91
Coordinates from ORCA-job orca E -6199.920084813985
  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 -6199.944018516093
  N      -2.571637      4.436674      7.336285
  Mo     -2.214498      2.883656      6.148019
  N      -2.446398      1.482458      7.532402
  C      -1.374411      1.296527      8.498900
  C      -0.648889      2.614363      8.752204
  N      -0.355629      3.286297      7.467496
  C      -0.232665      4.743882      7.651928
  C      -1.618085      5.317054      7.942460
  C       0.862111      2.748277      6.831083
  C       0.577683      2.695998      5.326449
  N      -0.685845      2.018249      5.182186
  H      -1.695530      6.341967      7.527887
  H      -1.800296      5.400955      9.033966
  H       0.148587      5.167635      6.716041
  H       0.476854      4.973586      8.462855
  H       1.396980      2.186650      4.798155
  H       0.505132      3.723159      4.925751
  H       1.030106      1.723219      7.183610
  H       1.744055      3.360122      7.071904
  H      -1.758257      0.927505      9.464346
  H      -0.654996      0.536005      8.129160
  H      -1.312103      3.260742      9.337312
  H       0.277680      2.449841      9.325108
  C      -3.953048      4.774155      7.539556
  C      -4.713510      3.990614      6.515335
  C      -5.953549      4.247639      6.070918
  C      -6.612203      3.569085      4.971425
  N      -5.830711      2.973430      4.053715
  C      -6.432434      2.413362      2.992979
  N      -7.714248      2.412343      2.695363
  C      -8.544414      2.981585      3.617273
  C      -9.934281      2.990446      3.372687
  C     -10.796927      3.552877      4.289398
  C     -10.301740      4.120350      5.477474
  C      -8.947565      4.132568      5.737063
  C      -8.034396      3.585726      4.808412
  C      -0.627982      0.714931      4.528941
  C      -1.421952     -0.364404      5.202411
  C      -2.373572     -1.158635      4.661202
  C      -2.989509     -1.088633      3.344758
  N      -2.919329      0.060603      2.652792
  C      -3.613845      0.155080      1.508950
  N      -4.403942     -0.747204      0.967621
  C      -4.461814     -1.953408      1.603530
  C      -5.260842     -2.975110      1.045856
  C      -5.311265     -4.216303      1.641146
  C      -4.560615     -4.478380      2.802959
  C      -3.783676     -3.494012      3.376590
  C      -3.727431     -2.200533      2.808305
  C      -3.551437      0.543718      7.734730
  C      -4.773493      1.204875      8.303774
  C      -6.031051      1.191193      7.816172
  C      -6.538303      0.605923      6.585436
  N      -5.670974      0.202834      5.645085
  C      -6.162506     -0.230313      4.475481
  N      -7.422655     -0.404172      4.141016
  C      -8.345052     -0.041639      5.079990
  C      -9.714015     -0.215015      4.784113
  C     -10.673719      0.137657      5.707063
  C     -10.295300      0.665190      6.955107
  C      -8.964920      0.841245      7.269823
  C      -7.951665      0.491502      6.348937
  H      -4.133995      5.860466      7.412428
  H      -4.285317      4.513871      8.572768
  H      -4.137787      3.114302      6.157598
  H      -6.516558      5.050992      6.549487
  H      -5.766640      1.922766      2.276986
  H     -10.289446      2.535293      2.451082
  H     -11.868156      3.554430      4.097249
  H     -10.993792      4.551479      6.198305
  H      -8.578465      4.565114      6.664955
  H       0.421705      0.366258      4.524514
  H      -0.947844      0.800869      3.479988
  H      -1.107470     -0.588868      6.222674
  H      -2.751134     -1.966632      5.287323
  H      -3.523748      1.111376      0.984306
  H      -5.815209     -2.745976      0.138901
  H      -5.924649     -5.003808      1.207795
  H      -4.591223     -5.470536      3.249830
  H      -3.196678     -3.725623      4.262027
  H      -3.248673     -0.246851      8.446551
  H      -3.812825      0.058036      6.791760
  H      -4.604700      1.735224      9.244488
  H      -6.783057      1.711969      8.406944
  H      -5.421087     -0.475209      3.715137
  H      -9.970231     -0.626123      3.810419
  H     -11.728391      0.008140      5.473045
  H     -11.060277      0.936477      7.679632
  H      -8.701065      1.239515      8.246785
  N      -2.193000      4.267444      4.610209
  H      -2.196216      4.951571      3.849488
91
Coordinates from ORCA-job orca E -6199.963941331112
  N      -2.561416      4.446281      7.337881
  Mo     -2.195039      2.890821      6.135980
  N      -2.438088      1.470241      7.534377
  C      -1.361283      1.296159      8.510877
  C      -0.644395      2.614899      8.769426
  N      -0.341931      3.295919      7.481215
  C      -0.228884      4.760473      7.669668
  C      -1.616199      5.324038      7.953072
  C       0.886254      2.761416      6.844418
  C       0.611669      2.710416      5.341070
  N      -0.646835      2.027547      5.190589
  H      -1.690372      6.353816      7.539456
  H      -1.804484      5.406792      9.047988
  H       0.159308      5.184868      6.734296
  H       0.478877      4.988856      8.486319
  H       1.437060      2.199736      4.816954
  H       0.536998      3.740298      4.934432
  H       1.054013      1.734579      7.200254
  H       1.765280      3.379124      7.099789
  H      -1.748603      0.925680      9.476781
  H      -0.633327      0.536019      8.147108
  H      -1.313111      3.263732      9.350019
  H       0.282899      2.455857      9.349093
  C      -3.953443      4.772683      7.515427
  C      -4.718854      3.994287      6.483258
  C      -5.957497      4.245597      6.030529
  C      -6.618249      3.557515      4.928081
  N      -5.845898      2.967811      4.006714
  C      -6.463002      2.403802      2.940639
  N      -7.760591      2.392066      2.659515
  C      -8.576133      2.956582      3.599869
  C      -9.978029      2.960978      3.382313
  C     -10.827659      3.522888      4.316576
  C     -10.310611      4.097915      5.502094
