335
  H      -3.812337     -0.186600      6.632570
  H      -4.164121      1.234423      9.324506
  H      -6.493906      1.120096      9.005374
  H      -6.212923     -3.078851      5.708816
  H     -10.346185     -1.250328      4.908706
  H     -11.467872      0.891170      5.545276
  H     -10.274259      2.553720      6.956891
  H      -8.001565      2.084463      7.796767
  N      -3.492656      2.016756      5.305551
  H      -4.450473      1.831267      4.849461
91
Coordinates from ORCA-job orca E -6199.973664029390
  N      -2.757843      4.104637      7.168588
  Mo     -2.178723      2.395288      6.354407
  N      -2.276804      0.896251      7.619594
  C      -1.299010      0.726019      8.697029
  C      -0.710071      2.075081      9.084921
  N      -0.423301      2.851446      7.857198
  C      -0.477770      4.315485      8.052951
  C      -1.922325      4.766620      8.172934
  C       0.823912      2.408400      7.190828
  C       0.738982      2.739869      5.710404
  N      -0.588981      2.384361      5.201301
  H      -1.971748      5.861121      8.041096
  H      -2.324229      4.551231      9.181016
  H      -0.032787      4.778609      7.160817
  H       0.112946      4.628339      8.931225
  H       1.521067      2.187805      5.163215
  H       0.930267      3.815088      5.528340
  H       0.893797      1.318906      7.315302
  H       1.711435      2.871304      7.656687
  H      -1.781962      0.278063      9.580530
  H      -0.511241      0.017710      8.376305
  H      -1.445682      2.641490      9.674720
  H       0.203696      1.951069      9.694966
  C      -4.094559      4.732661      7.108760
  C      -5.106452      3.855688      6.455968
  C      -5.769955      4.178621      5.334776
  C      -6.619917      3.214579      4.624666
  N      -6.133552      1.976030      4.502149
  C      -6.868146      1.060749      3.815194
  N      -8.026390      1.259381      3.228812
  C      -8.566868      2.510173      3.358305
  C      -9.841239      2.769699      2.802538
  C     -10.432226      4.004667      2.980525
  C      -9.771257      5.027296      3.701303
  C      -8.517814      4.807495      4.235622
  C      -7.890756      3.549514      4.072911
  C      -0.616558      2.093567      3.751687
  C      -0.384326      0.626690      3.544708
  C      -1.248161     -0.277836      3.044376
  C      -2.578020     -0.040451      2.480245
  N      -2.846233      1.140042      1.913461
  C      -4.076619      1.303775      1.364798
  N      -5.058392      0.424031      1.294544
  C      -4.826207     -0.780800      1.892325
  C      -5.866608     -1.742418      1.913094
  C      -5.686985     -2.937339      2.575624
  C      -4.462778     -3.222371      3.224192
  C      -3.425789     -2.312017      3.201265
  C      -3.577137     -1.071442      2.531682
  C      -3.434157     -0.012540      7.697230
  C      -4.512975      0.599407      8.544920
  C      -5.847266      0.520932      8.374539
  C      -6.553686     -0.306504      7.394637
  N      -5.976044     -1.447556      7.002546
  C      -6.688144     -2.249256      6.170167
  N      -7.912050     -2.058653      5.714523
  C      -8.514873     -0.885500      6.075360
  C      -9.811951     -0.597463      5.586815
  C     -10.414619      0.605680      5.892537
  C      -9.741825      1.566037      6.682514
  C      -8.484383      1.302598      7.187251
  C      -7.851027      0.066830      6.913997
  H      -4.020829      5.702319      6.584915
  H      -4.408267      4.948624      8.149943
  H      -5.297091      2.893540      6.939598
  H      -5.655647      5.169709      4.885844
  H      -6.428721      0.063418      3.750643
  H     -10.335609      1.966990      2.256296
  H     -11.420248      4.201087      2.560982
  H     -10.256978      5.997788      3.828689
  H      -8.012254      5.595640      4.795182
  H       0.173516      2.681951      3.259834
  H      -1.571365      2.396545      3.319467
  H       0.568557      0.240484      3.922844
  H      -0.937566     -1.323849      3.084686
  H      -4.262078      2.284079      0.918003
  H      -6.805581     -1.493933      1.419615
  H      -6.496605     -3.666603      2.607761
  H      -4.338566     -4.170899      3.748201
  H      -2.494690     -2.542846      3.719987
  H      -3.117323     -0.982605      8.121441
  H      -3.803692     -0.226617      6.687962
  H      -4.146042      1.238664      9.353822
  H      -6.476302      1.114077      9.041892
  H      -6.189942     -3.170731      5.864717
  H     -10.300427     -1.340916      4.957361
  H     -11.411212      0.831978      5.511126
  H     -10.221937      2.525450      6.888236
  H      -7.967530      2.058509      7.777743
  N      -3.495559      1.976563      5.330734
  H      -4.463564      1.785350      4.899100
91
Coordinates from ORCA-job orca E -6199.973911281288
  N      -2.754779      4.103245      7.170744
  Mo     -2.182452      2.391830      6.357140
  N      -2.278443      0.899645      7.632630
  C      -1.294625      0.736783      8.705502
  C      -0.703228      2.088749      9.081420
  N      -0.418301      2.859791      7.851829
  C      -0.470219      4.322355      8.045246
  C      -1.913877      4.773077      8.168589
  C       0.824257      2.412100      7.182878
  C       0.735993      2.737623      5.704066
  N      -0.592279      2.383272      5.198324
  H      -1.961345      5.868213      8.027883
  H      -2.313039      4.562725      9.179888
  H      -0.025341      4.785694      7.153372
  H       0.123387      4.637559      8.920590
  H       1.514432      2.180092      5.161123
  H       0.928533      3.808874      5.514739
  H       0.892468      1.324590      7.313295
  H       1.712755      2.878282      7.643373
  H      -1.771667      0.297701      9.598273
  H      -0.509895      0.023995      8.389312
  H      -1.436269      2.655309      9.671654
  H       0.208539      1.967052      9.694328
  C      -4.088042      4.735883      7.111961
  C      -5.108079      3.867062      6.457302
  C      -5.776627      4.205705      5.343318
  C      -6.637951      3.249014      4.633953
  N      -6.171211      1.999611      4.533561
  C      -6.919992      1.086204      3.864483
  N      -8.071547      1.294476      3.267522
  C      -8.585326      2.558915      3.360651
  C      -9.849203      2.834149      2.786874
  C     -10.417059      4.082807      2.935546
  C      -9.743084      5.106404      3.643706
  C      -8.499380      4.872686      4.194949
  C      -7.895567      3.598272      4.063002
  C      -0.617786      2.089599      3.750063
  C      -0.399100      0.618570      3.551540
  C      -1.267641     -0.282069      3.050806
  C      -2.590795     -0.034467      2.476625
  N      -2.850691      1.144714      1.903848
  C      -4.077844      1.313484      1.349415
  N      -5.064241      0.438835      1.274313
  C      -4.838617     -0.766746      1.873621
  C      -5.884397     -1.721942      1.892473
  C      -5.716094     -2.915052      2.560794
  C      -4.495164     -3.205877      3.214446
  C      -3.453045     -2.302203      3.193641
  C      -3.594320     -1.060884      2.522666
  C      -3.432243     -0.016065      7.720471
  C      -4.513323      0.597764      8.559221
  C      -5.846558      0.495259      8.397046
  C      -6.539970     -0.358122      7.428969
  N      -5.951303     -1.502448      7.062871
  C      -6.648512     -2.318426      6.236684
  N      -7.869239     -2.141160      5.765553
  C      -8.484205     -0.970624      6.103511
  C      -9.775779     -0.697430      5.593644
  C     -10.386744      0.506698      5.869359
  C      -9.727045      1.488249      6.645104
  C      -8.475110      1.240373      7.170843
  C      -7.834850     -0.001284      6.931589
  H      -4.006413      5.702095      6.584596
  H      -4.401729      4.953629      8.152360
  H      -5.304458      2.907071      6.940936
  H      -5.653160      5.201279      4.907482
  H      -6.496128      0.082274      3.823343
  H     -10.355802      2.028021      2.253847
  H     -11.396888      4.288737      2.502240
  H     -10.210903      6.088418      3.746655
  H      -7.985250      5.661052      4.743994
  H       0.186389      2.660390      3.256432
  H      -1.565657      2.406500      3.311299
  H       0.539863      0.224699      3.944807
  H      -0.972827     -1.330291      3.109595
  H      -4.256154      2.294376      0.899786
  H      -6.824119     -1.463220      1.401001
  H      -6.533239     -3.635870      2.599049
  H      -4.378125     -4.153248      3.741122
  H      -2.527531     -2.538937      3.719243
  H      -3.112896     -0.979317      8.149892
  H      -3.805869     -0.238083      6.715665
  H      -4.151160      1.256232      9.355187
  H      -6.481711      1.088737      9.057296
  H      -6.142112     -3.248203      5.955307
  H     -10.253158     -1.451726      4.970424
  H     -11.378059      0.721988      5.469270
  H     -10.209330      2.452596      6.820877
  H      -7.966982      2.012818      7.750209
  N      -3.499960      1.969663      5.333388
  H      -4.469418      1.781785      4.914129
91
Coordinates from ORCA-job orca E -6199.974176331067
  N      -2.752501      4.101084      7.172850
  Mo     -2.177315      2.388755      6.361157
  N      -2.269921      0.898569      7.639870
  C      -1.286427      0.741404      8.714100
  C      -0.699194      2.095674      9.087348
  N      -0.414854      2.860209      7.853258
  C      -0.465899      4.324454      8.041239
  C      -1.910617      4.774452      8.166674
  C       0.827876      2.408964      7.185839
  C       0.740278      2.730195      5.705497
  N      -0.590163      2.382423      5.200725
  H      -1.959156      5.868121      8.023590
  H      -2.308370      4.568575      9.178719
  H      -0.021954      4.785090      7.147613
  H       0.129517      4.640975      8.915069
  H       1.516153      2.164229      5.165207
  H       0.940119      3.799828      5.510558
  H       0.896285      1.321632      7.320436
  H       1.716104      2.874884      7.646428
  H      -1.762473      0.302754      9.607251
  H      -0.498076      0.031479      8.402308
  H      -1.437269      2.661012      9.672110
  H       0.210633      1.982433      9.703657
  C      -4.086565      4.730224      7.113547
  C      -5.107452      3.863130      6.457085
  C      -5.776247      4.200257      5.342424
  C      -6.631910      3.239074      4.633888
  N      -6.170093      1.987492      4.554686
  C      -6.918703      1.068153      3.892482
  N      -8.062313      1.272741      3.279151
  C      -8.566756      2.541654      3.344291
  C      -9.818628      2.819623      2.744664
  C     -10.376837      4.079448      2.861650
  C      -9.707244      5.105693      3.567653
  C      -8.475476      4.868459      4.144060
  C      -7.878722      3.588320      4.039687
  C      -0.626573      2.093296      3.752174
  C      -0.420295      0.621923      3.548189
  C      -1.298106     -0.269532      3.045898
  C      -2.621057     -0.004295      2.476310
  N      -2.866348      1.179312      1.908077
  C      -4.089528      1.365579      1.355518
  N      -5.086492      0.504414      1.281040
  C      -4.875451     -0.707078      1.875487
  C      -5.933663     -1.648220      1.895974
  C      -5.780090     -2.845644      2.561431
  C      -4.561116     -3.154746      3.209324
  C      -3.508158     -2.264193      3.187592
  C      -3.636287     -1.018591      2.521830
  C      -3.421012     -0.019346      7.730886
  C      -4.502993      0.592227      8.573689
  C      -5.837086      0.478012      8.419245
  C      -6.527255     -0.387715      7.459330
  N      -5.934724     -1.528637      7.103157
  C      -6.629704     -2.359928      6.287380
  N      -7.850088     -2.195421      5.814552
  C      -8.466360     -1.018370      6.135092
  C      -9.755295     -0.748681      5.614480
  C     -10.366086      0.459732      5.870720
  C      -9.709857      1.450184      6.636881
  C      -8.461466      1.207390      7.173421
  C      -7.820542     -0.037541      6.953090
  H      -4.006524      5.697629      6.587421
  H      -4.399147      4.946368      8.154271
  H      -5.303150      2.902399      6.939933
  H      -5.654111      5.196543      4.907042
  H      -6.503009      0.059535      3.872484
  H     -10.322153      2.011111      2.214237
  H     -11.347102      4.288778      2.407917
  H     -10.170147      6.088712      3.651357
  H      -7.964938      5.659866      4.690751
  H       0.180089      2.660311      3.255983
  H      -1.575358      2.418210      3.317874
  H       0.523351      0.219822      3.933739
  H      -1.010914     -1.321541      3.095962
  H      -4.255203      2.350473      0.907747
  H      -6.871779     -1.373757      1.409817
  H      -6.607882     -3.554461      2.603835
  H      -4.455209     -4.105090      3.733418
  H      -2.584409     -2.515345      3.708652
  H      -3.097435     -0.982922      8.159564
  H      -3.795630     -0.242728      6.727023
  H      -4.140513      1.259985      9.362548
  H      -6.475523      1.068772      9.078630
  H      -6.121360     -3.294120      6.019903
  H     -10.231016     -1.512782      4.999841
  H     -11.354908      0.671552      5.461202
  H     -10.192017      2.417022      6.796021
  H      -7.955977      1.984767      7.746157
  N      -3.495855      1.970394      5.338117
  H      -4.468237      1.786858      4.922583
91
Coordinates from ORCA-job orca E -6199.974327830104
  N      -2.748709      4.102099      7.178402
  Mo     -2.175469      2.384244      6.374096
  N      -2.256852      0.899919      7.660488
  C      -1.276573      0.753879      8.740653
  C      -0.692091      2.112279      9.103467
  N      -0.411005      2.861649      7.858748
  C      -0.457398      4.330099      8.031583
  C      -1.902242      4.783575      8.160283
  C       0.827536      2.399821      7.189741
  C       0.738944      2.716620      5.707238
  N      -0.597666      2.387668      5.205643
  H      -1.951048      5.873969      8.008406
  H      -2.296074      4.591693      9.174669
  H      -0.015535      4.781354      7.132860
  H       0.142090      4.650518      8.901253
  H       1.505689      2.134672      5.167926
  H       0.956232      3.782820      5.505832
  H       0.890547      1.311871      7.327785
  H       1.719160      2.858762      7.649476
  H      -1.754335      0.321279      9.634781
  H      -0.484386      0.044478      8.439708
  H      -1.436315      2.679583      9.678113
  H       0.215448      2.013723      9.722918
  C      -4.082127      4.730607      7.116851
  C      -5.109016      3.867136      6.462993
  C      -5.776189      4.199740      5.345631
  C      -6.626408      3.234398      4.642324
  N      -6.182136      1.971791      4.605390
  C      -6.934106      1.052724      3.952444
  N      -8.060979      1.263737      3.308877
  C      -8.542656      2.541352      3.324670
  C      -9.775360      2.823056      2.688786
  C     -10.314907      4.088579      2.762454
  C      -9.640953      5.127238      3.451508
  C      -8.427164      4.887007      4.061624
  C      -7.852394      3.592003      4.008132
  C      -0.651256      2.102064      3.756779
  C      -0.469052      0.628856      3.545696
  C      -1.355599     -0.251064      3.038949
  C      -2.674403      0.033525      2.470349
  N      -2.899848      1.222566      1.907791
  C      -4.119245      1.434327      1.359643
  N      -5.131580      0.592552      1.287949
  C      -4.941000     -0.626651      1.876347
  C      -6.014948     -1.549398      1.896152
  C      -5.881718     -2.752361      2.557869
  C      -4.666480     -3.085106      3.200760
  C      -3.597850     -2.212723      3.178256
  C      -3.707118     -0.962914      2.517643
  C      -3.400646     -0.025193      7.752495
  C      -4.486492      0.579917      8.600148
  C      -5.817183      0.448064      8.449782
  C      -6.495751     -0.440347      7.502124
  N      -5.896237     -1.588252      7.174356
  C      -6.581381     -2.441625      6.371314
  N      -7.797953     -2.291362      5.884869
  C      -8.420309     -1.106490      6.173712
  C      -9.704046     -0.851882      5.633973
  C     -10.316749      0.365763      5.851069
  C      -9.670854      1.373744      6.601896
  C      -8.430416      1.143366      7.161037
  C      -7.785218     -0.103459      6.974644
  H      -4.000935      5.697818      6.588043
  H      -4.391458      4.951550      8.158014
  H      -5.307256      2.907682      6.948970
  H      -5.647207      5.194355      4.902712
  H      -6.537857      0.035533      3.965190
  H     -10.279985      2.012158      2.166339
  H     -11.270529      4.300992      2.281260
  H     -10.086211      6.124221      3.493434
  H      -7.911172      5.691648      4.593042
  H       0.161998      2.659208      3.261423
  H      -1.594743      2.442203      3.325130
  H       0.474238      0.216883      3.926900
  H      -1.079668     -1.307333      3.079092
  H      -4.268148      2.423771      0.913695
  H      -6.946556     -1.256130      1.412250
  H      -6.721310     -3.446601      2.602355
  H      -4.575810     -4.039531      3.721421
  H      -2.675874     -2.484188      3.693044
  H      -3.068916     -0.990705      8.179280
  H      -3.773405     -0.249795      6.746731
  H      -4.128911      1.262532      9.378305
  H      -6.463633      1.035531      9.102601
  H      -6.064814     -3.367491      6.122395
  H     -10.172930     -1.635436      5.034662
  H     -11.300265      0.565251      5.423884
  H     -10.155641      2.339245      6.732409
  H      -7.932735      1.930496      7.724454
  N      -3.501463      1.970983      5.357241
  H      -4.476895      1.795242      4.945930
91
Coordinates from ORCA-job orca E -6199.974514555904
  N      -2.746372      4.100889      7.175368
  Mo     -2.173803      2.380836      6.373061
  N      -2.254851      0.901106      7.663796
  C      -1.278900      0.760164      8.748397
  C      -0.692059      2.118760      9.105801
  N      -0.409069      2.864294      7.859390
  C      -0.455384      4.333428      8.029923
  C      -1.900937      4.785754      8.156133
  C       0.828629      2.401864      7.188659
  C       0.740044      2.718037      5.705760
  N      -0.595132      2.388891      5.205687
  H      -1.950195      5.876283      8.001332
  H      -2.296177      4.597229      9.172269
  H      -0.011237      4.783203      7.131484
  H       0.142161      4.654483      8.901446
  H       1.505953      2.137012      5.165103
  H       0.956614      3.783590      5.505313
  H       0.890911      1.313885      7.325000
  H       1.721200      2.858332      7.649516
  H      -1.761970      0.334592      9.643231
  H      -0.487556      0.046277      8.454283
  H      -1.437318      2.689168      9.676664
  H       0.214290      2.022256      9.727463
  C      -4.080199      4.729276      7.110474
  C      -5.106769      3.868846      6.455591
  C      -5.773752      4.202636      5.338481
  C      -6.626314      3.237720      4.635191
  N      -6.185195      1.975568      4.591959
  C      -6.942799      1.059094      3.938376
  N      -8.071783      1.273822      3.299652
  C      -8.546619      2.553334      3.317026
  C      -9.776940      2.843237      2.679680
  C     -10.306791      4.116263      2.749582
  C      -9.628973      5.147857      3.442925
  C      -8.418964      4.897709      4.056822
  C      -7.850765      3.600231      4.001659
  C      -0.649623      2.102354      3.756442
  C      -0.469669      0.627836      3.542683
  C      -1.360383     -0.251509      3.041839
  C      -2.684530      0.034169      2.479824
  N      -2.909404      1.223689      1.918599
  C      -4.130962      1.437652      1.372984
  N      -5.143926      0.595906      1.300538
  C      -4.954091     -0.623565      1.888009
  C      -6.023608     -1.550635      1.898867
  C      -5.888680     -2.755584      2.556489
  C      -4.677699     -3.084436      3.206709
  C      -3.611098     -2.209183      3.190449
  C      -3.719575     -0.960485      2.529131
  C      -3.393879     -0.027699      7.756925
  C      -4.481357      0.575790      8.603310
  C      -5.813036      0.438494      8.453753
  C      -6.490285     -0.451903      7.506064
  N      -5.887475     -1.595474      7.175523
  C      -6.569383     -2.445746      6.367659
  N      -7.786178     -2.299182      5.880277
  C      -8.413118     -1.122490      6.174950
  C      -9.697555     -0.873054      5.635035
  C     -10.313673      0.342688      5.853092
  C      -9.671861      1.349899      6.609068
  C      -8.431933      1.120796      7.171166
  C      -7.782115     -0.122338      6.981023
  H      -3.999577      5.697310      6.583039
  H      -4.390786      4.949072      8.150773
  H      -5.305931      2.908658      6.940307
  H      -5.640823      5.195568      4.894061
  H      -6.550228      0.039974      3.943100
  H     -10.286887      2.033627      2.157155
  H     -11.260357      4.335769      2.266925
  H     -10.069886      6.145042      3.487304
  H      -7.902025      5.692911      4.594380
  H       0.166523      2.657567      3.261360
  H      -1.592295      2.446861      3.324008
  H       0.475012      0.217334      3.921313
  H      -1.084215     -1.307466      3.079055
  H      -4.279518      2.426195      0.927054
  H      -6.950535     -1.261046      1.408476
  H      -6.722900     -3.454980      2.592131
  H      -4.587186     -4.039696      3.726010
  H      -2.691301     -2.478655      3.708853
  H      -3.055847     -0.987455      8.187141
  H      -3.765779     -0.258004      6.753067
  H      -4.126253      1.259303      9.381934
  H      -6.461814      1.024202      9.107418
  H      -6.051469     -3.381729      6.124742
  H     -10.161042     -1.651558      5.029360
  H     -11.296217      0.542059      5.421215
  H     -10.158747      2.317173      6.738066
  H      -7.937035      1.910992      7.737311
  N      -3.503575      1.968210      5.360053
  H      -4.483063      1.792800      4.953047
91
Coordinates from ORCA-job orca E -6199.974592477312
  N      -2.740433      4.110088      7.171198
  Mo     -2.176722      2.386383      6.371437
  N      -2.260793      0.912202      7.665788
  C      -1.287849      0.770044      8.752701
  C      -0.692504      2.127341      9.103418
  N      -0.407523      2.872074      7.857972
  C      -0.449839      4.340487      8.026827
  C      -1.892736      4.795927      8.150870
  C       0.826484      2.405572      7.185369
  C       0.737712      2.720502      5.702993
  N      -0.597002      2.390629      5.205336
  H      -1.938720      5.888530      7.992885
  H      -2.288063      4.609946      9.168912
  H      -0.003353      4.788272      7.128729
  H       0.146551      4.661016      8.898557
  H       1.502112      2.140484      5.161048
  H       0.954056      3.786105      5.503886
  H       0.883778      1.317183      7.320957
  H       1.722104      2.858196      7.644325
  H      -1.775935      0.352591      9.648869
  H      -0.503229      0.047499      8.461396
  H      -1.432152      2.704059      9.673758
  H       0.213904      2.025084      9.723775
  C      -4.072563      4.745026      7.106320
  C      -5.104013      3.889267      6.453331
  C      -5.773638      4.228565      5.339518
  C      -6.633699      3.266516      4.637901
  N      -6.193764      2.005996      4.582790
  C      -6.957268      1.090743      3.930029
  N      -8.092749      1.306412      3.303902
  C      -8.564865      2.586330      3.330217
  C      -9.796762      2.883532      2.698228
  C     -10.319835      4.162152      2.770778
  C      -9.637511      5.185531      3.468639
  C      -8.426449      4.928777      4.078107
  C      -7.861959      3.630820      4.014594
  C      -0.646879      2.094080      3.758234
  C      -0.468181      0.617675      3.554044
  C      -1.357957     -0.265410      3.060286
  C      -2.682783      0.012731      2.495801
  N      -2.914573      1.203272      1.937922
  C      -4.135523      1.408158      1.386223
  N      -5.139791      0.556094      1.302262
  C      -4.941439     -0.664269      1.884394
  C      -6.002457     -1.602651      1.881321
  C      -5.858397     -2.810090      2.531683
  C      -4.648517     -3.129257      3.191054
  C      -3.590960     -2.242220      3.189713
  C      -3.707672     -0.991846      2.533177
  C      -3.395093     -0.023983      7.754519
  C      -4.486509      0.574093      8.598555
  C      -5.818533      0.431036      8.448159
  C      -6.492196     -0.458878      7.498453
  N      -5.884152     -1.599329      7.165022
  C      -6.563202     -2.453354      6.355177
  N      -7.779975     -2.308194      5.866197
  C      -8.412350     -1.131684      6.163795
  C      -9.697555     -0.881924      5.622349
  C     -10.319696      0.327036      5.847865
  C      -9.683134      1.332888      6.610723
  C      -8.441770      1.108993      7.170693
  C      -7.786005     -0.132950      6.975240
  H      -3.987357      5.712789      6.579304
  H      -4.383131      4.967789      8.146347
  H      -5.304809      2.927256      6.935135
  H      -5.637010      5.219033      4.895019
  H      -6.564324      0.072071      3.921334
  H     -10.312004      2.077021      2.175096
  H     -11.274408      4.387681      2.291911
  H     -10.076687      6.180227      3.521470
  H      -7.906533      5.716419      4.619950
  H       0.174040      2.642990      3.261777
  H      -1.587716      2.439813      3.320876
  H       0.474938      0.211610      3.936355
  H      -1.079335     -1.319800      3.102940
  H      -4.292097      2.397483      0.945644
  H      -6.932425     -1.318988      1.386930
  H      -6.686080     -3.519508      2.555816
  H      -4.553125     -4.085431      3.707145
  H      -2.673862     -2.502564      3.716878
  H      -3.052173     -0.980794      8.187031
  H      -3.763273     -0.257657      6.749066
  H      -4.136725      1.255914      9.380141
  H      -6.470362      1.014459      9.102955
  H      -6.040444     -3.378987      6.104378
  H     -10.156673     -1.659363      5.011997
  H     -11.302653      0.522190      5.416473
  H     -10.175116      2.295307      6.746085
  H      -7.952671      1.896803      7.743740
  N      -3.507478      1.972134      5.359302
  H      -4.485850      1.796162      4.952252
91
Coordinates from ORCA-job orca E -6199.974687288371
  N      -2.740449      4.105494      7.177200
  Mo     -2.179539      2.378661      6.382372
  N      -2.253459      0.910904      7.682853
  C      -1.277445      0.775193      8.768086
  C      -0.681430      2.135264      9.107734
  N      -0.403840      2.875174      7.858188
  C      -0.447441      4.343958      8.019563
  C      -1.889194      4.797938      8.148343
  C       0.826579      2.405177      7.182298
  C       0.731924      2.713821      5.699363
  N      -0.605855      2.384491      5.209923
  H      -1.938375      5.890135      7.984685
  H      -2.277550      4.617019      9.169454
  H      -0.006881      4.787269      7.116723
  H       0.152239      4.669672      8.886195
  H       1.492544      2.130660      5.155417
  H       0.949810      3.778958      5.495981
  H       0.882874      1.316847      7.321874
  H       1.725186      2.858057      7.634777
  H      -1.763485      0.363337      9.667413
  H      -0.495038      0.049957      8.477422
  H      -1.417187      2.716051      9.678321
  H       0.228614      2.034944      9.722953
  C      -4.072125      4.742558      7.114383
  C      -5.106029      3.889241      6.462080
  C      -5.769062      4.228149      5.344483
  C      -6.631102      3.267626      4.643942
  N      -6.203502      1.999913      4.612041
  C      -6.965202      1.085794      3.959361
  N      -8.090171      1.306303      3.315781
  C      -8.550991      2.590959      3.319102
  C      -9.771210      2.890632      2.666403
  C     -10.283520      4.171028      2.716115
  C      -9.599406      5.199789      3.407093
  C      -8.399081      4.941619      4.036301
  C      -7.847973      3.636295      4.000110
  C      -0.664507      2.096082      3.761496
  C      -0.496006      0.620445      3.549907
  C      -1.393173     -0.253891      3.055903
  C      -2.716781      0.035005      2.497265
  N      -2.941319      1.228715      1.942059
  C      -4.162580      1.443363      1.394761
  N      -5.172746      0.598831      1.312363
  C      -4.981755     -0.623174      1.892509
  C      -6.053556     -1.550994      1.896001
  C      -5.917759     -2.757769      2.548270
  C      -4.706845     -3.087375      3.203626
  C      -3.640540     -2.210513      3.196993
  C      -3.748879     -0.960709      2.537905
  C      -3.383031     -0.030821      7.776588
  C      -4.479450      0.567106      8.610311
  C      -5.808606      0.413655      8.455448
  C      -6.471458     -0.488657      7.510956
  N      -5.856505     -1.629554      7.194246
  C      -6.526430     -2.490965      6.386455
  N      -7.739104     -2.354240      5.885982
  C      -8.377694     -1.178011      6.166996
  C      -9.658652     -0.936522      5.612805
  C     -10.285475      0.270527      5.822852
  C      -9.657993      1.285993      6.581543
  C      -8.421546      1.070241      7.154293
  C      -7.761673     -0.171616      6.975019
  H      -3.984675      5.710492      6.589251
  H      -4.382025      4.966367      8.154518
  H      -5.313946      2.928625      6.942879
  H      -5.625107      5.214274      4.895573
  H      -6.581836      0.062555      3.968558
  H     -10.287015      2.083397      2.146264
  H     -11.229077      4.398370      2.220983
  H     -10.027711      6.202779      3.436978
  H      -7.876509      5.735604      4.571797
  H       0.156433      2.642967      3.263693
  H      -1.605624      2.449318      3.330987
  H       0.445848      0.207815      3.925690
  H      -1.121883     -1.309817      3.090650
  H      -4.314845      2.435136      0.958071
  H      -6.986698     -1.258720      1.406738
  H      -6.753730     -3.459238      2.577338
  H      -4.619433     -4.042406      3.722551
  H      -2.723612     -2.476439      3.722492
  H      -3.036595     -0.979382      8.219594
  H      -3.745944     -0.276757      6.773362
  H      -4.137023      1.258624      9.386632
  H      -6.466459      1.000349      9.100194
  H      -6.000263     -3.425246      6.154115
  H     -10.110815     -1.720963      5.006239
  H     -11.264301      0.459416      5.380387
  H     -10.152794      2.253102      6.700704
  H      -7.938816      1.864874      7.724086
  N      -3.515145      1.963897      5.376538
  H      -4.495432      1.788924      4.977814
91
Coordinates from ORCA-job orca E -6199.974776114439
  N      -2.740264      4.106987      7.172832
  Mo     -2.179332      2.377203      6.382505
  N      -2.250058      0.911704      7.685721
  C      -1.280331      0.780353      8.777544
  C      -0.685769      2.141539      9.114445
  N      -0.405864      2.874183      7.860318
  C      -0.446319      4.344392      8.015408
  C      -1.888650      4.802431      8.139853
  C       0.824381      2.396889      7.187139
  C       0.734571      2.707047      5.702538
  N      -0.606426      2.389153      5.209452
  H      -1.936517      5.892100      7.970328
  H      -2.278329      4.629277      9.161616
  H      -0.003245      4.781707      7.110116
  H       0.153086      4.672505      8.882461
  H       1.492608      2.118045      5.159756
  H       0.961973      3.770815      5.499144
  H       0.873655      1.307832      7.326658
  H       1.725946      2.842851      7.641962
  H      -1.773449      0.373112      9.675218
  H      -0.496639      0.052863      8.494340
  H      -1.424654      2.725281      9.680492
  H       0.224137      2.045141      9.732539
  C      -4.071154      4.745010      7.109319
  C      -5.105575      3.892948      6.459240
  C      -5.770358      4.228022      5.341587
  C      -6.634052      3.268283      4.642836
  N      -6.211102      1.998220      4.614225
  C      -6.973029      1.086741      3.958367
  N      -8.094596      1.312054      3.310257
  C      -8.551407      2.598900      3.311348
  C      -9.767448      2.901462      2.653012
  C     -10.273863      4.183758      2.696914
  C      -9.588497      5.211602      3.389044
  C      -8.393476      4.948420      4.026240
  C      -7.847394      3.641881      3.994092
  C      -0.664887      2.099925      3.759999
  C      -0.499597      0.624097      3.548132
  C      -1.401229     -0.248024      3.057319
  C      -2.726683      0.042633      2.501030
  N      -2.951733      1.237696      1.948685
  C      -4.172826      1.452523      1.401296
  N      -5.181661      0.606777      1.315883
  C      -4.989898     -0.616571      1.892213
  C      -6.057052     -1.548741      1.886884
  C      -5.919036     -2.758557      2.533143
  C      -4.709970     -3.087336      3.190958
  C      -3.647291     -2.206786      3.192022
  C      -3.758409     -0.953861      2.538675
  C      -3.377401     -0.034169      7.778524
  C      -4.473657      0.560408      8.616584
  C      -5.802055      0.406847      8.463866
  C      -6.466296     -0.496611      7.521016
  N      -5.850837     -1.640409      7.205904
  C      -6.520407     -2.500095      6.397522
  N      -7.733724     -2.362980      5.897081
  C      -8.373876     -1.189882      6.179728
  C      -9.656409     -0.953388      5.628621
  C     -10.283082      0.257168      5.835244
  C      -9.656646      1.272577      6.595013
  C      -8.420241      1.056565      7.168861
  C      -7.758171     -0.181067      6.986368
  H      -3.984525      5.713253      6.584654
  H      -4.379062      4.969442      8.149703
  H      -5.312044      2.932717      6.938729
  H      -5.626624      5.212620      4.888288
  H      -6.592130      0.063705      3.965670
  H     -10.284682      2.094456      2.132483
  H     -11.215641      4.414235      2.196462
  H     -10.012120      6.217895      3.414263
  H      -7.870935      5.740353      4.564354
  H       0.156087      2.645677      3.263040
  H      -1.605067      2.454220      3.329723
  H       0.444402      0.209796      3.920755
  H      -1.131529     -1.304427      3.090349
  H      -4.325827      2.445332      0.967020
  H      -6.985855     -1.260205      1.392609
  H      -6.750042     -3.464940      2.552667
  H      -4.619963     -4.045965      3.703689
  H      -2.728904     -2.473221      3.716125
  H      -3.026241     -0.983836      8.219235
  H      -3.741439     -0.279195      6.775051
  H      -4.130551      1.253997      9.391806
  H      -6.458306      0.995136      9.108375
  H      -5.992104     -3.429894      6.162619
  H     -10.108604     -1.740202      5.023538
  H     -11.262122      0.445635      5.391711
  H     -10.153317      2.236370      6.715993
  H      -7.938215      1.851220      7.739598
  N      -3.519661      1.964767      5.381764
  H      -4.500331      1.793560      4.981851
91
Coordinates from ORCA-job orca E -6199.974826266573
  N      -2.739612      4.106948      7.173168
  Mo     -2.180785      2.372996      6.389383
  N      -2.245843      0.912644      7.698145
  C      -1.276360      0.786386      8.790412
  C      -0.681080      2.148718      9.119514
  N      -0.405063      2.875545      7.861743
  C      -0.443666      4.346243      8.010809
  C      -1.885485      4.805886      8.135483
  C       0.822799      2.394790      7.187638
  C       0.730850      2.700260      5.702992
  N      -0.611115      2.385556      5.213272
  H      -1.932538      5.894593      7.960997
  H      -2.273338      4.638214      9.158744
  H      -0.002111      4.778982      7.102820
  H       0.157702      4.677785      8.875068
  H       1.485555      2.107780      5.160362
  H       0.960430      3.761828      5.496150
  H       0.870794      1.306748      7.329835
  H       1.725457      2.840817      7.639188
  H      -1.770284      0.384763      9.689787
  H      -0.494025      0.056367      8.511247
  H      -1.417478      2.734838      9.685313
  H       0.230599      2.055089      9.734159
  C      -4.068818      4.748484      7.108204
  C      -5.105493      3.897113      6.460551
  C      -5.768112      4.229225      5.340211
  C      -6.632472      3.269239      4.643669
  N      -6.214259      1.999430      4.625508
  C      -6.975641      1.086174      3.970916
  N      -8.092307      1.310632      3.314291
  C      -8.543253      2.599486      3.303134
  C      -9.751236      2.903583      2.630727
  C     -10.248710      4.190559      2.656046
  C      -9.563673      5.220373      3.345764
  C      -8.376955      4.955389      3.997665
  C      -7.838946      3.644621      3.982855
  C      -0.673402      2.099778      3.762535
  C      -0.515719      0.623331      3.546527
  C      -1.422356     -0.242271      3.054342
  C      -2.745657      0.056892      2.499833
  N      -2.965479      1.255361      1.952358
  C      -4.186481      1.478754      1.407543
  N      -5.199620      0.638213      1.318942
  C      -5.013742     -0.588171      1.890441
  C      -6.083626     -1.516709      1.878929
  C      -5.951632     -2.729440      2.520812
  C      -4.745728     -3.065392      3.179969
  C      -3.679129     -2.189757      3.185229
  C      -3.783463     -0.934023      2.535494
  C      -3.369671     -0.037699      7.793951
  C      -4.468162      0.555238      8.630765
  C      -5.795982      0.395544      8.479470
  C      -6.455831     -0.514791      7.539824
  N      -5.835433     -1.656951      7.231116
  C      -6.500546     -2.525669      6.426530
  N      -7.712195     -2.395083      5.921639
  C      -8.356195     -1.220747      6.195231
  C      -9.636345     -0.987792      5.636053
  C     -10.266536      0.222323      5.833925
  C      -9.647193      1.241351      6.593848
  C      -8.413086      1.031630      7.174179
  C      -7.746994     -0.206531      7.000321
  H      -3.979421      5.716553      6.581213
  H      -4.376205      4.976510      8.148992
  H      -5.315331      2.936948      6.940485
  H      -5.621364      5.212296      4.881344
  H      -6.600074      0.059722      3.989752
  H     -10.268661      2.094998      2.112629
  H     -11.183792      4.422376      2.143951
  H      -9.981749      6.227782      3.359383
  H      -7.855760      5.748173      4.535077
  H       0.148357      2.643311      3.265335
  H      -1.612512      2.459521      3.335332
  H       0.424717      0.202786      3.917341
  H      -1.159320     -1.300530      3.084214
  H      -4.334239      2.474172      0.977171
  H      -7.008480     -1.224315      1.382696
  H      -6.784366     -3.433164      2.534795
  H      -4.660698     -4.026473      3.688974
  H      -2.762248     -2.461729      3.709028
  H      -3.013941     -0.985688      8.237219
  H      -3.733279     -0.286593      6.790555
  H      -4.128330      1.252658      9.403648
  H      -6.455242      0.982540      9.122581
  H      -5.968435     -3.452997      6.196530
  H     -10.083207     -1.775876      5.031171
  H     -11.243292      0.407317      5.383966
  H     -10.147779      2.201846      6.710295
  H      -7.935862      1.830798      7.743694
  N      -3.524339      1.961125      5.393195
  H      -4.506342      1.792412      4.995420
91
Coordinates from ORCA-job orca E -6199.974876231937
  N      -2.738103      4.108382      7.171872
  Mo     -2.182232      2.369257      6.396168
  N      -2.242201      0.916562      7.712863
  C      -1.273266      0.797749      8.806695
  C      -0.676411      2.161464      9.125357
  N      -0.403054      2.880720      7.862495
  C      -0.439681      4.351698      8.003930
  C      -1.880906      4.812278      8.129055
  C       0.822405      2.394316      7.188488
  C       0.728694      2.691961      5.702999
  N      -0.614587      2.378757      5.217474
  H      -1.927239      5.900523      7.948607
  H      -2.266518      4.650043      9.154631
  H       0.000088      4.779294      7.092772
  H       0.163859      4.688006      8.864730
  H       1.480699      2.094876      5.161995
  H       0.959992      3.751516      5.489870
  H       0.868437      1.307358      7.336464
  H       1.726588      2.841522      7.635538
  H      -1.769278      0.404873      9.709075
  H      -0.492809      0.063537      8.533979
  H      -1.409888      2.751377      9.690769
  H       0.237424      2.069985      9.737489
  C      -4.066029      4.752351      7.107325
  C      -5.104079      3.903729      6.460348
  C      -5.764465      4.234122      5.337920
  C      -6.632648      3.274269      4.644381
  N      -6.222734      2.000870      4.637331
  C      -6.984436      1.086890      3.981956
  N      -8.094457      1.314436      3.315432
  C      -8.538847      2.605505      3.296136
  C      -9.737159      2.914834      2.608580
  C     -10.223530      4.206301      2.617111
  C      -9.538875      5.234270      3.308193
  C      -8.361512      4.965441      3.975195
  C      -7.833233      3.651072      3.974997
  C      -0.680740      2.095745      3.766010
  C      -0.531504      0.618640      3.546844
  C      -1.445064     -0.239725      3.054539
  C      -2.767066      0.068910      2.502781
  N      -2.982354      1.271251      1.961438
  C      -4.200721      1.500883      1.414818
  N      -5.215059      0.662910      1.316543
  C      -5.034278     -0.567098      1.881630
  C      -6.105913     -1.493655      1.859839
  C      -5.979903     -2.709764      2.496215
  C      -4.778722     -3.051363      3.160510
  C      -3.710187     -2.178460      3.174992
  C      -3.807689     -0.919227      2.530198
  C      -3.361181     -0.039948      7.812759
  C      -4.463173      0.551409      8.645839
  C      -5.791275      0.383496      8.496335
  C      -6.445974     -0.534324      7.559786
  N      -5.819049     -1.672933      7.256059
  C      -6.478106     -2.549313      6.453466
  N      -7.687889     -2.425577      5.943169
  C      -8.337285     -1.251384      6.208989
  C      -9.615436     -1.024511      5.642623
  C     -10.251280      0.183024      5.834701
  C      -9.641176      1.205834      6.597338
  C      -8.409287      1.001950      7.184680
  C      -7.736550     -0.233451      7.015444
  H      -3.975136      5.720442      6.581062
  H      -4.372504      4.980270      8.147908
  H      -5.317788      2.943344      6.938639
  H      -5.616017      5.214229      4.875365
  H      -6.612043      0.061169      4.005280
  H     -10.254235      2.108506      2.089334
  H     -11.149863      4.443064      2.091014
  H      -9.948693      6.245386      3.309633
  H      -7.840219      5.759027      4.512613
  H       0.142297      2.636365      3.267344
  H      -1.619568      2.461380      3.342661
  H       0.407796      0.190388      3.912507
  H      -1.188431     -1.300289      3.080233
  H      -4.344104      2.499743      0.990760
  H      -7.028902     -1.196783      1.361744
  H      -6.814914     -3.411489      2.502587
  H      -4.699782     -4.014478      3.666232
  H      -2.797964     -2.453338      3.703440
  H      -2.999323     -0.982818      8.261875
  H      -3.723219     -0.296778      6.810642
  H      -4.127652      1.253153      9.416484