  C      -8.947590      4.115277      5.735291
  C      -8.047374      3.567430      4.785096
  C      -0.606002      0.715030      4.546980
  C      -1.413492     -0.361860      5.210841
  C      -2.367332     -1.152203      4.657882
  C      -2.979048     -1.070089      3.329787
  N      -2.910038      0.082764      2.650852
  C      -3.601491      0.185069      1.491442
  N      -4.388173     -0.724707      0.930610
  C      -4.439650     -1.935851      1.564728
  C      -5.230668     -2.967017      0.995966
  C      -5.275939     -4.214942      1.586302
  C      -4.526537     -4.479633      2.758043
  C      -3.758912     -3.488724      3.342762
  C      -3.709545     -2.185697      2.778129
  C      -3.543047      0.519312      7.740102
  C      -4.760438      1.192093      8.306194
  C      -6.023512      1.186556      7.822880
  C      -6.545850      0.570842      6.602552
  N      -5.691618      0.100183      5.686519
  C      -6.195802     -0.374184      4.526215
  N      -7.470777     -0.508543      4.187382
  C      -8.379105     -0.064959      5.109232
  C      -9.760639     -0.191248      4.817588
  C     -10.706601      0.237990      5.727607
  C     -10.305362      0.799609      6.963289
  C      -8.964732      0.931188      7.274405
  C      -7.965002      0.501470      6.363741
  H      -4.135972      5.860252      7.387298
  H      -4.299049      4.507375      8.545694
  H      -4.157499      3.105107      6.121650
  H      -6.518754      5.053809      6.512825
  H      -5.800641      1.917045      2.213867
  H     -10.351689      2.501065      2.463466
  H     -11.908112      3.519601      4.143483
  H     -10.994353      4.529103      6.239364
  H      -8.561212      4.551886      6.660229
  H       0.444218      0.358401      4.553825
  H      -0.919048      0.803114      3.495432
  H      -1.110684     -0.592389      6.238976
  H      -2.750360     -1.964792      5.282514
  H      -3.512629      1.149044      0.974085
  H      -5.784373     -2.737532      0.081666
  H      -5.884118     -5.008677      1.142509
  H      -4.552032     -5.478751      3.202026
  H      -3.173249     -3.725109      4.233918
  H      -3.233669     -0.265772      8.458983
  H      -3.803771      0.026102      6.799362
  H      -4.585317      1.744011      9.239826
  H      -6.764229      1.742843      8.404110
  H      -5.451117     -0.685799      3.782435
  H     -10.036869     -0.630250      3.855322
  H     -11.771603      0.144240      5.495226
  H     -11.062725      1.132724      7.679000
  H      -8.682147      1.357438      8.239699
  N      -2.223745      4.181320      4.654297
  H      -2.275275      4.851699      3.881987
91
Coordinates from ORCA-job orca E -6199.979231573847
  N      -2.548041      4.466350      7.324766
  Mo     -2.182455      2.899364      6.116927
  N      -2.439929      1.463799      7.534545
  C      -1.360028      1.302419      8.515937
  C      -0.645309      2.621946      8.775588
  N      -0.330678      3.303780      7.486243
  C      -0.218661      4.772030      7.671303
  C      -1.605824      5.339127      7.944049
  C       0.902526      2.764151      6.855793
  C       0.638209      2.705481      5.352673
  N      -0.617744      2.024406      5.198524
  H      -1.669294      6.370718      7.527797
  H      -1.799028      5.427641      9.039519
  H       0.179276      5.189162      6.736019
  H       0.486636      4.999181      8.491262
  H       1.466208      2.187322      4.837614
  H       0.568577      3.733389      4.935229
  H       1.063525      1.738526      7.219722
  H       1.779898      3.382385      7.121897
  H      -1.750323      0.933862      9.482200
  H      -0.628122      0.541740      8.159063
  H      -1.315309      3.276573      9.349128
  H       0.280190      2.465571      9.360438
  C      -3.944305      4.793823      7.474541
  C      -4.719689      4.017931      6.443819
  C      -5.954842      4.269100      5.983436
  C      -6.623429      3.555102      4.897203
  N      -5.864516      2.909844      4.008930
  C      -6.495536      2.312120      2.962700
  N      -7.796759      2.315777      2.680122
  C      -8.595999      2.944239      3.593932
  C      -9.999630      2.982559      3.371966
  C     -10.833276      3.615775      4.274010
  C     -10.301239      4.232441      5.435691
  C      -8.938486      4.217553      5.672576
  C      -8.053433      3.596402      4.750738
  C      -0.596283      0.703823      4.570742
  C      -1.420815     -0.362608      5.229708
  C      -2.377188     -1.144667      4.668519
  C      -2.982529     -1.047551      3.333996
  N      -2.912901      0.111412      2.673048
  C      -3.598197      0.225395      1.505681
  N      -4.378071     -0.682597      0.924570
  C      -4.426528     -1.900146      1.547738
  C      -5.209436     -2.931495      0.962273
  C      -5.253004     -4.186274      1.538491
  C      -4.508928     -4.461400      2.714789
  C      -3.750504     -3.472141      3.315591
  C      -3.704783     -2.160950      2.764319
  C      -3.537270      0.501167      7.743578
  C      -4.755672      1.159733      8.320736
  C      -6.025018      1.146575      7.850429
  C      -6.552088      0.535703      6.624483
  N      -5.703035      0.086908      5.696969
  C      -6.213827     -0.381013      4.532221
  N      -7.493254     -0.516631      4.198807
  C      -8.394199     -0.092998      5.137057
  C      -9.779837     -0.231143      4.860297
  C     -10.719348      0.168071      5.790178
  C     -10.310401      0.712944      7.034199
  C      -8.967462      0.856353      7.331475
  C      -7.973646      0.454770      6.398838
  H      -4.120818      5.882370      7.338529
  H      -4.304071      4.533292      8.501530
  H      -4.181467      3.110454      6.083332
  H      -6.503891      5.097274      6.447871
  H      -5.842877      1.777382      2.261330
  H     -10.386371      2.490830      2.473945
  H     -11.913852      3.637820      4.096764
  H     -10.973954      4.719656      6.149135
  H      -8.540746      4.686656      6.577269