  H      -6.454185      0.969070      9.137862
  H      -5.941278     -3.474897      6.228414
  H     -10.056851     -1.817247      5.038094
  H     -11.226124      0.362167      5.379720
  H     -10.147468      2.164266      6.710916
  H      -7.940012      1.801352      7.757322
  N      -3.529720      1.955199      5.405127
  H      -4.513113      1.788088      5.010988
91
Coordinates from ORCA-job orca E -6199.974919713895
  N      -2.736264      4.111170      7.173511
  Mo     -2.185318      2.364835      6.409617
  N      -2.237072      0.922315      7.736842
  C      -1.266840      0.813859      8.831323
  C      -0.668347      2.180182      9.135535
  N      -0.399751      2.888184      7.864926
  C      -0.434012      4.359871      7.993306
  C      -1.873967      4.822653      8.120817
  C       0.822069      2.392278      7.191420
  C       0.724859      2.677872      5.704045
  N      -0.622034      2.367179      5.225248
  H      -1.920186      5.909513      7.930967
  H      -2.254648      4.669186      9.149138
  H       0.001677      4.779420      7.076592
  H       0.173751      4.703908      8.847662
  H       1.472862      2.072373      5.165934
  H       0.960240      3.735340      5.480204
  H       0.865081      1.306365      7.349710
  H       1.728890      2.841704      7.631061
  H      -1.763072      0.431560      9.738435
  H      -0.488208      0.075362      8.565678
  H      -1.397956      2.775354      9.700653
  H       0.248837      2.092074      9.743958
  C      -4.062460      4.758587      7.109953
  C      -5.103720      3.911964      6.465356
  C      -5.759812      4.238969      5.339503
  C      -6.631868      3.278810      4.650390
  N      -6.231589      2.003086      4.659704
  C      -6.990393      1.090086      4.001094
  N      -8.090773      1.318833      3.319800
  C      -8.527227      2.612442      3.286662
  C      -9.713629      2.923673      2.579962
  C     -10.185463      4.221325      2.562760
  C      -9.501327      5.250950      3.252014
  C      -8.338060      4.977561      3.941888
  C      -7.822150      3.658760      3.964469
  C      -0.696802      2.089805      3.772842
  C      -0.561493      0.612638      3.548879
  C      -1.483577     -0.235291      3.053909
  C      -2.802283      0.086164      2.504032
  N      -3.009968      1.292970      1.969769
  C      -4.224139      1.531685      1.419963
  N      -5.241141      0.698406      1.309122
  C      -5.068383     -0.536257      1.866533
  C      -6.144829     -1.457703      1.833637
  C      -6.027817     -2.678042      2.463541
  C      -4.831701     -3.028954      3.133023
  C      -3.759541     -2.161103      3.158508
  C      -3.847336     -0.897366      2.520437
  C      -3.349668     -0.041928      7.842349
  C      -4.457259      0.547274      8.668227
  C      -5.783541      0.369474      8.516693
  C      -6.428234     -0.559177      7.583646
  N      -5.792616     -1.697079      7.290953
  C      -6.440888     -2.579943      6.488359
  N      -7.646849     -2.464131      5.967394
  C      -8.304799     -1.293600      6.223007
  C      -9.579120     -1.075791      5.644996
  C     -10.223864      0.127935      5.828580
  C      -9.627998      1.155965      6.595387
  C      -8.399505      0.961633      7.192609
  C      -7.717088     -0.268981      7.030568
  H      -3.968933      5.725727      6.582293
  H      -4.367253      4.988777      8.150837
  H      -5.323091      2.952474      6.943158
  H      -5.606763      5.215274      4.870333
  H      -6.624677      0.060795      4.038514
  H     -10.232254      2.114198      2.064100
  H     -11.100919      4.460058      2.019259
  H      -9.900980      6.265321      3.235866
  H      -7.819755      5.770388      4.480353
  H       0.127759      2.625694      3.271823
  H      -1.635268      2.464234      3.356076
  H       0.374587      0.173004      3.908816
  H      -1.236917     -1.298496      3.074884
  H      -4.361100      2.535223      1.004584
  H      -7.066632     -1.152703      1.334838
  H      -6.867389     -3.375186      2.461757
  H      -4.760904     -3.994805      3.634447
  H      -2.851805     -2.442031      3.691554
  H      -2.981235     -0.977570      8.300308
  H      -3.707913     -0.309891      6.841829
  H      -4.128550      1.256140      9.435199
  H      -6.451897      0.954362      9.152437
  H      -5.897558     -3.505065      6.273084
  H     -10.011342     -1.873561      5.039782
  H     -11.195801      0.299811      5.365181
  H     -10.142540      2.111627      6.704364
  H      -7.940518      1.765451      7.767474
  N      -3.536908      1.946273      5.425696
  H      -4.520998      1.780222      5.035620
91
Coordinates from ORCA-job orca E -6199.974963448812
  N      -2.734805      4.113188      7.174264
  Mo     -2.186603      2.361561      6.420105
  N      -2.233283      0.926747      7.755635
  C      -1.261881      0.826691      8.850110
  C      -0.662014      2.195042      9.143544
  N      -0.397023      2.893913      7.867216
  C      -0.430121      4.366519      7.984971
  C      -1.869465      4.830955      8.113872
  C       0.822672      2.392053      7.194226
  C       0.722535      2.667025      5.705165
  N      -0.626122      2.357266      5.231471
  H      -1.915917      5.916141      7.916353
  H      -2.247415      4.684833      9.143872
  H       0.002891      4.779662      7.064088
  H       0.180745      4.716933      8.834627
  H       1.467396      2.055034      5.169919
  H       0.960324      3.722217      5.472512
  H       0.865458      1.307381      7.360935
  H       1.730285      2.845134      7.628530
  H      -1.757148      0.451832      9.760777
  H      -0.483979      0.085707      8.589855
  H      -1.388880      2.794021      9.708096
  H       0.257144      2.110509      9.749054
  C      -4.060341      4.761393      7.110398
  C      -5.103002      3.915519      6.466919
  C      -5.756363      4.239431      5.338664
  C      -6.628151      3.278782      4.651368
  N      -6.233813      2.000701      4.672613
  C      -6.991667      1.086279      4.013513
  N      -8.084504      1.315995      3.320686
  C      -8.515637      2.612807      3.276900
  C      -9.693371      2.925605      2.556312
  C     -10.158210      4.223791      2.525057
  C      -9.475296      5.255082      3.213284
  C      -8.320540      4.981374      3.916835
  C      -7.811947      3.659981      3.954474
  C      -0.706732      2.082538      3.779130
  C      -0.583257      0.605147      3.552369
  C      -1.512237     -0.234168      3.054468
  C      -2.828064      0.098645      2.504118
  N      -3.027793      1.309233      1.975809
  C      -4.238888      1.558367      1.423888
  N      -5.259912      0.731292      1.303451
  C      -5.096104     -0.507261      1.855179
  C      -6.177205     -1.422662      1.812627
  C      -6.070356     -2.646319      2.437832
  C      -4.879725     -3.006544      3.111944
  C      -3.802745     -2.145088      3.145589
  C      -3.880018     -0.878172      2.513001
  C      -3.340858     -0.042724      7.865982
  C      -4.452734      0.544081      8.687768
  C      -5.777547      0.358989      8.534552
  C      -6.414466     -0.576094      7.602630
  N      -5.771174     -1.710304      7.314508
  C      -6.411143     -2.598669      6.511593
  N      -7.614790     -2.490510      5.983839
  C      -8.279948     -1.323151      6.233575
  C      -9.551423     -1.111398      5.646321
  C     -10.204759      0.087441      5.827033
  C      -9.620636      1.118378      6.599061
  C      -8.393893      0.932653      7.202071
  C      -7.702743     -0.294375      7.043831
  H      -3.966058      5.727095      6.580725
  H      -4.364107      4.993008      8.151243
  H      -5.324580      2.957451      6.945231
  H      -5.602427      5.213935      4.866346
  H      -6.627836      0.058322      4.056481
  H     -10.210142      2.116534      2.040056
  H     -11.065852      4.463400      1.968998
  H      -9.867813      6.272618      3.183946
  H      -7.802860      5.777535      4.453408
  H       0.120216      2.613990      3.277169
  H      -1.643624      2.463845      3.365682
  H       0.348503      0.156076      3.911393
  H      -1.274864     -1.299215      3.074595
  H      -4.368706      2.565379      1.014755
  H      -7.094246     -1.110556      1.310926
  H      -6.913336     -3.338622      2.428538
  H      -4.816696     -3.975064      3.609342
  H      -2.898110     -2.434223      3.680860
  H      -2.967215     -0.973294      8.329140
  H      -3.696489     -0.317948      6.867090
  H      -4.128506      1.258383      9.451961
  H      -6.449823      0.942374      9.166774
  H      -5.862388     -3.523232      6.302498
  H      -9.975087     -1.909779      5.037584
  H     -11.175153      0.254438      5.357514
  H     -10.142701      2.069348      6.708003
  H      -7.942980      1.741388      7.778962
  N      -3.540531      1.938614      5.441229
  H      -4.525259      1.773722      5.052726
91
Coordinates from ORCA-job orca E -6199.975027929834
  N      -2.732407      4.116830      7.176541
  Mo     -2.188696      2.357127      6.439128
  N      -2.227355      0.933756      7.787482
  C      -1.254372      0.845817      8.881747
  C      -0.651126      2.217035      9.157997
  N      -0.392345      2.901312      7.872645
  C      -0.423133      4.375324      7.973583
  C      -1.861671      4.843477      8.104850
  C       0.823158      2.390579      7.198499
  C       0.717214      2.650477      5.706889
  N      -0.634477      2.344772      5.241459
  H      -1.907413      5.926336      7.895588
  H      -2.236490      4.708469      9.137513
  H       0.006102      4.778337      7.046197
  H       0.192976      4.734910      8.816052
  H       1.455277      2.027850      5.175292
  H       0.960307      3.701155      5.461682
  H       0.865691      1.307859      7.376763
  H       1.732398      2.848459      7.624369
  H      -1.747455      0.482098      9.798116
  H      -0.477489      0.100984      8.629916
  H      -1.374053      2.822267      9.720958
  H       0.270936      2.138580      9.759447
  C      -4.056590      4.766994      7.108405
  C      -5.100860      3.920576      6.467203
  C      -5.748649      4.238481      5.334063
  C      -6.619371      3.276143      4.650206
  N      -6.235292      1.994621      4.691085
  C      -6.992717      1.079968      4.032401
  N      -8.074169      1.310173      3.322555
  C      -8.495621      2.609584      3.260703
  C      -9.659991      2.923497      2.519311
  C     -10.111591      4.224621      2.463136
  C      -9.429362      5.258672      3.148016
  C      -8.288646      4.983869      3.873222
  C      -7.792556      3.658724      3.935569
  C      -0.725912      2.074958      3.789141
  C      -0.621601      0.597038      3.557598
  C      -1.559958     -0.229510      3.054119
  C      -2.870036      0.120030      2.500237
  N      -3.056897      1.336492      1.980898
  C      -4.263009      1.602855      1.425739
  N      -5.290737      0.786570      1.291653
  C      -5.142016     -0.457714      1.835741
  C      -6.231981     -1.361363      1.781017
  C      -6.144010     -2.588199      2.402657
  C      -4.962187     -2.963756      3.083328
  C      -3.875115     -2.114980      3.125637
  C      -3.933583     -0.845035      2.498839
  C      -3.327747     -0.042650      7.902808
  C      -4.445393      0.539745      8.719421
  C      -5.767769      0.340979      8.564377
  C      -6.391308     -0.604332      7.633709
  N      -5.735997     -1.733000      7.352779
  C      -6.362162     -2.629990      6.548709
  N      -7.561638     -2.532948      6.008845
  C      -8.237932     -1.369580      6.248859
  C      -9.504508     -1.170251      5.647843
  C     -10.170996      0.022866      5.822880
  C      -9.605651      1.058074      6.603654
  C      -8.383139      0.882039      7.219097
  C      -7.677972     -0.336031      7.065020
  H      -3.959651      5.728664      6.571880
  H      -4.360617      5.004209      8.147972
  H      -5.327198      2.966747      6.951196
  H      -5.592062      5.210832      4.857184
  H      -6.636189      0.049361      4.090006
  H     -10.175214      2.113685      2.004514
  H     -11.006777      4.465052      1.887707
  H      -9.809389      6.280600      3.096726
  H      -7.771273      5.784530      4.405529
  H       0.105336      2.598695      3.285968
  H      -1.659441      2.468101      3.380315
  H       0.301749      0.133841      3.918964
  H      -1.335800     -1.297124      3.074612
  H      -4.381344      2.614673      1.025076
  H      -7.140657     -1.036742      1.275258
  H      -6.994366     -3.270524      2.385931
  H      -4.913750     -3.934383      3.577960
  H      -2.977266     -2.417621      3.665131
  H      -2.948149     -0.968250      8.370495
  H      -3.679728     -0.324821      6.904897
  H      -4.128139      1.262171      9.479070
  H      -6.447074      0.920105      9.192084
  H      -5.804870     -3.552248      6.348932
  H      -9.915114     -1.973009      5.034837
  H     -11.138461      0.181115      5.344111
  H     -10.138531      2.004512      6.710444
  H      -7.946935      1.691909      7.803275
  N      -3.545128      1.924935      5.468162
  H      -4.530732      1.760898      5.080135
91
Coordinates from ORCA-job orca E -6199.975089564548
  N      -2.729283      4.121607      7.181313
  Mo     -2.191852      2.351096      6.468659
  N      -2.218472      0.945317      7.835570
  C      -1.242994      0.875392      8.928739
  C      -0.635107      2.250420      9.179051
  N      -0.384985      2.913004      7.880936
  C      -0.413717      4.388698      7.957027
  C      -1.850813      4.861234      8.092750
  C       0.824563      2.389372      7.204836
  C       0.709083      2.626281      5.709381
  N      -0.647635      2.325011      5.257571
  H      -1.896509      5.940808      7.866947
  H      -2.219713      4.742064      9.129538
  H       0.008564      4.776277      7.019927
  H       0.210052      4.761663      8.788345
  H       1.437853      1.988404      5.183007
  H       0.959798      3.670636      5.445632
  H       0.867335      1.309508      7.400435
  H       1.737039      2.853442      7.617009
  H      -1.732730      0.527852      9.853366
  H      -0.467250      0.125263      8.688147
  H      -1.353487      2.865901      9.737539
  H       0.291006      2.180886      9.775726
  C      -4.052124      4.774019      7.105577
  C      -5.097183      3.926174      6.466694
  C      -5.735128      4.234635      5.325406
  C      -6.603821      3.268711      4.645856
  N      -6.234274      1.983157      4.713814
  C      -6.991667      1.066835      4.057226
  N      -8.057309      1.297202      3.324087
  C      -8.463484      2.600390      3.234357
  C      -9.608929      2.914601      2.464288
  C     -10.041080      4.220307      2.372674
  C      -9.359449      5.258425      3.052309
  C      -8.239045      4.982484      3.807841
  C      -7.760880      3.652716      3.904798
  C      -0.756937      2.062354      3.805661
  C      -0.682074      0.584432      3.567117
  C      -1.633690     -0.222521      3.055686
  C      -2.933131      0.152304      2.494872
  N      -3.096805      1.377014      1.988029
  C      -4.293013      1.668671      1.424930
  N      -5.331619      0.869576      1.270786
  C      -5.208213     -0.382334      1.804558
  C      -6.312806     -1.266708      1.732709
  C      -6.252740     -2.498582      2.348315
  C      -5.083493     -2.898900      3.037363
  C      -3.981590     -2.069666      3.093449
  C      -4.012096     -0.795334      2.475294
  C      -3.307931     -0.041352      7.957508
  C      -4.434473      0.533412      8.767504
  C      -5.753647      0.313801      8.609774
  C      -6.357991     -0.645126      7.680155
  N      -5.685950     -1.767621      7.409365
  C      -6.291618     -2.673207      6.600669
  N      -7.484523     -2.589354      6.042115
  C      -8.177694     -1.434626      6.272082
  C      -9.436855     -1.249674      5.650471
  C     -10.124022     -0.068030      5.822200
  C      -9.586185      0.971021      6.617528
  C      -8.368254      0.812784      7.246307
  C      -7.642735     -0.395408      7.097976
  H      -3.951462      5.729589      6.559772
  H      -4.357943      5.019704      8.142085
  H      -5.331256      2.979631      6.961076
  H      -5.573211      5.202910      4.842362
  H      -6.644563      0.035217      4.132113
  H     -10.124344      2.100202      1.954431
  H     -10.919755      4.459769      1.772371
  H      -9.722791      6.283706      2.972051
  H      -7.724202      5.785563      4.336570
  H       0.080571      2.572919      3.299687
  H      -1.685693      2.474166      3.403839
  H       0.230299      0.101533      3.931758
  H      -1.427584     -1.293862      3.074035
  H      -4.392547      2.686657      1.035592
  H      -7.211348     -0.920804      1.223006
  H      -7.115283     -3.165174      2.321708
  H      -5.057800     -3.872114      3.528647
  H      -3.095331     -2.392358      3.640017
  H      -2.919335     -0.960072      8.431816
  H      -3.654096     -0.333650      6.960459
  H      -4.128092      1.265647      9.521955
  H      -6.443889      0.886306      9.231811
  H      -5.721872     -3.589353      6.412098
  H      -9.827192     -2.055080      5.028296
  H     -11.087722      0.076900      5.331836
  H     -10.135956      1.906567      6.725559
  H      -7.952328      1.628351      7.839633
  N      -3.550980      1.903534      5.508337
  H      -4.536454      1.738832      5.119846
91
Coordinates from ORCA-job orca E -6199.975142594749
  N      -2.723795      4.134691      7.181638
  Mo     -2.196461      2.355592      6.489155
  N      -2.218331      0.962842      7.869212
  C      -1.243974      0.902022      8.963048
  C      -0.628094      2.277578      9.194505
  N      -0.380720      2.923917      7.888223
  C      -0.404015      4.400610      7.945958
  C      -1.838500      4.880976      8.081917
  C       0.822915      2.387616      7.210982
  C       0.701754      2.610061      5.712771
  N      -0.659209      2.314454      5.269075
  H      -1.880129      5.958220      7.843466
  H      -2.204643      4.775209      9.121390
  H       0.015903      4.774475      7.002285
  H       0.224677      4.781366      8.770226
  H       1.423485      1.960948      5.190070
  H       0.960976      3.649697      5.438033
  H       0.861623      1.309388      7.417615
  H       1.740417      2.850938      7.613357
  H      -1.734550      0.568112      9.892546
  H      -0.472012      0.144766      8.730969
  H      -1.342115      2.903687      9.746969
  H       0.299693      2.211497      9.789278
  C      -4.044169      4.791963      7.097861
  C      -5.091896      3.942746      6.464034
  C      -5.726573      4.244365      5.319122
  C      -6.597337      3.277217      4.643847
  N      -6.233695      1.991636      4.714856
  C      -6.995748      1.077702      4.059670
  N      -8.060221      1.309830      3.325535
  C      -8.457854      2.614536      3.229338
  C      -9.597719      2.933165      2.452735
  C     -10.020371      4.240857      2.352640
  C      -9.333785      5.277235      3.029766
  C      -8.219190      4.997128      3.792329
  C      -7.750552      3.664471      3.898079
  C      -0.776994      2.046163      3.819344
  C      -0.718757      0.567214      3.585061
  C      -1.673758     -0.232862      3.069910
  C      -2.965055      0.149774      2.495496
  N      -3.119392      1.380477      2.000935
  C      -4.307023      1.679636      1.423047
  N      -5.343941      0.882699      1.243589
  C      -5.229666     -0.375070      1.765278
  C      -6.332394     -1.258196      1.665256
  C      -6.281482     -2.496971      2.268475
  C      -5.123355     -2.905327      2.971969
  C      -4.022164     -2.077357      3.053640
  C      -4.043461     -0.796811      2.448893
  C      -3.300439     -0.031537      7.991224
  C      -4.433046      0.535624      8.798342
  C      -5.749344      0.303239      8.636691
  C      -6.341415     -0.659628      7.704306
  N      -5.656790     -1.774239      7.431537
  C      -6.249721     -2.684170      6.617271
  N      -7.439978     -2.610702      6.051309
  C      -8.146586     -1.464769      6.284243
  C      -9.403222     -1.288194      5.653689
  C     -10.107975     -0.116236      5.833346
  C      -9.589758      0.918292      6.645904
  C      -8.371867      0.770398      7.278014
  C      -7.628031     -0.424445      7.120418
  H      -3.938171      5.741094      6.542064
  H      -4.350936      5.049626      8.131046
  H      -5.328952      3.003001      6.969916
  H      -5.559141      5.209297      4.831026
  H      -6.656580      0.040119      4.137479
  H     -10.114954      2.120912      1.943205
  H     -10.893427      4.483999      1.745114
  H      -9.686399      6.306634      2.938435
  H      -7.699553      5.800378      4.317386
  H       0.066436      2.543766      3.310107
  H      -1.701384      2.468121      3.416593
  H       0.186597      0.077480      3.960012
  H      -1.474264     -1.305254      3.093672
  H      -4.401066      2.701584      1.043945
  H      -7.222414     -0.904730      1.145402
  H      -7.142683     -3.163708      2.221192
  H      -5.106335     -3.882749      3.455495
  H      -3.145175     -2.408339      3.610594
  H      -2.906036     -0.947619      8.467311
  H      -3.642374     -0.327840      6.993757
  H      -4.134832      1.270797      9.552434
  H      -6.447015      0.869714      9.256854
  H      -5.671292     -3.595470      6.430622
  H      -9.778275     -2.091077      5.019935
  H     -11.070853      0.022676      5.337691
  H     -10.153833      1.844456      6.763333
  H      -7.971411      1.585297      7.883026
  N      -3.555312      1.894374      5.535941
  H      -4.536405      1.726897      5.138292
91
Coordinates from ORCA-job orca E -6199.975214020058
  N      -2.726285      4.131678      7.185340
  Mo     -2.199191      2.350828      6.499000
  N      -2.213342      0.963109      7.883240
  C      -1.236876      0.908189      8.974837
  C      -0.622352      2.285388      9.198171
  N      -0.379057      2.927491      7.889107
  C      -0.404732      4.404378      7.941657
  C      -1.839271      4.883098      8.079485
  C       0.822589      2.390334      7.209707
  C       0.696052      2.607099      5.711363
  N      -0.665904      2.308379      5.274127
  H      -1.883016      5.959015      7.835966
  H      -2.200899      4.782594      9.121177
  H       0.011097      4.773417      6.994488
  H       0.225714      4.789552      8.762418
  H       1.416651      1.957507      5.187703
  H       0.953808      3.645676      5.433169
  H       0.862788      1.313120      7.419848
  H       1.742216      2.854443      7.606203
  H      -1.725979      0.578425      9.906494
  H      -0.465480      0.150131      8.743040
  H      -1.335197      2.913942      9.748609
  H       0.306896      2.222233      9.790612
  C      -4.045774      4.790319      7.098953
  C      -5.093509      3.940635      6.466346
  C      -5.723056      4.239668      5.318018
  C      -6.594616      3.274229      4.641440
  N      -6.240384      1.986428      4.723616
  C      -7.003780      1.073711      4.070327
  N      -8.063697      1.308391      3.329926
  C      -8.449612      2.615264      3.218442
  C      -9.581531      2.936268      2.431314
  C      -9.991914      4.248580      2.316151
  C      -9.301757      5.284702      2.989736
  C      -8.195093      5.001521      3.762753
  C      -7.737997      3.665791      3.882590
  C      -0.787857      2.043311      3.824351
  C      -0.737122      0.564598      3.586186
  C      -1.697324     -0.228561      3.071085
  C      -2.988165      0.163414      2.498395
  N      -3.135884      1.397489      2.008701
  C      -4.321514      1.702415      1.428185
  N      -5.360176      0.909201      1.242369
  C      -5.252276     -0.350307      1.760106
  C      -6.357167     -1.229907      1.653187
  C      -6.312556     -2.469703      2.254361
  C      -5.160451     -2.883131      2.963407
  C      -4.056390     -2.059935      3.050752
  C      -4.070638     -0.778215      2.446796
  C      -3.291835     -0.034908      8.009412
  C      -4.427472      0.530945      8.812549
  C      -5.741945      0.292457      8.648832
  C      -6.328566     -0.675222      7.718710
  N      -5.639639     -1.789081      7.452766
  C      -6.226646     -2.701394      6.638059
  N      -7.413950     -2.630686      6.065038
  C      -8.125345     -1.485457      6.291870
  C      -9.380505     -1.316093      5.657570
  C     -10.091488     -0.148727      5.834869
  C      -9.580023      0.891798      6.646479
  C      -8.363497      0.749312      7.282628
  C      -7.613965     -0.443017      7.128755
  H      -3.936847      5.738456      6.541360
  H      -4.353262      5.052582      8.131131
  H      -5.334263      3.004526      6.976234
  H      -5.546981      5.201826      4.825982
  H      -6.671762      0.036208      4.154634
  H     -10.103188      2.122038      1.926375
  H     -10.859946      4.493056      1.702420
  H      -9.647887      6.312563      2.890731
  H      -7.673659      5.802779      4.286510
  H       0.056728      2.537398      3.313548
  H      -1.710066      2.471689      3.424163
  H       0.166393      0.071037      3.960884
  H      -1.504135     -1.301854      3.091966
  H      -4.411193      2.725749      1.051461
  H      -7.242863     -0.873314      1.128434
  H      -7.174725     -3.134722      2.200523
  H      -5.149976     -3.860713      3.446800
  H      -3.182754     -2.395152      3.610432
  H      -2.893837     -0.946079      8.491165
  H      -3.631746     -0.338683      7.013967
  H      -4.133648      1.270715      9.564029
  H      -6.442993      0.860507      9.263737
  H      -5.645360     -3.610352      6.457210
  H      -9.750067     -2.123837      5.024551
  H     -11.052899     -0.016456      5.336559
  H     -10.148993      1.815832      6.761094
  H      -7.969668      1.564178      7.889730
  N      -3.560285      1.886369      5.550762
  H      -4.541103      1.719474      5.154382
91
Coordinates from ORCA-job orca E -6199.975297137487
  N      -2.730457      4.128392      7.193937
  Mo     -2.204023      2.342577      6.521334
  N      -2.200196      0.965151      7.915745
  C      -1.219806      0.925091      9.004098
  C      -0.610176      2.306283      9.209205
  N      -0.375226      2.936148      7.891327
  C      -0.403401      4.413446      7.930673
  C      -1.838105      4.890622      8.073488
  C       0.821640      2.392624      7.209205
  C       0.685454      2.596957      5.709906
  N      -0.680793      2.297716      5.285510
  H      -1.885360      5.963875      7.818480
  H      -2.189543      4.802140      9.119934
  H       0.003848      4.771905      6.975567
  H       0.232093      4.807540      8.742884
  H       1.401609      1.941634      5.186445
  H       0.944747      3.632506      5.420983
  H       0.861518      1.317197      7.428838
  H       1.746347      2.856776      7.594136
  H      -1.706529      0.604976      9.940581
  H      -0.447840      0.166300      8.776385
  H      -1.322559      2.939343      9.754928
  H       0.322687      2.251630      9.797946
  C      -4.047924      4.789523      7.102313
  C      -5.094474      3.938212      6.471335
  C      -5.711348      4.230767      5.314193
  C      -6.582388      3.266715      4.635196
  N      -6.249082      1.975178      4.750042
  C      -7.012370      1.060126      4.102213
  N      -8.057223      1.295641      3.340185
  C      -8.418315      2.604511      3.189727
  C      -9.526635      2.925819      2.369980
  C      -9.910529      4.243052      2.214746
  C      -9.218031      5.281899      2.880485
  C      -8.134437      4.997873      3.685210
  C      -7.702595      3.658918      3.844326
  C      -0.818051      2.041014      3.835097
  C      -0.791949      0.562772      3.590950
  C      -1.765842     -0.211585      3.074166
  C      -3.049556      0.204853      2.502689
  N      -3.177986      1.445356      2.022289
  C      -4.356134      1.768209      1.436430
  N      -5.402302      0.989203      1.238233
  C      -5.314504     -0.274159      1.748355
  C      -6.431398     -1.138110      1.631505
  C      -6.407803     -2.379184      2.229496
  C      -5.267155     -2.811257      2.945585
  C      -4.151704     -2.005279      3.041999
  C      -4.144270     -0.721177      2.440464
  C      -3.269347     -0.042747      8.049550
  C      -4.411958      0.518066      8.845389
  C      -5.723373      0.262375      8.680622
  C      -6.296992     -0.718489      7.755744
  N      -5.597782     -1.828590      7.502758
  C      -6.171926     -2.750565      6.688521
  N      -7.352524     -2.689979      6.102179
  C      -8.074238     -1.548867      6.317313
  C      -9.324104     -1.389933      5.670118
  C     -10.046881     -0.228460      5.839024
  C      -9.552985      0.816598      6.655169
  C      -8.341158      0.685620      7.302385
  C      -7.579680     -0.500416      7.156325
  H      -3.933766      5.736007      6.542135
  H      -4.357656      5.059461      8.132067
  H      -5.344768      3.007805      6.987554
  H      -5.520722      5.186195      4.815055
  H      -6.698532      0.019497      4.213830
  H     -10.050836      2.109397      1.871459
  H     -10.760020      4.489287      1.576214
  H      -9.544180      6.313385      2.749686
  H      -7.611101      5.801290      4.202564
  H       0.028440      2.524127      3.316858
  H      -1.736906      2.486138      3.444500
  H       0.104308      0.055553      3.963649
  H      -1.591455     -1.288312      3.087962
  H      -4.431113      2.795341      1.065780
  H      -7.309598     -0.768152      1.101524
  H      -7.279111     -3.032690      2.166862
  H      -5.275722     -3.788535      3.428884
  H      -3.286580     -2.353661      3.606061
  H      -2.862263     -0.944762      8.541366
  H      -3.605201     -0.360630      7.056636
  H      -4.128493      1.267504      9.591538
  H      -6.433059      0.829060      9.287242
  H      -5.584230     -3.657583      6.520978
  H      -9.679953     -2.201309      5.034113
  H     -11.003103     -0.104277      5.329474
  H     -10.132195      1.734311      6.763802
  H      -7.960446      1.504687      7.912806
  N      -3.571947      1.872056      5.584475
  H      -4.554635      1.706432      5.192648
91
Coordinates from ORCA-job orca E -6199.975362029637
  N      -2.730152      4.134340      7.197931
  Mo     -2.207811      2.341315      6.541963
  N      -2.191567      0.975281      7.948011
  C      -1.209145      0.949160      9.034673
  C      -0.602139      2.333076      9.221236
  N      -0.372247      2.947709      7.895221
  C      -0.399407      4.425724      7.919180
  C      -1.832945      4.905250      8.064192
  C       0.819889      2.395629      7.212927
  C       0.676617      2.584905      5.712682
  N      -0.691856      2.284432      5.298607
  H      -1.880159      5.975541      7.797140
  H      -2.177549      4.830338      9.113847
  H       0.002099      4.772307      6.957524
  H       0.240634      4.828018      8.723236
  H       1.389152      1.923205      5.192111
  H       0.936608      3.616599      5.411772
  H       0.859184      1.322703      7.443426
  H       1.747969      2.860857      7.587469
  H      -1.694519      0.640575      9.975365
  H      -0.437358      0.188245      8.814388
  H      -1.314065      2.971777      9.760255
  H       0.332049      2.287323      9.807265
  C      -4.045028      4.798435      7.098682
  C      -5.091562      3.944190      6.471862
  C      -5.700655      4.228972      5.308402
  C      -6.571599      3.263983      4.628958
  N      -6.251557      1.970804      4.763330
  C      -7.016198      1.055058      4.118942
  N      -8.052223      1.292603      3.344478
  C      -8.394781      2.602236      3.167791
  C      -9.487926      2.923807      2.327876
  C      -9.855775      4.241519      2.149839
  C      -9.158680      5.283584      2.807505
  C      -8.088065      5.000695      3.629597
  C      -7.675343      3.657655      3.816280
  C      -0.840716      2.022305      3.850185
  C      -0.843617      0.543403      3.611474
  C      -1.827922     -0.213792      3.090128
  C      -3.097318      0.224599      2.506848
  N      -3.205266      1.472100      2.039629
  C      -4.372259      1.814641      1.442226
  N      -5.424728      1.050143      1.222179
  C      -5.358849     -0.219183      1.719746
  C      -6.484183     -1.069122      1.578734
  C      -6.483507     -2.315412      2.165010
  C      -5.358742     -2.767434      2.893659
  C      -4.234644     -1.976470      3.012393
  C      -4.202684     -0.687382      2.421587
  C      -3.251071     -0.041696      8.089682
  C      -4.400561      0.511566      8.881431
  C      -5.709233      0.240746      8.715498
  C      -6.270021     -0.747421      7.790571
  N      -5.557121     -1.849716      7.541522
  C      -6.115718     -2.777100      6.722775
  N      -7.291280     -2.727505      6.126485
  C      -8.028223     -1.596157      6.339927
  C      -9.275701     -1.452101      5.685592
  C     -10.016936     -0.303060      5.856866
  C      -9.543942      0.744633      6.681752
  C      -8.333611      0.629582      7.333801
  C      -7.553168     -0.544401      7.185981
  H      -3.926640      5.740819      6.532367
  H      -4.355973      5.078474      8.125206
  H      -5.346207      3.019482      6.996947
  H      -5.499796      5.178553      4.802797
  H      -6.713984      0.013077      4.245075
  H     -10.015091      2.105862      1.834651
  H     -10.695034      4.487605      1.498015
  H      -9.472213      6.315931      2.657528
  H      -7.561605      5.806050      4.140905
  H       0.011387      2.486077      3.324734
  H      -1.752782      2.483199      3.461508
  H       0.042904      0.021879      3.989314
  H      -1.673542     -1.293767      3.104356
  H      -4.430955      2.846888      1.082175
  H      -7.350082     -0.684877      1.038870
  H      -7.361127     -2.958830      2.082324
  H      -5.387230     -3.747545      3.370172
  H      -3.382149     -2.340224      3.584892
  H      -2.833475     -0.934663      8.588558
  H      -3.583657     -0.371771      7.100415
  H      -4.126784      1.267298      9.624907
  H      -6.426902      0.802265      9.318120
  H      -5.517996     -3.679024      6.561500
  H      -9.615045     -2.266060      5.043048
  H     -10.970890     -0.190904      5.341546
  H     -10.138253      1.653080      6.791889
  H      -7.969924      1.450977      7.951084
  N      -3.578583      1.862276      5.613564
  H      -4.557110      1.696214      5.215450
91
Coordinates from ORCA-job orca E -6199.975430087178
  N      -2.728188      4.144833      7.199540
  Mo     -2.211560      2.344431      6.558835
  N      -2.186246      0.987300      7.974837
  C      -1.201500      0.973177      9.060142
  C      -0.596507      2.359593      9.231208
  N      -0.369581      2.960294      7.898021
  C      -0.393646      4.438676      7.908172
  C      -1.826090      4.922456      8.054345
  C       0.817773      2.399182      7.216218
  C       0.668875      2.576742      5.715037
  N      -0.701594      2.275510      5.308496
  H      -1.871733      5.989934      7.775949
  H      -2.166146      4.859842      9.106521
  H       0.004370      4.775668      6.941458
  H       0.250442      4.847212      8.705825
  H       1.378535      1.909829      5.197199
  H       0.928643      3.605553      5.403832
  H       0.855082      1.328148      7.455490
  H       1.748686      2.864892      7.583062
  H      -1.685065      0.674606     10.005030
  H      -0.429412      0.210641      8.847477
  H      -1.309100      3.002387      9.764360
  H       0.338208      2.322245      9.816490
  C      -4.039527      4.812496      7.092867
  C      -5.086837      3.955808      6.471452
  C      -5.688758      4.234808      5.302753
  C      -6.563804      3.272390      4.624619
  N      -6.261587      1.976039      4.775538
  C      -7.036986      1.063137      4.139702
  N      -8.068687      1.306554      3.360839
  C      -8.386008      2.618167      3.159418
  C      -9.468249      2.944738      2.307471
  C      -9.814556      4.265188      2.109856
  C      -9.105582      5.305031      2.757541
  C      -8.044498      5.017153      3.589735
  C      -7.653734      3.671309      3.797368
  C      -0.858946      2.002869      3.863563
  C      -0.889089      0.522149      3.637902
  C      -1.882342     -0.222793      3.114240
  C      -3.139999      0.231070      2.517144
  N      -3.232516      1.482243      2.056805
  C      -4.388679      1.838489      1.445643
  N      -5.443603      1.084045      1.204211
  C      -5.394404     -0.189631      1.693275
  C      -6.522001     -1.031129      1.525614
  C      -6.540882     -2.281115      2.103115
  C      -5.433333     -2.745067      2.849962
  C      -4.305684     -1.963388      2.992789
  C      -4.252495     -0.671328      2.409957
  C      -3.238129     -0.036634      8.121066
  C      -4.393609      0.509602      8.907884
  C      -5.698712      0.224266      8.739064
  C      -6.245062     -0.774296      7.815491
  N      -5.517343     -1.867516      7.571032
  C      -6.058098     -2.802179      6.748071
  N      -7.227601     -2.766420      6.141329
  C      -7.981497     -1.646251      6.352767
  C      -9.225477     -1.516966      5.688778
  C      -9.986649     -0.380685      5.860692
  C      -9.536837      0.669173      6.694409
  C      -8.329029      0.571261      7.353210
  C      -7.528102     -0.589669      7.205468
  H      -3.917122      5.749259      6.518581
  H      -4.350925      5.102790      8.116023
  H      -5.346233      3.038261      7.006904
  H      -5.476515      5.178067      4.791625
  H      -6.749393      0.019187      4.278126
  H     -10.005537      2.128691      1.822375
  H     -10.645818      4.516209      1.449779
  H      -9.402155      6.340974      2.590642
  H      -7.507455      5.822230      4.091398
  H       0.000315      2.445197      3.330875
  H      -1.762581      2.477129      3.472715
  H      -0.013409     -0.011409      4.024638
  H      -1.746084     -1.305076      3.136513
  H      -4.434362      2.873941      1.093066
  H      -7.374014     -0.638586      0.971452
  H      -7.420398     -2.918075      1.998491
  H      -5.477867     -3.727000      3.321553
  H      -3.466548     -2.337324      3.577617
  H      -2.813322     -0.924190      8.624212
  H      -3.567782     -0.374425      7.133103
  H      -4.129331      1.271435      9.648371
  H      -6.424473      0.779072      9.336620
  H      -5.449484     -3.698584      6.593671
  H      -9.545634     -2.331693      5.038593
  H     -10.937816     -0.280589      5.337890
  H     -10.146685      1.566527      6.805062
  H      -7.983731      1.396938      7.976151
  N      -3.585727      1.857030      5.639594
  H      -4.561100      1.689904      5.235742
91
Coordinates from ORCA-job orca E -6199.975488210048
  N      -2.729150      4.149810      7.202736
  Mo     -2.217693      2.341636      6.579028
  N      -2.179266      0.995686      8.005089
  C      -1.191608      0.996791      9.088267
  C      -0.588350      2.386478      9.241339
  N      -0.368819      2.972259      7.901038
  C      -0.391672      4.450613      7.895426
  C      -1.822974      4.936276      8.044682
  C       0.813631      2.403426      7.217923
  C       0.656746      2.567992      5.716193
  N      -0.715613      2.263875      5.319614
  H      -1.869737      6.000638      7.754775
  H      -2.158109      4.885029      9.098921
  H       0.001108      4.778980      6.923880
  H       0.256919      4.867191      8.685236
  H       1.363249      1.896354      5.200250
  H       0.913836      3.594442      5.393894
  H       0.851230      1.334431      7.466021
  H       1.746105      2.872657      7.576239
  H      -1.672261      0.709270     10.038194
  H      -0.418857      0.232592      8.884781
  H      -1.299762      3.033093      9.771480
  H       0.348836      2.358282      9.822677
  C      -4.037816      4.820801      7.087802
  C      -5.086207      3.962372      6.469863
  C      -5.675535      4.233112      5.292914
  C      -6.552223      3.273271      4.614601
  N      -6.267492      1.975273      4.782744
  C      -7.049689      1.065891      4.149097
  N      -8.072675      1.313898      3.359913
  C      -8.366828      2.626793      3.136135
  C      -9.434506      2.957638      2.267200
  C      -9.758001      4.279233      2.047134
  C      -9.039570      5.317967      2.687291
  C      -7.992173      5.026318      3.535206
  C      -7.625545      3.677223      3.767983
  C      -0.882804      1.985170      3.877860
  C      -0.938388      0.504058      3.658326
  C      -1.943539     -0.224976      3.133322
  C      -3.192982      0.249020      2.532463
  N      -3.268635      1.503892      2.081018
  C      -4.414306      1.877979      1.461520
  N      -5.473500      1.136076      1.199098
  C      -5.441687     -0.142958      1.677018
  C      -6.573294     -0.973170      1.484143
  C      -6.611422     -2.228945      2.049191
  C      -5.519066     -2.708460      2.809897
  C      -4.387446     -1.937344      2.976101
  C      -4.313979     -0.640992      2.405533
  C      -3.218594     -0.039143      8.158982
  C      -4.381313      0.499470      8.940085
  C      -5.682921      0.202481      8.767832
  C      -6.214709     -0.803470      7.844142
  N      -5.472331     -1.887299      7.602865
  C      -5.995639     -2.827591      6.774973
  N      -7.160052     -2.804567      6.158077
  C      -7.930668     -1.695292      6.368689
  C      -9.172238     -1.581634      5.697214
  C      -9.952804     -0.458524      5.872137
  C      -9.525268      0.591972      6.716702
  C      -8.319405      0.508825      7.381791
  C      -7.498014     -0.635998      7.229695
  H      -3.911836      5.751951      6.505071
  H      -4.350488      5.119905      8.108370
  H      -5.353742      3.052349      7.013705
  H      -5.448857      5.168391      4.773052
  H      -6.776954      0.018614      4.302589
  H      -9.978479      2.144650      1.786851
  H     -10.577584      4.533659      1.373640
  H      -9.318096      6.356378      2.502245
  H      -7.447293      5.831980      4.029700
  H      -0.017676      2.410645      3.340107
  H      -1.779267      2.472329      3.487550
  H      -0.073819     -0.044249      4.047660
  H      -1.825664     -1.309299      3.157512
  H      -4.445496      2.917238      1.120518
  H      -7.414297     -0.568381      0.921187
  H      -7.494710     -2.856689      1.924411
  H      -5.578821     -3.693602      3.273499
  H      -3.559551     -2.323750      3.570541
  H      -2.783094     -0.916776      8.669640
  H      -3.542693     -0.389396      7.173858
  H      -4.126396      1.266738      9.678183
  H      -6.416240      0.750854      9.362084
  H      -5.375275     -3.716971      6.624564
  H      -9.474837     -2.397300      5.039641