  H       0.450538      0.334271      4.591185
  H      -0.900146      0.789500      3.515686
  H      -1.131568     -0.595998      6.262162
  H      -2.767381     -1.957870      5.288869
  H      -3.510438      1.195952      1.001593
  H      -5.758683     -2.695213      0.045727
  H      -5.854859     -4.978515      1.081235
  H      -4.532154     -5.466153      3.147864
  H      -3.169279     -3.718159      4.207898
  H      -3.213737     -0.281644      8.459390
  H      -3.795674      0.006379      6.803161
  H      -4.579951      1.711574      9.255634
  H      -6.763109      1.693069      8.444700
  H      -5.468408     -0.679690      3.782167
  H     -10.063920     -0.656284      3.892969
  H     -11.786877      0.065208      5.568727
  H     -11.064337      1.023547      7.764951
  H      -8.677856      1.268161      8.301437
  N      -2.261561      4.084376      4.688332
  H      -2.367360      4.730884      3.903542
91
Coordinates from ORCA-job orca E -6199.990068814527
  N      -2.544086      4.467533      7.309741
  Mo     -2.175638      2.896713      6.087809
  N      -2.444700      1.446545      7.524666
  C      -1.365216      1.298127      8.508436
  C      -0.651796      2.618744      8.770582
  N      -0.323474      3.302494      7.486449
  C      -0.216346      4.770672      7.672085
  C      -1.606761      5.336633      7.937228
  C       0.914810      2.763991      6.864969
  C       0.662599      2.699228      5.360708
  N      -0.588800      2.016004      5.199869
  H      -1.663067      6.371145      7.525709
  H      -1.802968      5.424687      9.032430
  H       0.190431      5.185130      6.739492
  H       0.484290      4.996693      8.495684
  H       1.494393      2.177603      4.855331
  H       0.598556      3.724633      4.936401
  H       1.071422      1.740089      7.233932
  H       1.787466      3.383235      7.143828
  H      -1.758964      0.932884      9.474702
  H      -0.630625      0.536697      8.160473
  H      -1.324179      3.277122      9.336190
  H       0.269286      2.464168      9.362183
  C      -3.942736      4.794246      7.437485
  C      -4.728777      4.025032      6.409303
  C      -5.965067      4.281075      5.954464
  C      -6.644875      3.560812      4.879069
  N      -5.897255      2.915969      3.983028
  C      -6.540942      2.316045      2.947502
  N      -7.843837      2.305868      2.690030
  C      -8.631500      2.929886      3.615430
  C     -10.038087      2.956222      3.416229
  C     -10.860835      3.589149      4.324929
  C     -10.315923      4.218581      5.472421
  C      -8.951114      4.215754      5.686908
  C      -8.077389      3.594289      4.756473
  C      -0.576986      0.691482      4.585524
  C      -1.416342     -0.362345      5.243649
  C      -2.374107     -1.136256      4.677761
  C      -2.975630     -1.023565      3.342968
  N      -2.913396      0.145730      2.702181
  C      -3.593586      0.270748      1.535142
  N      -4.360165     -0.632992      0.936522
  C      -4.401646     -1.859177      1.541415
  C      -5.173424     -2.886951      0.937597
  C      -5.210461     -4.148802      1.493823
  C      -4.470442     -4.436018      2.668324
  C      -3.723685     -3.450957      3.286629
  C      -3.686234     -2.133218      2.755353
  C      -3.535862      0.482224      7.742517
  C      -4.745562      1.154779      8.316803
  C      -6.016080      1.144853      7.852169
  C      -6.550272      0.490650      6.652389
  N      -5.706754     -0.045456      5.768677
  C      -6.218296     -0.568728      4.630432
  N      -7.493136     -0.662961      4.278103
  C      -8.388908     -0.140440      5.168604
  C      -9.773224     -0.231698      4.870794
  C     -10.709732      0.258645      5.756088
  C     -10.301245      0.851907      6.976392
  C      -8.960522      0.951826      7.293647
  C      -7.969754      0.456159      6.405793
  H      -4.116949      5.883712      7.301320
  H      -4.313142      4.532904      8.459709
  H      -4.214566      3.102872      6.043481
  H      -6.504374      5.115536      6.417284
  H      -5.896694      1.785252      2.237461
  H     -10.435087      2.455660      2.529116
  H     -11.942973      3.601727      4.165309
  H     -10.980689      4.704893      6.191741
  H      -8.543846      4.693527      6.580931
  H       0.466005      0.311839      4.620761
  H      -0.869681      0.770321      3.526488
  H      -1.140078     -0.594236      6.278702
  H      -2.769828     -1.949396      5.292637
  H      -3.514378      1.249250      1.048154
  H      -5.719801     -2.641512      0.023238
  H      -5.803703     -4.937553      1.022653
  H      -4.488047     -5.446207      3.085591
  H      -3.144907     -3.706614      4.176391
  H      -3.207770     -0.292806      8.464405
  H      -3.797534     -0.020777      6.807951
  H      -4.560533      1.732338      9.232919
  H      -6.741189      1.730191      8.422295
  H      -5.473616     -0.950508      3.921090
  H     -10.058381     -0.696403      3.923579
  H     -11.775211      0.191594      5.518178
  H     -11.053770      1.235263      7.671075
  H      -8.670797      1.403675      8.244016
  N      -2.322211      3.989835      4.685194
  H      -2.494969      4.604448      3.888432
91
Coordinates from ORCA-job orca E -6200.000357258316
  N      -2.540424      4.462573      7.295074
  Mo     -2.169442      2.891120      6.059234
  N      -2.445810      1.426430      7.509707
  C      -1.369040      1.290546      8.495671
  C      -0.658147      2.613072      8.764251
  N      -0.314202      3.299507      7.488938
  C      -0.212932      4.765889      7.674322
  C      -1.607561      5.329409      7.931072
  C       0.928369      2.763872      6.877368
  C       0.686871      2.693646      5.371301
  N      -0.560327      2.007343      5.203668
  H      -1.658092      6.366480      7.525935
  H      -1.806562      5.415948      9.025279
  H       0.202033      5.178577      6.744807
  H       0.482102      4.993293      8.501610