  H     -10.902595     -0.369855      5.343645
  H     -10.150581      1.478759      6.830771
  H      -7.991730      1.336324      8.012258
  N      -3.595457      1.845197      5.670854
  H      -4.568863      1.676087      5.263616
91
Coordinates from ORCA-job orca E -6199.976133955595
  N      -2.717964      4.144456      7.195790
  Mo     -2.210545      2.331421      6.583241
  N      -2.184120      0.997308      8.015792
  C      -1.201893      1.006638      9.100572
  C      -0.592587      2.394387      9.244919
  N      -0.367806      2.969467      7.902930
  C      -0.384329      4.446911      7.888865
  C      -1.812944      4.935726      8.033586
  C       0.817521      2.394240      7.227929
  C       0.666957      2.547079      5.724727
  N      -0.707490      2.249980      5.327219
  H      -1.858333      5.998637      7.737590
  H      -2.150232      4.890993      9.086545
  H       0.012008      4.770963      6.918005
  H       0.263554      4.865347      8.678186
  H       1.368552      1.862577      5.218045
  H       0.936054      3.568872      5.393238
  H       0.850198      1.326179      7.482086
  H       1.749146      2.863492      7.589495
  H      -1.686960      0.726914     10.050926
  H      -0.430259      0.238509      8.905981
  H      -1.301864      3.047765      9.770090
  H       0.344250      2.366498      9.828203
  C      -4.023591      4.824305      7.068525
  C      -5.079010      3.968554      6.455993
  C      -5.661828      4.222497      5.272651
  C      -6.559710      3.266355      4.619671
  N      -6.285728      1.969022      4.797957
  C      -7.092661      1.061382      4.192300
  N      -8.130146      1.309356      3.422283
  C      -8.420363      2.623028      3.195314
  C      -9.504602      2.955170      2.346600
  C      -9.816657      4.276869      2.113043
  C      -9.068314      5.317143      2.718785
  C      -8.003934      5.024633      3.546254
  C      -7.650027      3.672657      3.792822
  C      -0.872426      1.965713      3.885740
  C      -0.905359      0.483862      3.665736
  C      -1.900798     -0.246722      3.126909
  C      -3.148700      0.231233      2.524048
  N      -3.213674      1.484465      2.066931
  C      -4.355107      1.865358      1.447264
  N      -5.418680      1.128956      1.184836
  C      -5.392600     -0.151345      1.660370
  C      -6.527952     -0.976995      1.463818
  C      -6.567101     -2.238461      2.019377
  C      -5.474226     -2.725612      2.777931
  C      -4.343123     -1.955042      2.952639
  C      -4.270482     -0.654055      2.392612
  C      -3.221047     -0.038879      8.174464
  C      -4.396400      0.520108      8.923610
  C      -5.698133      0.240452      8.726645
  C      -6.221800     -0.758468      7.794358
  N      -5.468553     -1.832388      7.542082
  C      -5.989396     -2.774807      6.715642
  N      -7.164046     -2.764654      6.112991
  C      -7.945759     -1.663657      6.334866
  C      -9.207863     -1.576186      5.698249
  C     -10.003374     -0.467211      5.895003
  C      -9.571812      0.591471      6.730079
  C      -8.348694      0.525359      7.368004
  C      -7.512935     -0.601954      7.192424
  H      -3.890403      5.750223      6.478335
  H      -4.339153      5.133054      8.086566
  H      -5.364838      3.068586      7.007431
  H      -5.430218      5.147170      4.734227
  H      -6.827719      0.010130      4.356082
  H     -10.067581      2.144094      1.888415
  H     -10.649639      4.530508      1.454881
  H      -9.339467      6.355613      2.528040
  H      -7.439149      5.830878      4.017597
  H      -0.015033      2.407312      3.346362
  H      -1.779729      2.437573      3.496316
  H      -0.043025     -0.060047      4.061708
  H      -1.773605     -1.330653      3.136424
  H      -4.379227      2.905412      1.108037
  H      -7.372122     -0.565187      0.904470
  H      -7.453315     -2.863516      1.890035
  H      -5.534310     -3.715086      3.232734
  H      -3.513318     -2.344983      3.546107
  H      -2.792923     -0.902855      8.711945
  H      -3.527289     -0.411765      7.192019
  H      -4.148093      1.288290      9.663760
  H      -6.436659      0.799927      9.308464
  H      -5.357455     -3.653342      6.552783
  H      -9.515897     -2.400743      5.051630
  H     -10.972141     -0.397814      5.396810
  H     -10.210939      1.467437      6.864519
  H      -8.019573      1.353429      7.996278
  N      -3.593860      1.849441      5.677089
  H      -4.573495      1.692991      5.279717
91
Coordinates from ORCA-job orca E -6199.976534959821
  N      -2.690750      4.148190      7.171276
  Mo     -2.182029      2.324556      6.591718
  N      -2.182768      1.014148      8.048080
  C      -1.210396      1.042810      9.138246
  C      -0.600827      2.429057      9.262930
  N      -0.354838      2.973758      7.911988
  C      -0.360303      4.450749      7.875724
  C      -1.788880      4.949841      8.001661
  C       0.836968      2.378586      7.264670
  C       0.705386      2.498266      5.756053
  N      -0.671335      2.216430      5.348032
  H      -1.825325      6.007503      7.686164
  H      -2.134600      4.927284      9.053223
  H       0.048451      4.758852      6.903236
  H       0.283414      4.875544      8.666187
  H       1.400783      1.788083      5.276565
  H       0.998440      3.505878      5.401518
  H       0.856699      1.315229      7.540406
  H       1.767860      2.845609      7.631786
  H      -1.701743      0.779447     10.089991
  H      -0.435228      0.272869      8.964713
  H      -1.318897      3.093187      9.762609
  H       0.326621      2.415157      9.861262
  C      -3.988712      4.834855      7.008369
  C      -5.038601      3.975663      6.393981
  C      -5.611726      4.210977      5.202532
  C      -6.508642      3.241564      4.564393
  N      -6.202024      1.946272      4.718081
  C      -7.021777      1.025979      4.146692
  N      -8.098484      1.261215      3.428680
  C      -8.421375      2.571913      3.225242
  C      -9.555129      2.890023      2.438851
  C      -9.905733      4.209043      2.237312
  C      -9.146241      5.256407      2.811571
  C      -8.033440      4.976022      3.576933
  C      -7.639619      3.632150      3.788599
  C      -0.837708      1.904828      3.912282
  C      -0.915251      0.419683      3.732746
  C      -1.917299     -0.285933      3.171129
  C      -3.118675      0.232712      2.512106
  N      -3.100597      1.470392      2.005959
  C      -4.212754      1.904656      1.364860
  N      -5.322928      1.232042      1.126208
  C      -5.379988     -0.033048      1.641716
  C      -6.559560     -0.795008      1.454711
  C      -6.678880     -2.039161      2.036202
  C      -5.625275     -2.571725      2.815278
  C      -4.451299     -1.865379      2.984203
  C      -4.293221     -0.585797      2.394261
  C      -3.227493     -0.013424      8.208748
  C      -4.424389      0.574605      8.896238
  C      -5.719549      0.295468      8.656286
  C      -6.214537     -0.730312      7.734810
  N      -5.433278     -1.787262      7.496523
  C      -5.931289     -2.760224      6.691788
  N      -7.113252     -2.802835      6.108373
  C      -7.925676     -1.723291      6.317421
  C      -9.204980     -1.695995      5.710292
  C     -10.033795     -0.608724      5.891939
  C      -9.616875      0.492025      6.675365
  C      -8.378875      0.489736      7.284774
  C      -7.512013     -0.622708      7.135088
  H      -3.840852      5.748431      6.406987
  H      -4.321746      5.161457      8.012247
  H      -5.335670      3.085955      6.958896
  H      -5.392363      5.133974      4.663192
  H      -6.730273     -0.015464      4.286794
  H     -10.129829      2.068451      2.006654
  H     -10.779803      4.453082      1.631281
  H      -9.448627      6.292893      2.646947
  H      -7.460451      5.787818      4.025671
  H       0.030912      2.309649      3.359981
  H      -1.733380      2.388803      3.508989
  H      -0.087822     -0.146347      4.176838
  H      -1.834276     -1.374147      3.207125
  H      -4.167385      2.932658      0.986746
  H      -7.365323     -0.351737      0.873775
  H      -7.595870     -2.615656      1.909446
  H      -5.747777     -3.546656      3.289152
  H      -3.654021     -2.290155      3.592043
  H      -2.821416     -0.865774      8.784767
  H      -3.508533     -0.414884      7.227323
  H      -4.199026      1.358933      9.626134
  H      -6.474010      0.870110      9.195354
  H      -5.272372     -3.622061      6.537016
  H      -9.499398     -2.547696      5.098304
  H     -11.017996     -0.590437      5.421865
  H     -10.280047      1.348301      6.794636
  H      -8.060899      1.352536      7.871443
  N      -3.568428      1.838852      5.690606
  H      -4.544948      1.682631      5.292771
91
Coordinates from ORCA-job orca E -6199.976940498723
  N      -2.687148      4.158733      7.175270
  Mo     -2.186197      2.326234      6.613182
  N      -2.173400      1.027325      8.079727
  C      -1.196781      1.069825      9.167198
  C      -0.587701      2.458605      9.271229
  N      -0.349155      2.985252      7.911479
  C      -0.348551      4.462225      7.854743
  C      -1.774123      4.968603      7.985371
  C       0.835151      2.377271      7.263811
  C       0.695176      2.481192      5.754929
  N      -0.684801      2.206258      5.360253
  H      -1.809232      6.021511      7.654639
  H      -2.110021      4.963867      9.040248
  H       0.053067      4.755640      6.875449
  H       0.303331      4.894704      8.633805
  H       1.381094      1.759885      5.278902
  H       0.992544      3.481673      5.386259
  H       0.852170      1.317185      7.550919
  H       1.769097      2.844761      7.620346
  H      -1.684333      0.818442     10.124026
  H      -0.421729      0.297777      9.002327
  H      -1.303168      3.128934      9.765566
  H       0.342086      2.453713      9.864461
  C      -3.978491      4.857768      7.011421
  C      -5.047484      4.007737      6.419218
  C      -5.613323      4.228843      5.221748
  C      -6.523039      3.261109      4.600689
  N      -6.249430      1.966883      4.806435
  C      -7.071464      1.045826      4.239944
  N      -8.126216      1.281123      3.489153
  C      -8.415209      2.590604      3.234912
  C      -9.524590      2.906494      2.413424
  C      -9.838829      4.223353      2.157214
  C      -9.065055      5.274271      2.708119
  C      -7.976683      4.997299      3.508726
  C      -7.623913      3.651370      3.782492
  C      -0.868674      1.889076      3.928780
  C      -0.978442      0.405316      3.754557
  C      -1.994497     -0.284447      3.196567
  C      -3.193273      0.249315      2.544756
  N      -3.165046      1.485720      2.037847
  C      -4.276373      1.932204      1.403967
  N      -5.393820      1.270840      1.166612
  C      -5.459737      0.004752      1.678282
  C      -6.643018     -0.749479      1.485149
  C      -6.771925     -1.994297      2.063046
  C      -5.724836     -2.534156      2.846609
  C      -4.546985     -1.835582      3.020284
  C      -4.377179     -0.557258      2.430693
  C      -3.198643     -0.019282      8.240620
  C      -4.414448      0.546518      8.912996
  C      -5.702916      0.249204      8.655865
  C      -6.173762     -0.780054      7.726625
  N      -5.373177     -1.822578      7.485536
  C      -5.841882     -2.789553      6.657304
  N      -7.013117     -2.841449      6.053866
  C      -7.847301     -1.779913      6.269076
  C      -9.111876     -1.760047      5.632471
  C      -9.960054     -0.687987      5.813892
  C      -9.576737      0.404711      6.625570
  C      -8.351558      0.410584      7.260056
  C      -7.464808     -0.685204      7.109991
  H      -3.822413      5.760354      6.394487
  H      -4.298757      5.205327      8.013186
  H      -5.360559      3.136416      7.003502
  H      -5.360848      5.128353      4.654962
  H      -6.807764      0.002254      4.424283
  H     -10.109003      2.084587      1.998012
  H     -10.692912      4.465005      1.522671
  H      -9.337358      6.309747      2.497938
  H      -7.392660      5.812563      3.938730
  H       0.001140      2.274647      3.366585
  H      -1.756709      2.388624      3.531223
  H      -0.163498     -0.175081      4.201873
  H      -1.931405     -1.373411      3.238914
  H      -4.221389      2.958918      1.026818
  H      -7.445543     -0.299718      0.903027
  H      -7.692591     -2.563958      1.931925
  H      -5.856129     -3.507378      3.321208
  H      -3.753824     -2.266494      3.630633
  H      -2.779083     -0.855249      8.828630
  H      -3.460676     -0.438177      7.263432
  H      -4.211320      1.334576      9.645373
  H      -6.471652      0.817511      9.181605
  H      -5.163891     -3.634840      6.494651
  H      -9.379077     -2.605605      4.998056
  H     -10.932590     -0.674768      5.320046
  H     -10.254281      1.251746      6.742610
  H      -8.057351      1.270045      7.863359
  N      -3.571717      1.827430      5.718142
  H      -4.541574      1.659280      5.307033
91
Coordinates from ORCA-job orca E -6199.976048225733
  N      -2.713570      4.153228      7.199679
  Mo     -2.209556      2.325123      6.625597
  N      -2.185401      1.020344      8.085895
  C      -1.195354      1.053073      9.162600
  C      -0.588765      2.443553      9.271400
  N      -0.364611      2.984890      7.911283
  C      -0.369415      4.462509      7.864404
  C      -1.795330      4.963238      8.006236
  C       0.818228      2.384998      7.252448
  C       0.668099      2.495894      5.744708
  N      -0.715678      2.226366      5.363740
  H      -1.837533      6.017668      7.680536
  H      -2.119621      4.953906      9.064830
  H       0.022700      4.758503      6.882707
  H       0.286898      4.891546      8.640698
  H       1.345890      1.771063      5.261038
  H       0.970439      3.494562      5.376718
  H       0.840217      1.323532      7.535004
  H       1.754672      2.851266      7.603465
  H      -1.674014      0.791404     10.122237
  H      -0.421952      0.282254      8.978088
  H      -1.299174      3.111624      9.776013
  H       0.349276      2.432272      9.856444
  C      -4.002177      4.861626      7.050620
  C      -5.076161      4.033016      6.441128
  C      -5.641711      4.286305      5.249687
  C      -6.544955      3.329209      4.606762
  N      -6.254983      2.037737      4.793133
  C      -7.040504      1.114973      4.185878
  N      -8.091978      1.345896      3.429942
  C      -8.418467      2.653959      3.220191
  C      -9.538549      2.965203      2.412709
  C      -9.871543      4.284349      2.174788
  C      -9.115451      5.336036      2.746233
  C      -8.026527      5.061381      3.548080
  C      -7.650561      3.718295      3.794340
  C      -0.902181      1.920567      3.928114
  C      -0.948762      0.436376      3.727227
  C      -1.922647     -0.285577      3.138427
  C      -3.133178      0.202926      2.470248
  N      -3.138758      1.434621      1.949945
  C      -4.249356      1.822019      1.280316
  N      -5.324459      1.107451      1.013234
  C      -5.347224     -0.155187      1.530219
  C      -6.487153     -0.966356      1.304293
  C      -6.574409     -2.210095      1.890309
  C      -5.532377     -2.693225      2.716726
  C      -4.399003     -1.936415      2.929477
  C      -4.273109     -0.655416      2.330644
  C      -3.200396     -0.039737      8.249737
  C      -4.407037      0.505817      8.954528
  C      -5.704921      0.212810      8.728539
  C      -6.219878     -0.790503      7.797263
  N      -5.437690     -1.828777      7.482891
  C      -5.945513     -2.754040      6.630573
  N      -7.140975     -2.771373      6.071943
  C      -7.955472     -1.710746      6.360544
  C      -9.227932     -1.633361      5.744044
  C     -10.043146     -0.546535      5.977548
  C      -9.622706      0.499237      6.833568
  C      -8.388278      0.446117      7.449244
  C      -7.530585     -0.659092      7.233252
  H      -3.836031      5.779644      6.453815
  H      -4.321288      5.193254      8.061459
  H      -5.394010      3.143980      6.993179
  H      -5.378518      5.195178      4.694323
  H      -6.762616      0.068738      4.357884
  H     -10.108760      2.141522      1.985409
  H     -10.728567      4.524150      1.543411
  H      -9.401756      6.368603      2.552397
  H      -7.459501      5.874893      3.998617
  H      -0.057177      2.352297      3.364086
  H      -1.811618      2.392405      3.544800
  H      -0.124105     -0.113339      4.186753
  H      -1.813248     -1.370550      3.166991
  H      -4.227692      2.843546      0.889507
  H      -7.297370     -0.557533      0.690770
  H      -7.464979     -2.824888      1.735034
  H      -5.636252     -3.664618      3.198152
  H      -3.606413     -2.320496      3.574272
  H      -2.763097     -0.870828      8.829103
  H      -3.471210     -0.461346      7.277622
  H      -4.188015      1.279899      9.698516
  H      -6.453892      0.788990      9.278847
  H      -5.273749     -3.580298      6.386279
  H      -9.525051     -2.444467      5.075207
  H     -11.015495     -0.479993      5.487510
  H     -10.275592      1.359844      6.992241
  H      -8.057959      1.273216      8.077477
  N      -3.599478      1.836992      5.728216
  H      -4.578166      1.670851      5.327580
91
Coordinates from ORCA-job orca E -6199.977287375912
  N      -2.686991      4.179292      7.184177
  Mo     -2.200502      2.339060      6.638995
  N      -2.184686      1.050507      8.115496
  C      -1.200078      1.098312      9.196437
  C      -0.585264      2.486541      9.283271
  N      -0.352811      3.000237      7.915937
  C      -0.342899      4.477205      7.845546
  C      -1.764631      4.994404      7.979370
  C       0.824073      2.378586      7.266788
  C       0.675906      2.466869      5.756875
  N      -0.709418      2.203596      5.375926
  H      -1.796040      6.043430      7.636206
  H      -2.093103      5.004256      9.036575
  H       0.054078      4.757513      6.860753
  H       0.317089      4.911844      8.616346
  H       1.348644      1.729718      5.285887
  H       0.984273      3.458045      5.372964
  H       0.836748      1.321407      7.564742
  H       1.762849      2.844040      7.613013
  H      -1.682541      0.857138     10.158906
  H      -0.429335      0.321113      9.033233
  H      -1.295211      3.165367      9.774133
  H       0.348607      2.483919      9.871612
  C      -3.974425      4.879768      7.011826
  C      -5.035762      4.022227      6.414904
  C      -5.592655      4.236015      5.211624
  C      -6.506444      3.269945      4.591154
  N      -6.236399      1.974110      4.792547
  C      -7.060002      1.057693      4.221172
  N      -8.117619      1.297508      3.476643
  C      -8.411054      2.608395      3.237820
  C      -9.531639      2.929092      2.434126
  C      -9.843815      4.248427      2.182863
  C      -9.060010      5.294930      2.727197
  C      -7.964998      5.012323      3.517077
  C      -7.612626      3.665358      3.782374
  C      -0.903315      1.871877      3.948913
  C      -1.009686      0.386876      3.783784
  C      -2.008949     -0.307661      3.203288
  C      -3.190305      0.220609      2.516417
  N      -3.146251      1.451944      1.998610
  C      -4.237897      1.889493      1.326433
  N      -5.344471      1.222607      1.057974
  C      -5.423221     -0.039219      1.577301
  C      -6.595228     -0.800469      1.348287
  C      -6.739000     -2.040736      1.932283
  C      -5.720593     -2.567690      2.761074
  C      -4.554806     -1.860623      2.974236
  C      -4.368464     -0.588422      2.375624
  C      -3.193786     -0.012384      8.278219
  C      -4.416433      0.529920      8.956432
  C      -5.703972      0.224155      8.699115
  C      -6.175210     -0.787715      7.753109
  N      -5.359207     -1.804988      7.458400
  C      -5.823038     -2.748664      6.602081
  N      -7.005942     -2.804324      6.021422
  C      -7.856736     -1.768217      6.290410
  C      -9.126507     -1.743079      5.664038
  C      -9.986671     -0.688946      5.887887
  C      -9.613339      0.376550      6.739776
  C      -8.383359      0.375746      7.365531
  C      -7.480746     -0.698280      7.165473
  H      -3.813485      5.780079      6.390974
  H      -4.300865      5.231676      8.011282
  H      -5.349636      3.150490      6.996609
  H      -5.336275      5.134067      4.641375
  H      -6.795190      0.011389      4.395857
  H     -10.124005      2.109547      2.026474
  H     -10.704563      4.494656      1.559109
  H      -9.329364      6.331125      2.520449
  H      -7.374183      5.824020      3.943227
  H      -0.038507      2.255012      3.377864
  H      -1.793122      2.368838      3.550897
  H      -0.208511     -0.188910      4.258448
  H      -1.946063     -1.395875      3.255414
  H      -4.173452      2.912675      0.942682
  H      -7.379964     -0.359266      0.732682
  H      -7.652112     -2.616320      1.772211
  H      -5.866809     -3.534566      3.242971
  H      -3.783340     -2.279612      3.621074
  H      -2.758466     -0.837769      8.869523
  H      -3.449178     -0.442604      7.304564
  H      -4.220194      1.308095      9.701633
  H      -6.473565      0.781269      9.236510
  H      -5.126645     -3.564825      6.384276
  H      -9.386267     -2.568069      4.999182
  H     -10.960083     -0.666551      5.395632