  H       1.521819      2.169712      4.874182
  H       0.629474      3.716530      4.942223
  H       1.081787      1.741722      7.250406
  H       1.796123      3.383755      7.167909
  H      -1.765534      0.925487      9.460832
  H      -0.629995      0.530648      8.155760
  H      -1.334467      3.273043      9.322112
  H       0.256571      2.458776      9.364817
  C      -3.939324      4.795163      7.403689
  C      -4.739912      4.030168      6.385249
  C      -5.979823      4.294230      5.944563
  C      -6.683112      3.559083      4.896811
  N      -5.957423      2.854389      4.027422
  C      -6.618876      2.235554      3.019298
  N      -7.916922      2.255995      2.763460
  C      -8.685144      2.944912      3.658122
  C     -10.087277      3.011844      3.450798
  C     -10.889087      3.711832      4.325459
  C     -10.327380      4.369065      5.446235
  C      -8.966166      4.326537      5.668388
  C      -8.113089      3.635065      4.771866
  C      -0.551637      0.682081      4.598057
  C      -1.400380     -0.362213      5.257902
  C      -2.358370     -1.133353      4.693004
  C      -2.969666     -1.008651      3.366391
  N      -2.942401      0.175820      2.750786
  C      -3.629608      0.304948      1.592848
  N      -4.370296     -0.603989      0.979479
  C      -4.378846     -1.842551      1.557972
  C      -5.126308     -2.875694      0.937446
  C      -5.129650     -4.147237      1.468190
  C      -4.378882     -4.438468      2.632046
  C      -3.655502     -3.448261      3.266046
  C      -3.654161     -2.122620      2.761288
  C      -3.525136      0.454818      7.721382
  C      -4.733669      1.131150      8.291968
  C      -6.005761      1.124927      7.830445
  C      -6.547334      0.462146      6.640466
  N      -5.712489     -0.094081      5.760232
  C      -6.232184     -0.633045      4.636865
  N      -7.503915     -0.717992      4.288842
  C      -8.392198     -0.175366      5.172896
  C      -9.776105     -0.261123      4.879296
  C     -10.706494      0.244910      5.759377
  C     -10.292551      0.850578      6.968872
  C      -8.951978      0.946743      7.281195
  C      -7.967365      0.434742      6.398558
  H      -4.110338      5.885342      7.266561
  H      -4.317481      4.537142      8.422940
  H      -4.253078      3.093508      6.014742
  H      -6.499554      5.147620      6.392391
  H      -5.991980      1.657903      2.331949
  H     -10.497826      2.488546      2.585402
  H     -11.967682      3.756356      4.160185
  H     -10.976576      4.908204      6.138802
  H      -8.546744      4.827273      6.541876
  H       0.488069      0.295548      4.646891
  H      -0.832797      0.752832      3.534899
  H      -1.129975     -0.591329      6.293203
  H      -2.748266     -1.951022      5.303097
  H      -3.581763      1.294794      1.127632
  H      -5.681974     -2.626362      0.031886
  H      -5.704427     -4.939913      0.985028
  H      -4.369725     -5.455337      3.028701
  H      -3.066981     -3.705449      4.147188
  H      -3.193679     -0.320483      8.441172
  H      -3.783875     -0.047834      6.786624
  H      -4.546112      1.715737      9.201183
  H      -6.724245      1.718444      8.397425
  H      -5.494017     -1.036974      3.936756
  H     -10.066031     -0.734837      3.939979
  H     -11.771172      0.182082      5.525228
  H     -11.040398      1.247239      7.658162
  H      -8.657332      1.409018      8.223197
  N      -2.398993      3.911134      4.638368
  H      -2.647110      4.483339      3.830413
91
Coordinates from ORCA-job orca E -6200.008715182248
  N      -2.535423      4.460715      7.289483
  Mo     -2.164648      2.892872      6.040155
  N      -2.446783      1.414364      7.494052
  C      -1.373010      1.284536      8.480522
  C      -0.664004      2.608202      8.756536
  N      -0.308856      3.297922      7.489520
  C      -0.209068      4.761856      7.676932
  C      -1.605288      5.324649      7.931376
  C       0.935585      2.764523      6.884650
  C       0.701196      2.693580      5.377435
  N      -0.542604      2.006457      5.205709
  H      -1.651950      6.363958      7.532594
  H      -1.804335      5.408243      9.025078
  H       0.210497      5.174392      6.749833
  H       0.483444      4.987785      8.505947
  H       1.537645      2.168432      4.885072
  H       0.648640      3.715022      4.946738
  H       1.085711      1.743010      7.258560
  H       1.800261      3.383270      7.184123
  H      -1.771336      0.917331      9.443868
  H      -0.631153      0.526728      8.144318
  H      -1.342905      3.268364      9.309795
  H       0.245724      2.452723      9.363197
  C      -3.932779      4.797376      7.384601
  C      -4.740688      4.038054      6.369889
  C      -5.981854      4.310097      5.937717
  C      -6.699041      3.571274      4.904124
  N      -5.987682      2.826531      4.055884
  C      -6.657915      2.203628      3.060568
  N      -7.948965      2.253967      2.795754
  C      -8.704909      2.986820      3.664865
  C     -10.100422      3.089856      3.440736
  C     -10.888590      3.834512      4.287848
  C     -10.319691      4.501034      5.396900
  C      -8.964322      4.423036      5.635402
  C      -8.124646      3.684289      4.767245
  C      -0.537450      0.680877      4.607811
  C      -1.394962     -0.353492      5.270535
  C      -2.355150     -1.121108      4.708208
  C      -2.973700     -0.988816      3.388259
  N      -2.967953      0.204551      2.788830
  C      -3.660173      0.336550      1.638371
  N      -4.385682     -0.573439      1.016822
  C      -4.374869     -1.818950      1.578013
  C      -5.109188     -2.853171      0.947730
  C      -5.093101     -4.129762      1.462080
  C      -4.335419     -4.424424      2.617943
  C      -3.624620     -3.433021      3.261061
  C      -3.643961     -2.103751      2.773267
  C      -3.516953      0.437356      7.695539
  C      -4.724713      1.116329      8.263044
  C      -5.999016      1.105410      7.807451
  C      -6.546702      0.425534      6.631752
  N      -5.718247     -0.143119      5.752910
  C      -6.245385     -0.706838      4.648822
  N      -7.515612     -0.803213      4.314186
  C      -8.398389     -0.249998      5.195333
  C      -9.782593     -0.350657      4.915478
  C     -10.708196      0.163074      5.793708
  C     -10.289175      0.792700      6.986548
  C      -8.948009      0.904752      7.284713
  C      -7.968135      0.385669      6.403434
  H      -4.101451      5.888325      7.249335
  H      -4.317615      4.539029      8.400301
  H      -4.272356      3.093214      5.995231
  H      -6.487855      5.175230      6.375669
  H      -6.042679      1.594572      2.391646
  H     -10.516925      2.558427      2.585463
  H     -11.961747      3.907459      4.110112
  H     -10.958711      5.075414      6.067275
  H      -8.540025      4.932133      6.499479
  H       0.498826      0.287655      4.667190
  H      -0.810103      0.744899      3.541727
  H      -1.129401     -0.578974      6.306004
  H      -2.742764     -1.939494      5.316207
  H      -3.631759      1.332403      1.187394
  H      -5.670819     -2.600663      0.048929
  H      -5.657816     -4.923042      0.972221
  H      -4.311020     -5.444391      3.001329
  H      -3.030153     -3.691681      4.135885
  H      -3.184640     -0.340464      8.411776
  H      -3.772467     -0.061851      6.758906
  H      -4.535338      1.708511      9.164995
  H      -6.714073      1.702393      8.372075
  H      -5.512978     -1.123219      3.953865
  H     -10.076698     -0.842071      3.988648
  H     -11.772567      0.088611      5.570634
  H     -11.033123      1.195499      7.673482
  H      -8.648902      1.385572      8.214103
  N      -2.446418      3.864023      4.607340
  H      -2.742778      4.405984      3.795470
91
Coordinates from ORCA-job orca E -6200.012657591335
  N      -2.537565      4.455748      7.282214
  Mo     -2.164452      2.885041      6.034701
  N      -2.450571      1.404985      7.495795
  C      -1.379385      1.282922      8.483051
  C      -0.676379      2.609421      8.760149
  N      -0.312289      3.295246      7.495476
  C      -0.214108      4.759199      7.674723
  C      -1.610886      5.321786      7.924347
  C       0.934845      2.760191      6.899663
  C       0.705973      2.685952      5.392714
  N      -0.534404      1.996352      5.219101
  H      -1.655911      6.360749      7.524696
  H      -1.811363      5.408009      9.017489
  H       0.207327      5.166236      6.745884
  H       0.477510      4.990609      8.503174
  H       1.544266      2.160773      4.903248
  H       0.655189      3.706620      4.960328
  H       1.082734      1.739781      7.277593
  H       1.797513      3.379688      7.203779
  H      -1.779094      0.916841      9.446495
  H      -0.633405      0.526478      8.152613
  H      -1.359925      3.270722      9.306257
  H       0.229062      2.457382      9.374312
  C      -3.933468      4.795544      7.361852
  C      -4.742684      4.027790      6.356412
  C      -5.985462      4.297542      5.926861
  C      -6.710312      3.538463      4.914227
  N      -6.007095      2.755129      4.093689
  C      -6.682459      2.107626      3.118724
  N      -7.971754      2.164570      2.850482
  C      -8.720404      2.938465      3.690435
  C     -10.113966      3.049644      3.459853
  C     -10.894494      3.833505      4.277987
  C     -10.319764      4.531642      5.363946
  C      -8.966203      4.444977      5.608997
  C      -8.134188      3.665129      4.770389
  C      -0.534367      0.676547      4.611947
  C      -1.401894     -0.357659      5.261939
  C      -2.356643     -1.122471      4.687002
  C      -2.964910     -0.981484      3.363774
  N      -2.975502      0.221351      2.783038
  C      -3.652588      0.356190      1.624588
  N      -4.347302     -0.559045      0.977618
  C      -4.320710     -1.812436      1.520474
  C      -5.024565     -2.851464      0.864453
  C      -4.992500     -4.134256      1.362086
  C      -4.248736     -4.430190      2.526264
  C      -3.567608     -3.434464      3.194043
  C      -3.604243     -2.099885      2.723314
  C      -3.522480      0.432991      7.700845
  C      -4.720639      1.119338      8.279747
  C      -5.999938      1.116546      7.837764
  C      -6.566500      0.427834      6.676939
  N      -5.754127     -0.178087      5.807516
  C      -6.297183     -0.754764      4.718597
  N      -7.569207     -0.825008      4.387005
  C      -8.436596     -0.231320      5.257269
  C      -9.822782     -0.298068      4.977824
  C     -10.733900      0.258941      5.844571
  C     -10.297919      0.900711      7.024370
  C      -8.954282      0.981933      7.320915
  C      -7.989094      0.418447      6.451141
  H      -4.101351      5.885359      7.216221
  H      -4.324541      4.547693      8.377717
  H      -4.283951      3.076425      5.987705
  H      -6.485295      5.174589      6.348023
  H      -6.072898      1.468568      2.472332
  H     -10.535275      2.493030      2.623134
  H     -11.966349      3.913401      4.095284
  H     -10.953215      5.137161      6.011854
  H      -8.537853      4.978663      6.456092
  H       0.498725      0.275674      4.677264
  H      -0.797367      0.748292      3.543603
  H      -1.146345     -0.588817      6.298532
  H      -2.746559     -1.946906      5.285421
  H      -3.638908      1.359450      1.189162
  H      -5.576765     -2.597362     -0.039748
  H      -5.534397     -4.931278      0.852865
  H      -4.211932     -5.454524      2.896881
  H      -2.983761     -3.692868      4.076187
  H      -3.188713     -0.349176      8.411696
  H      -3.788089     -0.061945      6.764611
  H      -4.516015      1.720660      9.172196
  H      -6.702213      1.728985      8.401816
  H      -5.576114     -1.206322      4.033599
  H     -10.130259     -0.798977      4.060444
  H     -11.799908      0.210197      5.622052
  H     -11.030648      1.338565      7.701865