  H     -10.301216      1.209827      6.892096
  H      -8.095381      1.217571      7.995128
  N      -3.598259      1.853130      5.754693
  H      -4.571348      1.696309      5.348101
91
Coordinates from ORCA-job orca E -6199.977050245488
  N      -2.673384      4.166299      7.137695
  Mo     -2.174560      2.317249      6.633440
  N      -2.172481      1.055262      8.133018
  C      -1.204387      1.128990      9.226189
  C      -0.595476      2.519819      9.291755
  N      -0.344420      3.003342      7.917140
  C      -0.334423      4.478468      7.816504
  C      -1.758339      4.996783      7.924970
  C       0.840828      2.368476      7.296997
  C       0.712696      2.426648      5.783834
  N      -0.669335      2.163237      5.390321
  H      -1.786295      6.038609      7.560330
  H      -2.096904      5.028557      8.978547
  H       0.073242      4.738644      6.830179
  H       0.316775      4.929041      8.585629
  H       1.388506      1.677523      5.336538
  H       1.030770      3.408880      5.384261
  H       0.848477      1.317503      7.615993
  H       1.775448      2.839698      7.646882
  H      -1.699908      0.907430     10.186366
  H      -0.429109      0.351389      9.091227
  H      -1.315200      3.206788      9.756199
  H       0.328895      2.534045      9.893183
  C      -3.958561      4.867784      6.941470
  C      -5.027967      4.013699      6.353832
  C      -5.593364      4.225846      5.153899
  C      -6.528772      3.268788      4.549564
  N      -6.277263      1.969789      4.756641
  C      -7.125390      1.061512      4.207362
  N      -8.191118      1.314272      3.478470
  C      -8.463135      2.627941      3.229113
  C      -9.588623      2.960958      2.437400
  C      -9.884492      4.282857      2.183222
  C      -9.075094      5.320653      2.706545
  C      -7.971945      5.026462      3.480510
  C      -7.638131      3.675683      3.751702
  C      -0.857164      1.822432      3.965469
  C      -1.008188      0.339963      3.819752
  C      -2.028603     -0.327595      3.245052
  C      -3.186250      0.238297      2.550707
  N      -3.087372      1.456225      2.008426
  C      -4.163683      1.935055      1.337918
  N      -5.307057      1.320657      1.098566
  C      -5.444350      0.075523      1.647101
  C      -6.658265     -0.627667      1.452886
  C      -6.856981     -1.846775      2.064440
  C      -5.854116     -2.409815      2.887890
  C      -4.649005     -1.761230      3.067910
  C      -4.405568     -0.513444      2.439490
  C      -3.177345     -0.011063      8.292821
  C      -4.417958      0.530926      8.936541
  C      -5.696084      0.208209      8.654638
  C      -6.135186     -0.820997      7.711309
  N      -5.296987     -1.826337      7.439338
  C      -5.734852     -2.793759      6.596012
  N      -6.912603     -2.885793      6.011078
  C      -7.786003     -1.863621      6.256147
  C      -9.056469     -1.883434      5.631287
  C      -9.943894     -0.848280      5.835811
  C      -9.598306      0.242126      6.666753
  C      -8.370060      0.285004      7.293338
  C      -7.438836     -0.769694      7.113672
  H      -3.789143      5.757424      6.309483
  H      -4.288559      5.238500      7.931504
  H      -5.352554      3.154968      6.949935
  H      -5.332878      5.116617      4.578103
  H      -6.874110      0.013988      4.383745
  H     -10.200907      2.147314      2.045591
  H     -10.751759      4.538567      1.572489
  H      -9.332043      6.360516      2.496507
  H      -7.361259      5.831764      3.891456
  H       0.020802      2.175435      3.393938
  H      -1.731114      2.338768      3.556054
  H      -0.228228     -0.255300      4.308793
  H      -2.007419     -1.417179      3.312708
  H      -4.053067      2.946956      0.932835
  H      -7.426726     -0.159704      0.840326
  H      -7.800166     -2.377649      1.929585
  H      -6.043654     -3.357325      3.393283
  H      -3.891662     -2.205566      3.712567
  H      -2.748307     -0.825277      8.905560
  H      -3.411927     -0.457712      7.320435
  H      -4.245744      1.318947      9.677134
  H      -6.482585      0.759274      9.171801
  H      -5.021809     -3.602800      6.401260
  H      -9.294548     -2.727024      4.983266
  H     -10.917792     -0.861351      5.344872
  H     -10.308573      1.057985      6.805820
  H      -8.108650      1.142622      7.913616
  N      -3.557017      1.804735      5.740284
  H      -4.520846      1.630627      5.317338
91
Coordinates from ORCA-job orca E -6199.977512525537
  N      -2.666940      4.195765      7.161540
  Mo     -2.196889      2.336558      6.667048
  N      -2.181079      1.081581      8.172412
  C      -1.201533      1.158951      9.255618
  C      -0.581258      2.545983      9.300757
  N      -0.343137      3.015047      7.918439
  C      -0.317078      4.489118      7.805515
  C      -1.733178      5.024190      7.928805
  C       0.826195      2.362431      7.286971
  C       0.678302      2.412044      5.775027
  N      -0.711672      2.161759      5.402894
  H      -1.754933      6.062623      7.554133
  H      -2.056976      5.069775      8.986477
  H       0.079746      4.736940      6.811903
  H       0.349750      4.937995      8.562025
  H       1.338425      1.650963      5.324331
  H       1.002373      3.387204      5.363054
  H       0.826485      1.313497      7.612728
  H       1.770254      2.826053      7.621221
  H      -1.689230      0.950578     10.223139
  H      -0.433720      0.373558      9.121262
  H      -1.290090      3.242957      9.767140
  H       0.350620      2.559028      9.891408
  C      -3.942769      4.911961      6.964926
  C      -5.019313      4.062092      6.385625
  C      -5.568695      4.260093      5.176464
  C      -6.499708      3.299153      4.574520
  N      -6.257723      2.003308      4.808668
  C      -7.104319      1.091366      4.263416
  N      -8.162069      1.337595      3.520364
  C      -8.423026      2.647711      3.243928
  C      -9.538488      2.973142      2.434773
  C      -9.819706      4.291789      2.148678
  C      -9.006791      5.333534      2.658747
  C      -7.915029      5.046558      3.451352
  C      -7.595486      3.699163      3.754436
  C      -0.921469      1.814697      3.982709
  C      -1.084976      0.332720      3.841452
  C      -2.103468     -0.331380      3.258441
  C      -3.258191      0.235430      2.558288
  N      -3.168012      1.465663      2.043712
  C      -4.238173      1.941845      1.362525
  N      -5.363181      1.312460      1.080148
  C      -5.488457      0.051454      1.593882
  C      -6.678720     -0.673548      1.343601
  C      -6.865820     -1.914203      1.914528
  C      -5.875922     -2.475747      2.755109
  C      -4.694009     -1.803451      2.991436
  C      -4.460766     -0.534632      2.401971
  C      -3.170087      0.001259      8.336225
  C      -4.420083      0.526941      8.974294
  C      -5.693942      0.191376      8.686785
  C      -6.120577     -0.838905      7.739690
  N      -5.268671     -1.829929      7.457119
  C      -5.691235     -2.792384      6.600693
  N      -6.865961     -2.892316      6.010727
  C      -7.753898     -1.885105      6.267065
  C      -9.019367     -1.910351      5.632192
  C      -9.920154     -0.888260      5.845111
  C      -9.593763      0.192100      6.696945
  C      -8.369671      0.239767      7.332119
  C      -7.423989     -0.798574      7.140929
  H      -3.764235      5.793996      6.323659
  H      -4.266893      5.294629      7.953287
  H      -5.353328      3.212513      6.988847
  H      -5.290364      5.137807      4.587015
  H      -6.862900      0.044188      4.462713
  H     -10.153204      2.157391      2.053528
  H     -10.677876      4.542249      1.522952
  H      -9.251774      6.370604      2.423579
  H      -7.301881      5.855632      3.851040
  H      -0.046818      2.157036      3.399864
  H      -1.793590      2.338756      3.579677
  H      -0.310733     -0.266087      4.332863
  H      -2.081841     -1.420944      3.320736
  H      -4.136452      2.964406      0.984423
  H      -7.440643     -0.206771      0.719247
  H      -7.791612     -2.462880      1.734799
  H      -6.058601     -3.439335      3.230984
  H      -3.945341     -2.247356      3.647966
  H      -2.729831     -0.801255      8.955780
  H      -3.394021     -0.457396      7.367673
  H      -4.260154      1.316637      9.716109
  H      -6.487648      0.736229      9.200296
  H      -4.964232     -3.584292      6.390892
  H      -9.242508     -2.747112      4.969363
  H     -10.889771     -0.903799      5.345207
  H     -10.314989      0.997252      6.844349
  H      -8.122957      1.091134      7.966841
  N      -3.597327      1.836741      5.794219
  H      -4.563100      1.672995      5.376215
91
Coordinates from ORCA-job orca E -6199.977584358233
  N      -2.670854      4.202398      7.172039
  Mo     -2.207385      2.340701      6.682953
  N      -2.179354      1.087168      8.189387
  C      -1.195918      1.168408      9.269083
  C      -0.575173      2.555698      9.305863
  N      -0.344749      3.020286      7.920459
  C      -0.316750      4.494147      7.802164
  C      -1.731313      5.033032      7.930453
  C       0.818869      2.362486      7.283717
  C       0.662342      2.409281      5.772303
  N      -0.730635      2.163637      5.409144
  H      -1.752986      6.069475      7.550389
  H      -2.049401      5.084717      8.989603
  H       0.074857      4.736711      6.805224
  H       0.355283      4.944492      8.553222
  H       1.316838      1.644940      5.318993
  H       0.987588      3.382358      5.356709
  H       0.818323      1.314363      7.612073
  H       1.766313      2.824328      7.610816
  H      -1.680792      0.964789     10.239238
  H      -0.429498      0.381439      9.135207
  H      -1.281026      3.254914      9.773497
  H       0.360225      2.570042      9.891329
  C      -3.943818      4.921166      6.969402
  C      -5.019744      4.069508      6.391236
  C      -5.553965      4.255271      5.173487
  C      -6.487868      3.295592      4.574602
  N      -6.271275      2.001463      4.841540
  C      -7.121623      1.091474      4.299575
  N      -8.159964      1.337604      3.529261
  C      -8.393841      2.645408      3.218660
  C      -9.486515      2.970956      2.378823
  C      -9.737625      4.287538      2.055444
  C      -8.918455      5.326540      2.560048
  C      -7.850076      5.039507      3.383754
  C      -7.560237      3.694743      3.723951
  C      -0.949827      1.828697      3.987309
  C      -1.127071      0.349318      3.836378
  C      -2.151177     -0.304224      3.250915
  C      -3.301236      0.272136      2.549759
  N      -3.199493      1.499274      2.029438
  C      -4.264329      1.980927      1.343790
  N      -5.393331      1.359080      1.061425
  C      -5.530767      0.102393      1.582366
  C      -6.727572     -0.612907      1.335563
  C      -6.926777     -1.847493      1.915286
  C      -5.943702     -2.412428      2.761624
  C      -4.755972     -1.749898      2.995186
  C      -4.510388     -0.487665      2.396414
  C      -3.154253     -0.006410      8.351418
  C      -4.409386      0.499167      8.994450
  C      -5.679711      0.145438      8.713544
  C      -6.100996     -0.889945      7.769880
  N      -5.242947     -1.874551      7.483109
  C      -5.661186     -2.838513      6.626106
  N      -6.836454     -2.944534      6.038005
  C      -7.729643     -1.942614      6.296805
  C      -8.992014     -1.968637      5.655650
  C      -9.896935     -0.950274      5.868900
  C      -9.578862      0.125471      6.729876
  C      -8.357319      0.174196      7.370113
  C      -7.406045     -0.857787      7.174814
  H      -3.759914      5.798402      6.322701
  H      -4.269952      5.311754      7.954310
  H      -5.364674      3.228903      7.000603
  H      -5.260316      5.122051      4.574522
  H      -6.901766      0.044847      4.527162
  H     -10.106725      2.157307      2.002453
  H     -10.576603      4.538065      1.404302
  H      -9.139305      6.361592      2.294869
  H      -7.231754      5.846931      3.778344
  H      -0.074603      2.167243      3.403242
  H      -1.817562      2.364344      3.590638
  H      -0.358968     -0.257842      4.326669
  H      -2.140379     -1.393560      3.314352
  H      -4.153250      3.000353      0.960462
  H      -7.485116     -0.142778      0.708019
  H      -7.857491     -2.388596      1.738287
  H      -6.136654     -3.370086      3.245258
  H      -4.013298     -2.194935      3.657862
  H      -2.702315     -0.803154      8.970187
  H      -3.373038     -0.468320      7.383049
  H      -4.257954      1.289966      9.736876
  H      -6.476950      0.680966      9.231147
  H      -4.929859     -3.625027      6.412619
  H      -9.209767     -2.803368      4.988446
  H     -10.863562     -0.965464      5.363162
  H     -10.303656      0.927018      6.878741
  H      -8.117495      1.022372      8.011848
  N      -3.614024      1.843847      5.817494
  H      -4.581325      1.684327      5.402173
91
Coordinates from ORCA-job orca E -6199.977663035074
  N      -2.667273      4.218559      7.174826
  Mo     -2.220989      2.346872      6.709336
  N      -2.180114      1.107129      8.227460
  C      -1.192288      1.201035      9.301842
  C      -0.566695      2.586519      9.314017
  N      -0.344353      3.030916      7.920849
  C      -0.307210      4.503070      7.783316
  C      -1.716874      5.053367      7.915073
  C       0.808866      2.357236      7.282054
  C       0.639773      2.387261      5.771378
  N      -0.757636      2.148281      5.423211
  H      -1.734187      6.084205      7.520090
  H      -2.026920      5.122478      8.975407
  H       0.078051      4.730007      6.780536
  H       0.373817      4.958212      8.523109
  H       1.284017      1.612096      5.321847
  H       0.968776      3.352521      5.341170
  H       0.804502      1.313226      7.622656
  H       1.761769      2.817008      7.595344
  H      -1.674029      1.014832     10.277074
  H      -0.429896      0.408638      9.177602
  H      -1.267114      3.294788      9.775944
  H       0.372314      2.606463      9.892810
  C      -3.932118      4.947096      6.958737
  C      -5.013468      4.100418      6.382429
  C      -5.538316      4.280922      5.159519
  C      -6.485366      3.331034      4.564830
  N      -6.296820      2.036191      4.848740
  C      -7.165965      1.138279      4.315815
  N      -8.196966      1.397019      3.539656
  C      -8.397963      2.704588      3.206734
  C      -9.478656      3.041791      2.356233
  C      -9.697589      4.357873      2.010761
  C      -8.855938      5.385839      2.501980
  C      -7.798572      5.087792      3.335951
  C      -7.542806      3.741788      3.700544
  C      -0.992123      1.804237      4.006180
  C      -1.191006      0.326923      3.865364
  C      -2.222113     -0.317782      3.282485
  C      -3.364972      0.267512      2.577736
  N      -3.254386      1.495751      2.062307
  C      -4.313978      1.985624      1.374202
  N      -5.445076      1.370570      1.084482
  C      -5.591213      0.112598      1.599922
  C      -6.789501     -0.596604      1.343412
  C      -6.995875     -1.833630      1.915472
  C      -6.019942     -2.405706      2.765473
  C      -4.831442     -1.748188      3.009498
  C      -4.577578     -0.485217      2.416759
  C      -3.135757     -0.002870      8.391922
  C      -4.405035      0.479834      9.024339
  C      -5.665914      0.101769      8.732173
  C      -6.058748     -0.940269      7.784277
  N      -5.179658     -1.908793      7.506439
  C      -5.567424     -2.876286      6.639718
  N      -6.730054     -2.997622      6.029554
  C      -7.643519     -2.011125      6.276466
  C      -8.890204     -2.050840      5.605933
  C      -9.815568     -1.048595      5.807042
  C      -9.535222      0.021831      6.687606
  C      -8.329185      0.083888      7.355472
  C      -7.355525     -0.928392      7.169489
  H      -3.736624      5.815881      6.303780
  H      -4.258975      5.350963      7.938153
  H      -5.370786      3.270098      6.998338
  H      -5.229646      5.138361      4.554341
  H      -6.969907      0.089642      4.556895
  H     -10.115966      2.236815      1.990492
  H     -10.527439      4.617151      1.351433
  H      -9.050893      6.420914      2.218660
  H      -7.162998      5.887225      3.719972
  H      -0.116386      2.125430      3.413526
  H      -1.853882      2.350207      3.610388
  H      -0.430735     -0.286964      4.359577
  H      -2.224271     -1.406653      3.352617
  H      -4.196165      3.006029      0.995999
  H      -7.542200     -0.120529      0.713873
  H      -7.927231     -2.370882      1.729706
  H      -6.219261     -3.364076      3.245302
  H      -4.095262     -2.197812      3.676508
  H      -2.672209     -0.785915      9.019340
  H      -3.339949     -0.477224      7.426882
  H      -4.275470      1.274938      9.766371
  H      -6.477821      0.624429      9.240426
  H      -4.820901     -3.651446      6.437453
  H      -9.079689     -2.883675      4.927171
  H     -10.769199     -1.072887      5.277561
  H     -10.276212      0.810594      6.828151
  H      -8.120668      0.928269      8.012557
  N      -3.636786      1.848649      5.859413
  H      -4.603084      1.690452      5.444080
91
Coordinates from ORCA-job orca E -6199.977676716710
  N      -2.655585      4.229390      7.165026
  Mo     -2.224012      2.349842      6.717181
  N      -2.185731      1.119879      8.244106
  C      -1.199718      1.220356      9.318417
  C      -0.566035      2.601792      9.315887
  N      -0.341573      3.030972      7.918828
  C      -0.292499      4.501234      7.768770
  C      -1.697747      5.063678      7.896837
  C       0.806072      2.342836      7.284535
  C       0.635342      2.362200      5.773665
  N      -0.765067      2.134289      5.428494
  H      -1.707460      6.090680      7.491946
  H      -2.007193      5.144958      8.956383
  H       0.094501      4.717182      6.764037
  H       0.392743      4.956806      8.504654
  H       1.271197      1.576752      5.330052
  H       0.973636      3.320848      5.335668
  H       0.794108      1.301605      7.633393
  H       1.762441      2.798471      7.593670
  H      -1.683639      1.048464     10.295317
  H      -0.441884      0.422012      9.204787
  H      -1.262761      3.318526      9.770675
  H       0.372981      2.622777      9.894572
  C      -3.912059      4.970653      6.937263
  C      -5.005691      4.134009      6.370461
  C      -5.525365      4.304515      5.143955
  C      -6.481930      3.356395      4.562762
  N      -6.312984      2.065249      4.874347
  C      -7.196619      1.169432      4.360898
  N      -8.221277      1.426383      3.576046
  C      -8.399535      2.729869      3.211962
  C      -9.469885      3.064229      2.347640
  C      -9.667048      4.375732      1.971598
  C      -8.812714      5.401206      2.444712
  C      -7.764209      5.105440      3.290687
  C      -7.529954      3.764527      3.685486
  C      -1.005493      1.788484      4.013158
  C      -1.216304      0.313231      3.873624
  C      -2.253867     -0.320564      3.290778
  C      -3.393991      0.282237      2.597346
  N      -3.275420      1.518973      2.104019
  C      -4.335524      2.031745      1.432982
  N      -5.474900      1.432640      1.141284
  C      -5.628309      0.165652      1.632323
  C      -6.832585     -0.529561      1.367062
  C      -7.042397     -1.779429      1.909548
  C      -6.065480     -2.376588      2.740293
  C      -4.872301     -1.730990      2.994528
  C      -4.613773     -0.457288      2.429334
  C      -3.135796      0.005660      8.410221
  C      -4.414763      0.486911      9.022928
  C      -5.668522      0.094992      8.720052
  C      -6.040335     -0.963414      7.782376
  N      -5.147347     -1.925385      7.527733
  C      -5.518500     -2.916654      6.681341
  N      -6.676971     -3.066070      6.068852
  C      -7.603296     -2.085283      6.288968
  C      -8.848088     -2.157471      5.616971
  C      -9.788216     -1.164309      5.793355
  C      -9.525809     -0.072075      6.652141
  C      -8.323842      0.020384      7.323764
  C      -7.334338     -0.981119      7.161311
  H      -3.705139      5.827866      6.271393
  H      -4.234620      5.391329      7.910304
  H      -5.378571      3.319102      6.997689
  H      -5.205122      5.148572      4.527564
  H      -7.016430      0.124262      4.624092
  H     -10.117729      2.260263      1.996927
  H     -10.489675      4.632457      1.302301
  H      -8.990132      6.432865      2.137123
  H      -7.118534      5.903369      3.660005
  H      -0.129185      2.102835      3.416963
  H      -1.864987      2.340211      3.618750
  H      -0.459023     -0.308497      4.363855
  H      -2.263293     -1.410070      3.352089
  H      -4.211599      3.058654      1.073706
  H      -7.584710     -0.034452      0.752965
  H      -7.977146     -2.307436      1.715858
  H      -6.266377     -3.345419      3.198399
  H      -4.136945     -2.199638      3.648422
  H      -2.674519     -0.768702      9.050916
  H      -3.328602     -0.480997      7.448112
  H      -4.299944      1.290871      9.757732
  H      -6.490177      0.615316      9.214186
  H      -4.762701     -3.688651      6.501526
  H      -9.025314     -3.008498      4.958529
  H     -10.740391     -1.213875      5.263129
  H     -10.278224      0.708097      6.774915