  H      -8.641828      1.474718      8.239610
  N      -2.484617      3.811988      4.587637
  H      -2.815643      4.325721      3.770813
91
Coordinates from ORCA-job orca E -6200.018287734507
  N      -2.528350      4.458215      7.268236
  Mo     -2.153867      2.878454      6.033390
  N      -2.443608      1.405328      7.505606
  C      -1.377854      1.294705      8.495814
  C      -0.681401      2.625331      8.769422
  N      -0.304830      3.299743      7.504654
  C      -0.206994      4.764091      7.667051
  C      -1.604291      5.328877      7.907486
  C       0.944622      2.757989      6.922641
  C       0.721969      2.675170      5.415533
  N      -0.517146      1.985639      5.240499
  H      -1.647416      6.365518      7.503291
  H      -1.807723      5.421545      8.998945
  H       0.216113      5.160333      6.734382
  H       0.483274      5.006758      8.493488
  H       1.561017      2.147302      4.930450
  H       0.676087      3.693686      4.979121
  H       1.088506      1.740158      7.308601
  H       1.806289      3.377672      7.228387
  H      -1.780072      0.933033      9.459972
  H      -0.626943      0.539036      8.175086
  H      -1.370980      3.290068      9.303231
  H       0.217079      2.478690      9.394927
  C      -3.921482      4.804829      7.332865
  C      -4.734361      4.021020      6.346059
  C      -5.979380      4.290739      5.921827
  C      -6.718347      3.510538      4.937494
  N      -6.030413      2.679104      4.150984
  C      -6.715759      2.010222      3.199363
  N      -8.001364      2.086930      2.922673
  C      -8.735867      2.912168      3.725737
  C     -10.125361      3.043090      3.484965
  C     -10.891782      3.874478      4.268811
  C     -10.306274      4.600830      5.329426
  C      -8.956105      4.494141      5.584655
  C      -8.138314      3.663754      4.782095
  C      -0.527167      0.676873      4.613663
  C      -1.400121     -0.358444      5.255567
  C      -2.365282     -1.108776      4.679024
  C      -2.984076     -0.944715      3.364861
  N      -3.005186      0.271127      2.811492
  C      -3.685864      0.426133      1.658853
  N      -4.374907     -0.479060      0.993815
  C      -4.342318     -1.743427      1.509864
  C      -5.044038     -2.771094      0.835040
  C      -5.008037     -4.062920      1.308252
  C      -4.263132     -4.378844      2.465697
  C      -3.583141     -3.394599      3.151188
  C      -3.622297     -2.052094      2.704957
  C      -3.518304      0.440081      7.708988
  C      -4.715642      1.134111      8.279380
  C      -5.994542      1.114535      7.837925
  C      -6.556131      0.372860      6.709366
  N      -5.741012     -0.304029      5.895663
  C      -6.275536     -0.942454      4.838622
  N      -7.541928     -1.009789      4.488211
  C      -8.412963     -0.342589      5.300285
  C      -9.793465     -0.392584      4.992599
  C     -10.708341      0.244273      5.798250
  C     -10.281570      0.952884      6.941908
  C      -8.943119      1.021029      7.263584
  C      -7.974229      0.377607      6.456181
  H      -4.087170      5.892194      7.168748
  H      -4.316444      4.576983      8.351617
  H      -4.286667      3.061636      5.988537
  H      -6.467986      5.184259      6.320068
  H      -6.117663      1.334903      2.579828
  H     -10.555205      2.463603      2.668863
  H     -11.960543      3.970692      4.078243
  H     -10.928753      5.244536      5.949977
  H      -8.520133      5.050257      6.412824
  H       0.502148      0.265997      4.673175
  H      -0.789585      0.762787      3.545602
  H      -1.140537     -0.603081      6.287545
  H      -2.757835     -1.937072      5.270036
  H      -3.679648      1.438465      1.244999
  H      -5.598674     -2.501199     -0.062631
  H      -5.549123     -4.851115      0.785386
  H      -4.225016     -5.409409      2.817535
  H      -3.000137     -3.666967      4.029332
  H      -3.190475     -0.342924      8.421249
  H      -3.784047     -0.054917      6.772775
  H      -4.508084      1.766973      9.148469
  H      -6.698034      1.748836      8.374915
  H      -5.551794     -1.455370      4.201199
  H     -10.093596     -0.944774      4.103084
  H     -11.769738      0.207819      5.554227
  H     -11.016920      1.453828      7.570472
  H      -8.637735      1.568756      8.152678
  N      -2.521353      3.752513      4.557497
  H      -2.891446      4.228471      3.734918
91
Coordinates from ORCA-job orca E -6200.023226802630
  N      -2.519441      4.462596      7.262498
  Mo     -2.140560      2.884258      6.027904
  N      -2.430130      1.400346      7.495417
  C      -1.368509      1.293895      8.486619
  C      -0.683717      2.628752      8.771696
  N      -0.296227      3.306306      7.513773
  C      -0.201502      4.770155      7.672592
  C      -1.599917      5.333179      7.907624
  C       0.957190      2.766732      6.940160
  C       0.741674      2.686964      5.432368
  N      -0.494964      1.996922      5.252198
  H      -1.641897      6.371274      7.507976
  H      -1.807576      5.422363      8.998362
  H       0.223441      5.164301      6.739710
  H       0.486902      5.017706      8.499484
  H       1.582303      2.160057      4.948614
  H       0.700082      3.706495      4.998179
  H       1.099728      1.748572      7.325780
  H       1.816241      3.386470      7.253370
  H      -1.770886      0.923386      9.447676
  H      -0.609636      0.545813      8.165919
  H      -1.381703      3.288981      9.300077
  H       0.208308      2.484089      9.407282
  C      -3.910851      4.811985      7.313034
  C      -4.726727      4.015705      6.341364
  C      -5.975987      4.283230      5.926450
  C      -6.730854      3.481639      4.972978
  N      -6.061104      2.603822      4.221052
  C      -6.760401      1.911126      3.297785
  N      -8.044533      2.001946      3.019581
  C      -8.761491      2.875901      3.786624
  C     -10.148365      3.023277      3.541639
  C     -10.897318      3.901390      4.290967
  C     -10.296157      4.659148      5.320108
  C      -8.947884      4.536731      5.578835
  C      -8.147817      3.657022      4.811951
  C      -0.513415      0.699816      4.606366
  C      -1.380560     -0.338274      5.252460
  C      -2.357000     -1.082467      4.687786
  C      -2.995796     -0.909744      3.385237
  N      -3.028438      0.311322      2.843729
  C      -3.721267      0.472813      1.699545
  N      -4.413628     -0.429343      1.034405
  C      -4.375037     -1.697258      1.541336
  C      -5.083715     -2.721082      0.868247
  C      -5.043233     -4.015441      1.334527
  C      -4.287346     -4.337554      2.482924
  C      -3.599223     -3.357230      3.166042
  C      -3.641516     -2.012863      2.726155
  C      -3.498015      0.426124      7.678564
  C      -4.703889      1.106459      8.248082
  C      -5.982583      1.075128      7.804936
  C      -6.541566      0.313751      6.688620
  N      -5.730303     -0.408979      5.910134
  C      -6.263420     -1.071831      4.867597
  N      -7.525120     -1.120851      4.498525
  C      -8.392602     -0.405024      5.272559
  C      -9.767734     -0.426749      4.938974
  C     -10.678968      0.265053      5.702579
  C     -10.253559      1.002881      6.827817
  C      -8.919996      1.044611      7.173559
  C      -7.954845      0.345037      6.409607
  H      -4.076826      5.897335      7.136182
  H      -4.309451      4.597991      8.333410
  H      -4.288697      3.050930      5.988912
  H      -6.455239      5.189540      6.306666
  H      -6.175905      1.201219      2.704354
  H     -10.590594      2.418760      2.750622
  H     -11.964335      4.010818      4.097297
  H     -10.905108      5.340477      5.913474
  H      -8.500246      5.118141      6.383139
  H       0.515040      0.284917      4.652897
  H      -0.785122      0.796140      3.540921
  H      -1.109410     -0.586546      6.280685
  H      -2.745644     -1.910337      5.282349
  H      -3.723676      1.488710      1.294115
  H      -5.648212     -2.446311     -0.021858
  H      -5.590604     -4.800706      0.813637
  H      -4.247635     -5.369752      2.830008
  H      -3.009669     -3.633043      4.038906
  H      -3.169578     -0.365954      8.380592
  H      -3.755271     -0.057745      6.734054
  H      -4.500841      1.751676      9.109050
  H      -6.688628      1.715096      8.331684
  H      -5.542434     -1.624913      4.260650
  H     -10.066607     -1.000642      4.062815
  H     -11.736074      0.250956      5.438136
  H     -10.985748      1.548433      7.422095
  H      -8.615294      1.618079      8.046568
  N      -2.558585      3.704613      4.537324
  H      -2.972417      4.143224      3.714924
91
Coordinates from ORCA-job orca E -6200.026949717493
  N      -2.516067      4.464111      7.254368
  Mo     -2.133439      2.885806      6.023565
  N      -2.429418      1.398572      7.487163
  C      -1.371956      1.290239      8.480108
  C      -0.692735      2.625977      8.774753
  N      -0.294760      3.306013      7.522499
  C      -0.200842      4.769327      7.680238
  C      -1.600014      5.332792      7.907380
  C       0.961955      2.767086      6.956869
  C       0.754125      2.690386      5.448199
  N      -0.481889      2.001749      5.261020
  H      -1.639273      6.372191      7.511992
  H      -1.814524      5.418067      8.996809
  H       0.228049      5.162397      6.748708
  H       0.484004      5.019515      8.509438
  H       1.596052      2.163686      4.966452
  H       0.717652      3.710987      5.016510
  H       1.102343      1.748426      7.341665
  H       1.819265      3.385923      7.276260
  H      -1.776108      0.913479      9.438129
  H      -0.609230      0.546153      8.158830
  H      -1.396524      3.283452      9.298656
  H       0.193155      2.480441      9.418827
  C      -3.905951      4.816947      7.295548
  C      -4.722700      4.012299      6.333560
  C      -5.973153      4.282736      5.922180
  C      -6.738319      3.476199      4.982104
  N      -6.081604      2.576857      4.243727
  C      -6.790562      1.882651      3.329331
  N      -8.072918      1.989060      3.048632
  C      -8.777201      2.885056      3.801597
  C     -10.161688      3.047989      3.554336
  C     -10.898467      3.946376      4.291900
  C     -10.286687      4.709421      5.310572
  C      -8.939989      4.572359      5.570696
  C      -8.152406      3.670428      4.816901
  C      -0.503999      0.717141      4.593459
  C      -1.361204     -0.329124      5.239684
  C      -2.338136     -1.074636      4.678833
  C      -2.982998     -0.899407      3.380410
  N      -3.025533      0.324553      2.846139
  C      -3.718633      0.486220      1.702302
  N      -4.403507     -0.418030      1.032262
  C      -4.357468     -1.687877      1.533765
  C      -5.059762     -2.713571      0.857125
  C      -5.011804     -4.009225      1.319624
  C      -4.254693     -4.330530      2.467353
  C      -3.571794     -3.348421      3.153258
  C      -3.621606     -2.003364      2.717007
  C      -3.497666      0.423756      7.655748
  C      -4.704397      1.099405      8.230244
  C      -5.986748      1.059251      7.797306
  C      -6.554855      0.281125      6.697912
  N      -5.754111     -0.472822      5.937790
  C      -6.297160     -1.155693      4.913475
  N      -7.560288     -1.200273      4.548708
  C      -8.417558     -0.453025      5.304334
  C      -9.792735     -0.463650      4.970821
  C     -10.693000      0.266716      5.711367
  C     -10.255869      1.033587      6.812194
  C      -8.921994      1.063986      7.157964
  C      -7.967810      0.324994      6.417643
  H      -4.070628      5.900883      7.109349
  H      -4.307478      4.613570      8.316927
  H      -4.290278      3.044518      5.985520
  H      -6.444654      5.196882      6.292554
  H      -6.216748      1.156966      2.745474
  H     -10.612179      2.438898      2.771735
  H     -11.963754      4.068052      4.096728
  H     -10.885925      5.407401      5.894191