  H      -8.133381      0.879092      7.967670
  N      -3.642667      1.851250      5.871400
  H      -4.607412      1.693884      5.454036
91
Coordinates from ORCA-job orca E -6199.977734042405
  N      -2.664357      4.233987      7.180509
  Mo     -2.235782      2.354035      6.732512
  N      -2.181121      1.122391      8.256842
  C      -1.190242      1.225912      9.326364
  C      -0.559441      2.608734      9.319300
  N      -0.345211      3.037858      7.920328
  C      -0.297854      4.507979      7.769980
  C      -1.702782      5.069276      7.906546
  C       0.797659      2.349137      7.278331
  C       0.616813      2.367425      5.768682
  N      -0.786364      2.140327      5.432872
  H      -1.715777      6.096075      7.501125
  H      -2.005549      5.151070      8.968051
  H       0.082460      4.723841      6.762545
  H       0.391691      4.963991      8.501620
  H       1.249340      1.581069      5.321679
  H       0.953268      3.325335      5.327365
  H       0.787113      1.308073      7.628086
  H       1.756996      2.803654      7.580353
  H      -1.669613      1.054070     10.305713
  H      -0.431643      0.428641      9.209398
  H      -1.254286      3.324559      9.778577
  H       0.383859      2.631287      9.891773
  C      -3.919370      4.977688      6.952688
  C      -5.013367      4.143907      6.382776
  C      -5.520770      4.313097      5.151272
  C      -6.474972      3.368281      4.562797
  N      -6.319568      2.077770      4.885392
  C      -7.202031      1.185213      4.365417
  N      -8.214400      1.444848      3.564984
  C      -8.376287      2.746624      3.187303
  C      -9.427764      3.082823      2.300416
  C      -9.605276      4.392928      1.908151
  C      -8.751359      5.414662      2.388741
  C      -7.721654      5.116958      3.256662
  C      -7.505570      3.777970      3.666230
  C      -1.035204      1.794736      4.018888
  C      -1.258200      0.320403      3.888206
  C      -2.298889     -0.310915      3.308088
  C      -3.429415      0.289789      2.596726
  N      -3.296236      1.515235      2.078746
  C      -4.343852      2.019885      1.382791
  N      -5.481444      1.420608      1.085923
  C      -5.649744      0.165559      1.602029
  C      -6.854380     -0.528347      1.334355
  C      -7.082499     -1.761880      1.905829
  C      -6.124307     -2.344098      2.768252
  C      -4.929786     -1.701868      3.023640
  C      -4.652396     -0.444572      2.429656
  C      -3.119030     -0.002248      8.420000
  C      -4.400702      0.461680      9.039678
  C      -5.650969      0.057763      8.739395
  C      -6.015397     -0.993267      7.790348
  N      -5.111918     -1.938998      7.513333
  C      -5.476277     -2.919150      6.650358
  N      -6.634852     -3.068737      6.038099
  C      -7.572785     -2.105168      6.284535
  C      -8.821550     -2.179433      5.620069
  C      -9.775230     -1.205224      5.827684
  C      -9.522374     -0.129868      6.710287
  C      -8.316040     -0.034891      7.373829
  C      -7.313390     -1.017422      7.179582
  H      -3.708495      5.834982      6.287967
  H      -4.243050      5.398821      7.925252
  H      -5.395711      3.332603      7.009406
  H      -5.190210      5.154006      4.536038
  H      -7.033336      0.140326      4.638069
  H     -10.075918      2.281862      1.943513
  H     -10.412408      4.651200      1.220793
  H      -8.913692      6.445172      2.068774
  H      -7.076090      5.912231      3.630644
  H      -0.158159      2.099333      3.418479
  H      -1.891321      2.352293      3.625023
  H      -0.508231     -0.302752      4.387270
  H      -2.316788     -1.399392      3.382394
  H      -4.208669      3.038223      1.003428
  H      -7.593095     -0.043896      0.695848
  H      -8.018100     -2.288011      1.710282
  H      -6.339822     -3.298788      3.248628
  H      -4.208489     -2.159434      3.700548
  H      -2.647828     -0.774946      9.055477
  H      -3.308859     -0.486447      7.455599
  H      -4.291705      1.260108      9.781320
  H      -6.476179      0.562112      9.244261
  H      -4.712536     -3.678322      6.451953
  H      -8.991820     -3.017554      4.943721
  H     -10.730891     -1.256994      5.304183
  H     -10.285443      0.635052      6.857673
  H      -8.132149      0.812054      8.035492
  N      -3.660418      1.855956      5.895724
  H      -4.626385      1.701087      5.482099
91
Coordinates from ORCA-job orca E -6199.977745478292
  N      -2.661524      4.230746      7.174548
  Mo     -2.232499      2.349783      6.732812
  N      -2.179687      1.121829      8.260886
  C      -1.190539      1.227631      9.331744
  C      -0.558458      2.609920      9.321929
  N      -0.343522      3.037159      7.922203
  C      -0.296806      4.507141      7.769473
  C      -1.702257      5.068054      7.901789
  C       0.800311      2.347297      7.282294
  C       0.620721      2.361832      5.772342
  N      -0.781817      2.133497      5.435367
  H      -1.715135      6.094244      7.494944
  H      -2.007708      5.151082      8.962363
  H       0.085514      4.720981      6.762472
  H       0.390984      4.964723      8.501663
  H       1.253915      1.574925      5.327356
  H       0.957472      3.318833      5.330046
  H       0.790292      1.307277      7.634985
  H       1.759239      2.802895      7.583462
  H      -1.671681      1.058793     10.310689
  H      -0.432477      0.429332      9.217634
  H      -1.252389      3.327466      9.779727
  H       0.384796      2.632131      9.894462
  C      -3.918274      4.971006      6.945974
  C      -5.008790      4.132424      6.376171
  C      -5.523646      4.302186      5.147152
  C      -6.477587      3.354308      4.561249
  N      -6.309523      2.062166      4.871016
  C      -7.188564      1.166954      4.349647
  N      -8.210045      1.424914      3.561215
  C      -8.386803      2.728584      3.197848
  C      -9.450424      3.062853      2.325599
  C      -9.643340      4.374569      1.945883
  C      -8.793275      5.399712      2.426465
  C      -7.752419      5.103868      3.281928
  C      -7.520639      3.763159      3.677957
  C      -1.028459      1.787067      4.020730
  C      -1.250799      0.313124      3.886440
  C      -2.291148     -0.316056      3.303630
  C      -3.416423      0.287173      2.586576
  N      -3.273226      1.507361      2.058521
  C      -4.315689      2.012369      1.355171
  N      -5.456325      1.417930      1.060506
  C      -5.634894      0.169491      1.587680
  C      -6.844594     -0.517757      1.324945
  C      -7.083602     -1.742798      1.909602
  C      -6.131511     -2.323391      2.779421
  C      -4.932086     -1.688289      3.029828
  C      -4.644057     -0.439591      2.423536
  C      -3.119604     -0.001422      8.429099
  C      -4.402435      0.466179      9.045559
  C      -5.654092      0.063794      8.744711
  C      -6.021203     -0.989732      7.798996
  N      -5.123535     -1.944838      7.534353
  C      -5.488053     -2.924685      6.671571
  N      -6.641887     -3.065964      6.048106
  C      -7.573578     -2.093018      6.281060
  C      -8.813879     -2.155887      5.599725
  C      -9.759660     -1.171082      5.791353
  C      -9.507099     -0.095291      6.673631
  C      -8.308791     -0.010798      7.352719
  C      -7.313661     -1.004487      7.174778
  H      -3.710253      5.828932      6.280760
  H      -4.242699      5.391085      7.918878
  H      -5.384242      3.317554      7.001138
  H      -5.203664      5.149242      4.534027
  H      -7.010265      0.121209      4.611312
  H     -10.095374      2.258494      1.969783
  H     -10.459809      4.630902      1.269031
  H      -8.967932      6.430856      2.117404
  H      -7.111145      5.901469      3.657586
  H      -0.150871      2.092992      3.422667
  H      -1.884598      2.343970      3.626155
  H      -0.502807     -0.310985      4.387274
  H      -2.312482     -1.404344      3.379748
  H      -4.172922      3.026074      0.966454
  H      -7.578547     -0.033604      0.680209
  H      -8.023410     -2.263550      1.718799
  H      -6.354521     -3.271314      3.269389
  H      -4.215791     -2.144806      3.712767
  H      -2.649524     -0.770750      9.069038
  H      -3.308071     -0.490611      7.467849
  H      -4.293004      1.268300      9.783156
  H      -6.478615      0.575478      9.243779
  H      -4.729122     -3.691005      6.483686
  H      -8.984487     -2.994673      4.923686
  H     -10.708708     -1.214415      5.255387
  H     -10.263549      0.679014      6.807611
  H      -8.124663      0.836641      8.012612
  N      -3.655774      1.849855      5.894525
  H      -4.622145      1.696271      5.481310
91
Coordinates from ORCA-job orca E -6199.977746727538
  N      -2.656663      4.240681      7.175294
  Mo     -2.236215      2.357513      6.734951
  N      -2.183204      1.127741      8.261787
  C      -1.193308      1.232286      9.332187
  C      -0.557504      2.613087      9.321139
  N      -0.343519      3.039342      7.921324
  C      -0.291112      4.509137      7.768418
  C      -1.694272      5.075351      7.901474
  C       0.796630      2.345699      7.279050
  C       0.614443      2.361358      5.769383
  N      -0.788999      2.137115      5.434288
  H      -1.703807      6.101185      7.493757
  H      -1.999420      5.160092      8.961908
  H       0.091738      4.722377      6.761625
  H       0.398801      4.964105      8.500237
  H       1.244348      1.572558      5.323291
  H       0.952843      3.317568      5.326602
  H       0.784004      1.305652      7.631415
  H       1.757034      2.798799      7.578924
  H      -1.673997      1.065449     10.311675
  H      -0.437110      0.432132      9.219064
  H      -1.248846      3.332226      9.780292
  H       0.386364      2.633388      9.892165
  C      -3.908943      4.986197      6.941121
  C      -5.001936      4.149595      6.372675
  C      -5.508880      4.311358      5.139240
  C      -6.472240      3.369254      4.559260
  N      -6.327803      2.079311      4.888964
  C      -7.218447      1.191366      4.373876
  N      -8.229327      1.454323      3.573541
  C      -8.380211      2.755032      3.188333
  C      -9.430510      3.093621      2.301753
  C      -9.599021      4.402156      1.901664
  C      -8.736183      5.420525      2.374421
  C      -7.707254      5.120483      3.242797
  C      -7.501373      3.782093      3.661244
  C      -1.039211      1.789475      4.020908
  C      -1.265702      0.316040      3.886410
  C      -2.309645     -0.309876      3.305811
  C      -3.438541      0.297910      2.598329
  N      -3.299939      1.523069      2.081276
  C      -4.347752      2.034995      1.390993
  N      -5.490435      1.442994      1.098184
  C      -5.664140      0.188695      1.613344
  C      -6.874025     -0.497708      1.350057
  C      -7.107559     -1.729931      1.922189
  C      -6.149369     -2.317956      2.780491
  C      -4.949668     -1.683047      3.030886
  C      -4.666927     -0.427936      2.436346
  C      -3.119636      0.001235      8.427587
  C      -4.406766      0.464084      9.038808
  C      -5.655400      0.052615      8.737516
  C      -6.013459     -1.010238      7.798716
  N      -5.106120     -1.957469      7.538742
  C      -5.460331     -2.945824      6.681642
  N      -6.613330     -3.103822      6.060726
  C      -7.556036     -2.140746      6.290431
  C      -8.797408     -2.223554      5.613263
  C      -9.756039     -1.250952      5.803890
  C      -9.514461     -0.166878      6.679090
  C      -8.314661     -0.062376      7.352821
  C      -7.306989     -1.043512      7.176878
  H      -3.695727      5.839521      6.271703
  H      -4.233268      5.412046      7.911613
  H      -5.386240      3.343433      7.003354
  H      -5.176568      5.148359      4.518735
  H      -7.059538      0.146518      4.652443
  H     -10.084944      2.294989      1.951539
  H     -10.405198      4.661280      1.213602
  H      -8.891175      6.449808      2.048856
  H      -7.055586      5.913629      3.611492
  H      -0.161927      2.092984      3.421221
  H      -1.894680      2.348099      3.628004
  H      -0.517741     -0.311112      4.383224
  H      -2.332617     -1.398369      3.379163
  H      -4.208575      3.052966      1.012993
  H      -7.612385     -0.007647      0.714728
  H      -8.047463     -2.250011      1.730896
  H      -6.366879     -3.271595      3.262072
  H      -4.228637     -2.146041      3.705028
  H      -2.648641     -0.765341      9.069827
  H      -3.302528     -0.490048      7.466596
  H      -4.303536      1.269773      9.773342
  H      -6.483953      0.561178      9.232843
  H      -4.693513     -3.705618      6.498268
  H      -8.959445     -3.068501      4.942635
  H     -10.707423     -1.311142      5.273408
  H     -10.280973      0.598029      6.812346
  H      -8.140149      0.791071      8.007529
  N      -3.661572      1.862140      5.897755
  H      -4.627542      1.712114      5.481879
91
Coordinates from ORCA-job orca E -6199.977747518228
  N      -2.655881      4.239330      7.172735
  Mo     -2.233891      2.357856      6.725718
  N      -2.187552      1.123418      8.249552
  C      -1.198950      1.222174      9.321422
  C      -0.561973      2.602317      9.318092
  N      -0.344547      3.035028      7.920908
  C      -0.292102      4.505317      7.775154
  C      -1.695878      5.070517      7.906237
  C       0.798242      2.344978      7.278856
  C       0.619892      2.366203      5.768813
  N      -0.782589      2.141564      5.428742
  H      -1.704447      6.098400      7.503717
  H      -2.005010      5.149530      8.965992
  H       0.094472      4.723498      6.770674
  H       0.395220      4.956949      8.511622
  H       1.251802      1.579655      5.321594
  H       0.958818      3.324534      5.330944
  H       0.785863      1.303578      7.627376
  H       1.757398      2.798106      7.583032
  H      -1.680613      1.050668     10.299610
  H      -0.442859      0.422375      9.204913
  H      -1.253753      3.319917      9.779251
  H       0.380813      2.619042      9.891282
  C      -3.908533      4.986449      6.941291
  C      -5.003733      4.153650      6.372336
  C      -5.515359      4.320544      5.141642
  C      -6.472810      3.373663      4.560557
  N      -6.313325      2.083649      4.882146
  C      -7.197267      1.189003      4.367207
  N      -8.213609      1.445158      3.571835
  C      -8.381817      2.747399      3.196951
  C      -9.440279      3.080030      2.317946
  C      -9.626264      4.389816      1.928233
  C      -8.773527      5.414520      2.404687
  C      -7.736586      5.119899      3.265452
  C      -7.512041      3.781249      3.671839
  C      -1.026665      1.791112      4.014849
  C      -1.238399      0.315630      3.879453
  C      -2.277881     -0.318242      3.299761
  C      -3.412905      0.283315      2.596949
  N      -3.281925      1.509782      2.080597
  C      -4.335464      2.018107      1.396155
  N      -5.477538      1.421823      1.109619
  C      -5.643371      0.166202      1.624092
  C      -6.851843     -0.524815      1.366646
  C      -7.076527     -1.759526      1.936982
  C      -6.110548     -2.345402      2.787539
  C      -4.912313     -1.705452      3.032777
  C      -4.638718     -0.447809      2.440032
  C      -3.128610      0.000498      8.413065
  C      -4.411956      0.468589      9.027800
  C      -5.662862      0.065470      8.726168
  C      -6.027227     -0.989107      7.780858
  N      -5.122706     -1.935871      7.509855
  C      -5.483577     -2.918910      6.649608
  N      -6.641151     -3.072142      6.035589
  C      -7.580614     -2.108417      6.275780
  C      -8.827785     -2.186965      5.608657
  C      -9.783161     -1.213358      5.810032
  C      -9.532806     -0.132551      6.686823
  C      -8.328098     -0.032989      7.352417
  C      -7.323944     -1.016092      7.165847
  H      -3.695652      5.841183      6.273931
  H      -4.231258      5.409932      7.913033
  H      -5.385860      3.343896      7.000098
  H      -5.188860      5.161565      4.524054
  H      -7.024935      0.144874      4.638461
  H     -10.087167      2.275715      1.965555
  H     -10.439128      4.644253      1.246326
  H      -8.942239      6.444421      2.087623
  H      -7.092692      5.917612      3.637111
  H      -0.151085      2.103735      3.417074
  H      -1.887632      2.340905      3.620735
  H      -0.483491     -0.305615      4.373736
  H      -2.290915     -1.407198      3.369657
  H      -4.202708      3.037192      1.018166
  H      -7.595472     -0.036374      0.736901
  H      -8.015177     -2.283385      1.750579
  H      -6.319984     -3.301968      3.267061
  H      -4.185584     -2.167111      3.701259
  H      -2.660415     -0.771259      9.051604
  H      -3.316380     -0.486315      7.450021
  H      -4.302876      1.269718      9.766443
  H      -6.487832      0.574728      9.226523
  H      -4.718612     -3.678325      6.456609
  H      -8.997012     -3.029090      4.936715
  H     -10.738947     -1.270162      5.287250
  H     -10.296616      0.633018      6.828694
  H      -8.147134      0.817249      8.009764
  N      -3.656201      1.862836      5.882977
  H      -4.622740      1.713059      5.467291
91
Coordinates from ORCA-job orca E -6199.977711191597
  N      -2.661527      4.230876      7.177561
  Mo     -2.237173      2.345580      6.749280
  N      -2.174543      1.126400      8.283242
  C      -1.183098      1.241348      9.350864
  C      -0.551687      2.623588      9.328209
  N      -0.342332      3.039850      7.924088
  C      -0.293679      4.508458      7.761335
  C      -1.698197      5.071656      7.895356
  C       0.796746      2.342533      7.284294
  C       0.610842      2.347466      5.775257
  N      -0.794160      2.121239      5.445338
  H      -1.711642      6.095055      7.481435
  H      -1.998788      5.162595      8.956768
  H       0.085063      4.714928      6.751219
  H       0.397380      4.969835      8.488080
  H       1.240429      1.555958      5.332989
  H       0.948726      3.300746      5.324984
  H       0.784632      1.304981      7.644388
  H       1.758944      2.796469      7.578173
  H      -1.662241      1.080260     10.332127
  H      -0.424869      0.442604      9.241243
  H      -1.243664      3.344930      9.783204
  H       0.394117      2.650082      9.896605
  C      -3.914404      4.976841      6.942146
  C      -5.010336      4.143179      6.376448
  C      -5.517785      4.306553      5.143839
  C      -6.470915      3.357903      4.559955
  N      -6.311154      2.068642      4.886484
  C      -7.193524      1.171627      4.374802
  N      -8.210956      1.426351      3.579174
  C      -8.376698      2.725848      3.195514
  C      -9.431673      3.055174      2.310524
  C      -9.612787      4.363157      1.911376
  C      -8.759569      5.388724      2.384198
  C      -7.726389      5.097451      3.250324
  C      -7.505621      3.761277      3.665342
  C      -1.049382      1.775835      4.032328
  C      -1.293487      0.304399      3.906494
  C      -2.339182     -0.312459      3.320122
  C      -3.449294      0.302899      2.590155
  N      -3.285858      1.520762      2.061877
  C      -4.313325      2.035776      1.343745
  N      -5.455405      1.452295      1.033544
  C      -5.654823      0.206858      1.561163
  C      -6.867093     -0.469328      1.281602
  C      -7.127797     -1.690059      1.865829
  C      -6.195970     -2.277575      2.752726
  C      -4.993788     -1.654366      3.019529
  C      -4.682848     -0.410488      2.413065
  C      -3.110149      0.000742      8.454215
  C      -4.397372      0.466970      9.060153
  C      -5.644358      0.056449      8.754119
  C      -5.998228     -1.002124      7.809135
  N      -5.091397     -1.949282      7.548183
  C      -5.445083     -2.933076      6.684598
  N      -6.595072     -3.084381      6.057230
  C      -7.536727     -2.121003      6.289324
  C      -8.777708     -2.198680      5.611060
  C      -9.735729     -1.226238      5.806216
  C      -9.494478     -0.147658      6.688030
  C      -8.295457     -0.048135      7.363748
  C      -7.289128     -1.030346      7.183734
  H      -3.699324      5.829377      6.272689
  H      -4.237865      5.405484      7.911304
  H      -5.396042      3.336567      7.007306
  H      -5.187670      5.145207      4.525733
  H      -7.021614      0.128345      4.650610
  H     -10.079479      2.250638      1.960351
  H     -10.422682      4.616025      1.225301
  H      -8.925439      6.417425      2.059996
  H      -7.082209      5.895942      3.618994
  H      -0.169445      2.067265      3.429753
  H      -1.898905      2.343703      3.638427
  H      -0.556774     -0.327663      4.414209
  H      -2.375766     -1.400320      3.398665
  H      -4.155163      3.048066      0.956390
  H      -7.585215      0.019611      0.623514
  H      -8.069554     -2.201859      1.661187
  H      -6.436322     -3.220719      3.243796
  H      -4.292790     -2.116686      3.713960
  H      -2.640332     -0.763404      9.101061
  H      -3.292064     -0.494757      7.493793
  H      -4.295870      1.273479      9.794078
  H      -6.474712      0.564177      9.246965
  H      -4.678364     -3.692356      6.498486
  H      -8.939291     -3.038494      4.934821
  H     -10.685841     -1.282045      5.273435
  H     -10.260662      0.615721      6.825123
  H      -8.119308      0.802092      8.023314
  N      -3.664077      1.839024      5.920695
  H      -4.631417      1.684155      5.509519
91
Coordinates from ORCA-job orca E -6199.977760946143
  N      -2.661947      4.232129      7.177336
  Mo     -2.234882      2.350957      6.734605
  N      -2.178968      1.120126      8.260468
  C      -1.188501      1.224946      9.330330
  C      -0.556718      2.607458      9.322167
  N      -0.344517      3.037531      7.923013
  C      -0.297569      4.507763      7.773467
  C      -1.703101      5.068304      7.906522
  C       0.798038      2.348799      7.279646
  C       0.615902      2.366261      5.770151
  N      -0.786764      2.137043      5.434256
  H      -1.716194      6.095216      7.501562
  H      -2.009113      5.149186      8.967086
  H       0.085254      4.724201      6.767225
  H       0.389946      4.963739      8.506909
  H       1.249338      1.581048      5.322588
  H       0.950834      3.324717      5.329451
  H       0.788702      1.308229      7.630734
  H       1.757458      2.803983      7.579866
  H      -1.668256      1.054274     10.309582
  H      -0.429998      0.427389      9.214158
  H      -1.249485      3.324075      9.783194
  H       0.387699      2.628510      9.892605
  C      -3.916539      4.974946      6.944201
  C      -5.007745      4.137607      6.373735
  C      -5.516511      4.302543      5.141522
  C      -6.474164      3.357091      4.557905
  N      -6.318381      2.066424      4.879756
  C      -7.201877      1.173567      4.361734
  N      -8.216265      1.432657      3.564441
  C      -8.379702      2.734406      3.187750
  C      -9.434130      3.069149      2.304576
  C      -9.614445      4.378902      1.912463
  C      -8.760049      5.401650      2.390465
  C      -7.727178      5.105194      3.255404
  C      -7.508631      3.766313      3.664776
  C      -1.034687      1.792132      4.019648
  C      -1.256362      0.318190      3.882394
  C      -2.297659     -0.308995      3.298684
  C      -3.425175      0.297303      2.587721
  N      -3.285405      1.521818      2.068883
  C      -4.330799      2.031163      1.373066
  N      -5.471415      1.437316      1.076627
  C      -5.646573      0.184366      1.594285
  C      -6.855408     -0.503269      1.328626
  C      -7.091016     -1.733504      1.903792
  C      -6.135948     -2.319051      2.767042
  C      -4.937112     -1.683481      3.019734
  C      -4.652351     -0.429694      2.422662
  C      -3.118083     -0.003738      8.428646
  C      -4.400753      0.463693      9.045141
  C      -5.652170      0.059008      8.747212
  C      -6.018525     -0.997186      7.804252
  N      -5.117876     -1.948886      7.537522
  C      -5.480786     -2.930334      6.675834
  N      -6.636187     -3.077265      6.056751
  C      -7.572280     -2.109667      6.294566
  C      -8.816795     -2.181247      5.622027
  C      -9.768289     -1.203299      5.820756
  C      -9.516516     -0.124734      6.699882
  C      -8.313704     -0.031296      7.369735
  C      -7.313595     -1.018913      7.185946
  H      -3.704771      5.830647      6.277431
  H      -4.242178      5.397948      7.915409
  H      -5.389834      3.327924      7.001713
  H      -5.188434      5.143606      4.524494
  H      -7.033239      0.128728      4.633918
  H     -10.082077      2.266708      1.950375
  H     -10.423897      4.635248      1.227218
  H      -8.924624      6.431591      2.071543
  H      -7.082094      5.901418      3.628236
  H      -0.157968      2.100015      3.421291
  H      -1.892052      2.348670      3.627559
  H      -0.507335     -0.307500      4.379561
  H      -2.318439     -1.397717      3.369597
  H      -4.191086      3.048514      0.993048
  H      -7.591256     -0.015319      0.688973
  H      -8.030249     -2.254306      1.710797
  H      -6.354783     -3.271325      3.250610
  H      -4.218311     -2.144863      3.696998
  H      -2.647239     -0.772806      9.068201
  H      -3.306297     -0.492937      7.467227
  H      -4.291011      1.267361      9.780973
  H      -6.476544      0.570228      9.246796
  H      -4.718701     -3.693230      6.485706
  H      -8.986721     -3.021347      4.947486
  H     -10.721745     -1.254715      5.293284
  H     -10.277508      0.644230      6.839336
  H      -8.129943      0.818320      8.027149
  N      -3.658191      1.850734      5.896702
  H      -4.625418      1.699366      5.482856
91
Coordinates from ORCA-job orca E -6199.977751546051
  N      -2.652053      4.244878      7.173498
  Mo     -2.236526      2.360056      6.735053
  N      -2.186533      1.130091      8.262266
  C      -1.197105      1.232912      9.333109
  C      -0.558244      2.612261      9.322231
  N      -0.342951      3.038269      7.922466
  C      -0.286726      4.507849      7.770315
  C      -1.688829      5.077015      7.901652
  C       0.795816      2.341976      7.280306
  C       0.613989      2.357962      5.770621
  N      -0.789840      2.136234      5.434715
  H      -1.695802      6.103153      7.494704
  H      -1.995394      5.161390      8.961717
  H       0.098353      4.720715      6.764192
  H       0.403088      4.960730      8.503567
  H       1.242675      1.567966      5.324883
  H       0.954554      3.313632      5.328168
  H       0.780881      1.302061      7.633058
  H       1.757324      2.792934      7.580142
  H      -1.678543      1.066949     10.312368
  H      -0.442204      0.431505      9.220159
  H      -1.247790      3.333220      9.781392
  H       0.385741      2.630090      9.893277
  C      -3.902125      4.994495      6.938143
  C      -4.998227      4.161154      6.371847
  C      -5.507337      4.322643      5.139349
  C      -6.467489      3.376274      4.561754
  N      -6.314257      2.087294      4.890822
  C      -7.202417      1.194072      4.380695
  N      -8.218412      1.451157      3.585022
  C      -8.378603      2.751227      3.200517
  C      -9.435108      3.083664      2.319135
  C      -9.613218      4.391450      1.919855
  C      -8.754198      5.414579      2.388674
  C      -7.719288      5.120331      3.251993
  C      -7.503096      3.783312      3.668662
  C      -1.039513      1.784664      4.022259
  C      -1.266148      0.310869      3.892291
  C      -2.309952     -0.315809      3.312338
  C      -3.436757      0.291317      2.601156
  N      -3.293263      1.512342      2.075364
  C      -4.338673      2.022750      1.380135
  N      -5.482880      1.432235      1.090139
  C      -5.661436      0.182281      1.614061
  C      -6.872909     -0.502507      1.353853
  C      -7.111072     -1.729911      1.934329
  C      -6.156144     -2.314444      2.798344
  C      -4.954871     -1.681263      3.046038
  C      -4.667280     -0.431532      2.442883
  C      -3.123631      0.003782      8.425747
  C      -4.412237      0.466770      9.033182
  C      -5.659718      0.055498      8.727451
  C      -6.014006     -1.004915      7.784625
  N      -5.104401     -1.949642      7.523541
  C      -5.455195     -2.936339      6.663136
  N      -6.607024     -3.095067      6.040175
  C      -7.552193     -2.134805      6.271542
  C      -8.793478     -2.219366      5.594317
  C      -9.754458     -1.249403      5.786466
  C      -9.515856     -0.166648      6.664051
  C      -8.316815     -0.060902      7.338840
  C      -7.306649     -1.039455      7.161183
  H      -3.686290      5.846001      6.267433
  H      -4.224597      5.422761      7.907970
  H      -5.382566      3.355295      7.003124
  H      -5.177075      5.159522      4.517992
  H      -7.036202      0.150501      4.658672
  H     -10.086805      2.280878      1.972791
  H     -10.424496      4.645747      1.235999
  H      -8.916808      6.443150      2.064080
  H      -7.070709      5.917146      3.617839
  H      -0.162043      2.086742      3.421943
  H      -1.895357      2.341941      3.627837
  H      -0.519216     -0.315315      4.392111
  H      -2.334128     -1.404126      3.388741
  H      -4.195982      3.037674      0.994926
  H      -7.608358     -0.014648      0.713781
  H      -8.052211     -2.248571      1.745520
  H      -6.376326     -3.264014      3.286788
  H      -4.236667     -2.141775      3.724634
  H      -2.654552     -0.763400      9.068955
  H      -3.304337     -0.487287      7.463833
  H      -4.310929      1.271430      9.769124
  H      -6.489738      0.562656      9.221570
  H      -4.686174     -3.693719      6.478568
  H      -8.953530     -3.062934      4.921765
  H     -10.705426     -1.310608      5.255395
  H     -10.284108      0.595973      6.798639
  H      -8.144730      0.791304      7.995946
  N      -3.661720      1.865381      5.896903
  H      -4.628340      1.718241      5.480911
91
Coordinates from ORCA-job orca E -6199.977766480784
  N      -2.658571      4.236321      7.175822
  Mo     -2.235950      2.353417      6.735766
  N      -2.181528      1.123464      8.262646
  C      -1.191174      1.228072      9.332484
  C      -0.556990      2.609454      9.322633
  N      -0.344117      3.037566      7.923056
  C      -0.293775      4.507490      7.772262
  C      -1.698123      5.071103      7.904577
  C       0.796870      2.345840      7.280010
  C       0.614382      2.362347      5.770535
  N      -0.788826      2.135556      5.434990
  H      -1.709051      6.097690      7.498780
  H      -2.004360      5.153325      8.964958
  H       0.089955      4.722456      6.766016
  H       0.394536      4.962463      8.505631
  H       1.246145      1.575395      5.323677
  H       0.951151      3.319780      5.328925
  H       0.785571      1.305611      7.632054
  H       1.757222      2.799517      7.579630
  H      -1.671255      1.059427     10.311941
  H      -0.433874      0.429200      9.217545
  H      -1.248496      3.327815      9.782922
  H       0.387492      2.629600      9.892971
  C      -3.911059      4.982462      6.940998
  C      -5.004956      4.147641      6.372440
  C      -5.513693      4.311314      5.140110
  C      -6.471582      3.364929      4.558812
  N      -6.315941      2.075173      4.884091
  C      -7.200826      1.181281      4.370005
  N      -8.215917      1.438553      3.573046
  C      -8.378927      2.739448      3.192613
  C      -9.434094      3.072184      2.309587
  C      -9.614290      4.380957      1.914014
  C      -8.758982      5.404580      2.388291
  C      -7.725317      5.110012      3.252935
  C      -7.506735      3.772237      3.665591
  C      -1.037541      1.787924      4.021282
  C      -1.261230      0.314042      3.887093
  C      -2.303157     -0.312618      3.303988
  C      -3.429590      0.294700      2.592380
  N      -3.287786      1.518684      2.072812
  C      -4.332540      2.029596      1.377044
  N      -5.474394      1.437579      1.081378
  C      -5.651482      0.185033      1.599517
  C      -6.861130     -0.501040      1.333873
  C      -7.098250     -1.731150      1.908795
  C      -6.144064     -2.317721      2.772223
  C      -4.944511     -1.683448      3.025196
  C      -4.658022     -0.430319      2.427955
  C      -3.119796     -0.001230      8.429602
  C      -4.404367      0.464928      9.042844
  C      -5.654301      0.058152      8.741886
  C      -6.016040     -0.998777      7.798080
  N      -5.111513     -1.946857      7.531740
  C      -5.469880     -2.929663      6.669783
  N      -6.624257     -3.081061      6.049838
  C      -7.564129     -2.116953      6.286770
  C      -8.808061     -2.193619      5.613617
  C      -9.763610     -1.219475      5.811635
  C      -9.516722     -0.140004      6.690977
  C      -8.314833     -0.041814      7.361792
  C      -7.310492     -1.025340      7.178564
  H      -3.696882      5.836016      6.272386
  H      -4.235375      5.408337      7.911259
  H      -5.388653      3.339862      7.001952
  H      -5.184462      5.150453      4.521343
  H      -7.032093      0.137242      4.644635
  H     -10.082851      2.268910      1.958588
  H     -10.424451      4.635672      1.228994
  H      -8.923375      6.433802      2.066626
  H      -7.079462      5.906999      3.622768
  H      -0.160560      2.093494      3.421982
  H      -1.894429      2.344747      3.628296
  H      -0.513195     -0.311993      4.385506
  H      -2.325316     -1.401264      3.376100
  H      -4.191337      3.046673      0.996705
  H      -7.596076     -0.012114      0.694146
  H      -8.038001     -2.250835      1.715688
  H      -6.363736     -3.269736      3.256025
  H      -4.226695     -2.145613      3.702891
  H      -2.649544     -0.769657      9.070536
  H      -3.305679     -0.491282      7.467955
  H      -4.297476      1.268649      9.779030
  H      -6.480667      0.567450      9.239963
  H      -4.704737     -3.689683      6.480220
  H      -8.974426     -3.034482      4.939300
  H     -10.716610     -1.274767      5.283711
  H     -10.280837      0.625788      6.830109
  H      -8.135482      0.808183      8.019987
  N      -3.659797      1.853949      5.898227
  H      -4.626884      1.703928      5.483609
91
Coordinates from ORCA-job orca E -6199.977767038284
  N      -2.658844      4.236538      7.176888
  Mo     -2.236451      2.353570      6.736924
  N      -2.180881      1.123457      8.263611
  C      -1.190138      1.228233      9.333102
  C      -0.556219      2.609749      9.323041
  N      -0.344108      3.038013      7.923353
  C      -0.293962      4.507974      7.772679
  C      -1.698337      5.071378      7.905477
  C       0.796506      2.346382      7.279596
  C       0.613230      2.363029      5.770229
  N      -0.790080      2.135937      5.435385
  H      -1.709542      6.098019      7.499824
  H      -2.004182      5.153435      8.965983
  H       0.089391      4.723049      6.766329
  H       0.394505      4.962958      8.505870
  H       1.244985      1.576321      5.322924
  H       0.949526      3.320598      5.328554
  H       0.785414      1.306129      7.631573
  H       1.757066      2.799966      7.578671
  H      -1.669869      1.059440     10.312702
  H      -0.432720      0.429524      9.217828
  H      -1.247554      3.328012      9.783714
  H       0.388566      2.629958      9.892867
  C      -3.911205      4.982657      6.941716
  C      -5.004729      4.147518      6.372869
  C      -5.512951      4.310841      5.140270
  C      -6.471093      3.364730      4.558849
  N      -6.316217      2.074926      4.884398
  C      -7.201134      1.181340      4.369899
  N      -8.215888      1.439042      3.572621
  C      -8.377984      2.739833      3.191718
  C      -9.432535      3.072878      2.308067
  C      -9.611733      4.381583      1.911931
  C      -8.755989      5.404880      2.386201
  C      -7.722935      5.110049      3.251481
  C      -7.505467      3.772278      3.664863
  C      -1.039534      1.788562      4.021745
  C      -1.264080      0.314783      3.887694
  C      -2.306324     -0.311521      3.304735
  C      -3.432401      0.295762      2.592483
  N      -3.289929      1.518966      2.071267
  C      -4.334144      2.029197      1.374216
  N      -5.475890      1.437028      1.078483
  C      -5.653660      0.185286      1.598285
  C      -6.863314     -0.500882      1.332797
  C      -7.101364     -1.729844      1.909752
  C      -6.148100     -2.315230      2.775034
  C      -4.948410     -1.681084      3.027636
  C      -4.661000     -0.429057      2.428409
  C      -3.118604     -0.001726      8.430500
  C      -4.403525      0.463699      9.043596
  C      -5.653295      0.056328      8.742581
  C      -6.014613     -1.000863      7.798856
  N      -5.110317     -1.949492      7.533645
  C      -5.468367     -2.932317      6.671523
  N      -6.622182     -3.083269      6.050487
  C      -7.561928     -2.118821      6.286562
  C      -8.805250     -2.195043      5.612264
  C      -9.760669     -1.220606      5.809500
  C      -9.514202     -0.141214      6.689064
  C      -8.312823     -0.043383      7.360843
  C      -7.308640     -1.027192      7.178444
  H      -3.696777      5.836211      6.273138
  H      -4.235871      5.408594      7.911873
  H      -5.388573      3.339846      7.002412
  H      -5.183292      5.149798      4.521418
  H      -7.033167      0.137224      4.644916
  H     -10.081556      2.269898      1.957002
  H     -10.421385      4.636543      1.226400
  H      -8.919615      6.434069      2.064082
  H      -7.076763      5.906802      3.621329
  H      -0.162655      2.093648      3.422091
  H      -1.896221      2.345882      3.629116
  H      -0.516474     -0.311469      4.386398
  H      -2.329155     -1.400109      3.377439
  H      -4.192392      3.045658      0.992498
  H      -7.597653     -0.012785      0.691660
  H      -8.041191     -2.249495      1.716793
  H      -6.368521     -3.266209      3.260505
  H      -4.231229     -2.142381      3.706630
  H      -2.647985     -0.769822      9.071500
  H      -3.303993     -0.491883      7.468889
  H      -4.297116      1.267642      9.779611
  H      -6.479928      0.565565      9.240325
  H      -4.703400     -3.692747      6.482920
  H      -8.971254     -3.035817      4.937697
  H     -10.713182     -1.275564      5.280663
  H     -10.278217      0.624852      6.827499
  H      -8.133635      0.806633      8.019052
  N      -3.660620      1.854202      5.899903
  H      -4.627925      1.704876      5.485403
91
Coordinates from ORCA-job orca E -6199.977767912969
  N      -2.658472      4.237061      7.176822
  Mo     -2.236807      2.353711      6.737613
  N      -2.180961      1.123728      8.264473
  C      -1.190036      1.228578      9.333767
  C      -0.555986      2.610034      9.323406
  N      -0.344122      3.038141      7.923631
  C      -0.293626      4.508082      7.772900
  C      -1.697913      5.071730      7.905558
  C       0.796155      2.346189      7.279615
  C       0.612506      2.362790      5.770304
  N      -0.790866      2.135620      5.435751
  H      -1.708932      6.098387      7.499958
  H      -2.003838      5.153758      8.966041
  H       0.089893      4.723083      6.766599
  H       0.394847      4.962927      8.506173
  H       1.244209      1.576114      5.322874
  H       0.948652      3.320377      5.328551
  H       0.784940      1.305966      7.631676
  H       1.756910      2.799573      7.578379
  H      -1.669616      1.059943     10.313469
  H      -0.432668      0.429817      9.218494
  H      -1.247110      3.328457      9.784150
  H       0.388939      2.630189      9.892999
  C      -3.910343      4.983744      6.940769
  C      -5.004111      4.148865      6.372064
  C      -5.512119      4.311736      5.139319
  C      -6.470508      3.365575      4.558380
  N      -6.315993      2.075920      4.884688
  C      -7.201272      1.182272      4.370903
  N      -8.216119      1.439817      3.573706
  C      -8.377846      2.740413      3.192005
  C      -9.432523      3.073224      2.308423
  C      -9.611397      4.381723      1.911490
  C      -8.755194      5.405046      2.384881
  C      -7.722026      5.110452      3.250106
  C      -7.504887      3.772873      3.664295
  C      -1.040613      1.787884      4.022272
  C      -1.265653      0.314152      3.888597
  C      -2.307969     -0.311869      3.305478
  C      -3.433646      0.295738      2.592895
  N      -3.290637      1.518845      2.071601
  C      -4.334554      2.029398      1.374327
  N      -5.476458      1.437600      1.078424
  C      -5.654775      0.185971      1.598307
  C      -6.864599     -0.499812      1.332641
  C      -7.103228     -1.728612      1.909708
  C      -6.150404     -2.314168      2.775346
  C      -4.950540     -1.680397      3.028132
  C      -4.662510     -0.428613      2.428735
  C      -3.118410     -0.001702      8.431338
  C      -4.403611      0.463365      9.044108
  C      -5.653187      0.055579      8.742820
  C      -6.013846     -1.001732      7.798984
  N      -5.109023     -1.949890      7.533901
  C      -5.466329     -2.932755      6.671511
  N      -6.619851     -3.084126      6.050047
  C      -7.560123     -2.120147      6.285949
  C      -8.803133     -2.196784      5.611120
  C      -9.759098     -1.222845      5.808204
  C      -9.513504     -0.143573      6.688147
  C      -8.312428     -0.045312      7.360401
  C      -7.307675     -1.028575      7.178144
  H      -3.695208      5.836793      6.271776
  H      -4.235123      5.410404      7.910563
  H      -5.388323      3.341649      7.001952
  H      -5.182104      5.150254      4.520068
  H      -7.033545      0.138280      4.646473
  H     -10.081877      2.270189      1.958096
  H     -10.421154      4.636490      1.226010
  H      -8.918558      6.434085      2.062136
  H      -7.075497      5.907238      3.619266
  H      -0.163741      2.092547      3.422391
  H      -1.897189      2.345372      3.629624
  H      -0.518394     -0.312261      4.387619
  H      -2.331271     -1.400439      3.378320
  H      -4.192412      3.045805      0.992618
  H      -7.598583     -0.011531      0.691238
  H      -8.043176     -2.247964      1.716557
  H      -6.371173     -3.264958      3.261034
  H      -4.233748     -2.141836      3.707443
  H      -2.647686     -0.769582      9.072521
  H      -3.303453     -0.492053      7.469754
  H      -4.297597      1.267329      9.780158
  H      -6.480089      0.564519      9.240408
  H      -4.700930     -3.692791      6.483063
  H      -8.968499     -3.037473      4.936296
  H     -10.711366     -1.278117      5.278951
  H     -10.277937      0.622095      6.826464
  H      -8.133921      0.804619      8.018898
  N      -3.660966      1.854203      5.900686
  H      -4.628305      1.705554      5.485816