  H      -8.484446      5.158524      6.366886
  H       0.525509      0.303656      4.625634
  H      -0.785230      0.825075      3.531226
  H      -1.081291     -0.581072      6.264616
  H      -2.721506     -1.905379      5.272789
  H      -3.728790      1.504130      1.302049
  H      -5.626008     -2.439346     -0.031882
  H      -5.554809     -4.795891      0.796545
  H      -4.210198     -5.363273      2.811903
  H      -2.982677     -3.621936      4.027102
  H      -3.171350     -0.378349      8.347291
  H      -3.754309     -0.048930      6.705079
  H      -4.497483      1.753165      9.083582
  H      -6.690082      1.702519      8.323300
  H      -5.584191     -1.731970      4.318805
  H     -10.100214     -1.058381      4.111892
  H     -11.749833      0.262197      5.446073
  H     -10.978935      1.610758      7.387180
  H      -8.608143      1.661575      8.011142
  N      -2.581796      3.673579      4.521540
  H      -3.021291      4.087898      3.700084
91
Coordinates from ORCA-job orca E -6200.030500340641
  N      -2.504423      4.465946      7.241190
  Mo     -2.109699      2.884139      6.021288
  N      -2.418036      1.396443      7.483464
  C      -1.369009      1.288904      8.482849
  C      -0.698880      2.626791      8.788007
  N      -0.284799      3.307102      7.542205
  C      -0.194135      4.770512      7.695950
  C      -1.595921      5.334256      7.905823
  C       0.978567      2.767733      6.991971
  C       0.786293      2.691211      5.481370
  N      -0.448490      2.004276      5.281527
  H      -1.630334      6.374208      7.512322
  H      -1.823813      5.417970      8.992483
  H       0.243741      5.160446      6.767201
  H       0.482426      5.025890      8.530549
  H       1.631617      2.163867      5.006181
  H       0.757696      3.712597      5.051037
  H       1.115064      1.749390      7.378820
  H       1.832179      3.386604      7.321064
  H      -1.778854      0.906988      9.436621
  H      -0.599944      0.549261      8.165879
  H      -1.411919      3.281879      9.302239
  H       0.177620      2.482871      9.445429
  C      -3.893884      4.820972      7.262640
  C      -4.705472      4.001119      6.310421
  C      -5.954788      4.266894      5.891979
  C      -6.714333      3.440179      4.965905
  N      -6.053571      2.515279      4.262886
  C      -6.753923      1.797761      3.360535
  N      -8.032663      1.900778      3.062320
  C      -8.741857      2.822472      3.779309
  C     -10.123068      2.981125      3.512669
  C     -10.865338      3.902240      4.216193
  C     -10.262314      4.693037      5.218655
  C      -8.918575      4.561038      5.496597
  C      -8.125546      3.635217      4.778398
  C      -0.478877      0.738414      4.581558
  C      -1.331530     -0.317910      5.218919
  C      -2.325332     -1.046920      4.665854
  C      -3.001606     -0.844126      3.387925
  N      -3.054335      0.390677      2.880123
  C      -3.774243      0.576388      1.756699
  N      -4.477346     -0.312805      1.085543
  C      -4.425263     -1.592017      1.561890
  C      -5.149381     -2.601926      0.884668
  C      -5.097469     -3.905802      1.323334
  C      -4.314851     -4.251230      2.446595
  C      -3.609421     -3.284979      3.132331
  C      -3.661848     -1.932401      2.720397
  C      -3.487986      0.422855      7.637316
  C      -4.693833      1.092246      8.221893
  C      -5.980928      1.040631      7.803963
  C      -6.557447      0.244680      6.722728
  N      -5.765453     -0.538663      5.982776
  C      -6.316834     -1.243397      4.977897
  N      -7.581250     -1.286645      4.617267
  C      -8.429999     -0.510094      5.353001
  C      -9.805371     -0.514983      5.020302
  C     -10.696364      0.250174      5.736684
  C     -10.249168      1.047788      6.811130
  C      -8.915040      1.071994      7.156430
  C      -7.970204      0.296910      6.441312
  H      -4.057244      5.902130      7.059785
  H      -4.304364      4.633952      8.283651
  H      -4.276059      3.029119      5.974328
  H      -6.426725      5.189219      6.240454
  H      -6.176356      1.052023      2.806024
  H     -10.566886      2.350242      2.743705
  H     -11.928209      4.020581      4.006480
  H     -10.865871      5.409143      5.775202
  H      -8.470205      5.169104      6.280253
  H       0.549430      0.320872      4.595109
  H      -0.769383      0.870055      3.524350
  H      -1.035242     -0.589524      6.234217
  H      -2.702086     -1.884356      5.254668
  H      -3.791371      1.602015      1.376951
  H      -5.736069     -2.309184      0.015066
  H      -5.657837     -4.680219      0.800352
  H      -4.268858     -5.289918      2.772507
  H      -3.002274     -3.575833      3.988043
  H      -3.163000     -0.391137      8.315580
  H      -3.746449     -0.036390      6.680260
  H      -4.481210      1.754230      9.067341
  H      -6.681765      1.685063      8.331665
  H      -5.610730     -1.842815      4.397855
  H     -10.120230     -1.131990      4.180027
  H     -11.753060      0.251036      5.470959
  H     -10.964375      1.654126      7.365441
  H      -8.593317      1.695113      7.988020
  N      -2.585573      3.627856      4.506498
  H      -3.050788      4.011188      3.684261
91
Coordinates from ORCA-job orca E -6200.033515603822
  N      -2.495376      4.475497      7.235650
  Mo     -2.098740      2.891306      6.022637
  N      -2.414987      1.400693      7.479529
  C      -1.371119      1.289226      8.481468
  C      -0.705621      2.627580      8.796667
  N      -0.280137      3.308999      7.556395
  C      -0.187432      4.771962      7.708471
  C      -1.588899      5.339661      7.908977
  C       0.985433      2.766551      7.014953
  C       0.802132      2.692844      5.503271
  N      -0.434352      2.011711      5.294962
  H      -1.617608      6.380803      7.519001
  H      -1.824730      5.420639      8.993986
  H       0.256128      5.159339      6.781302
  H       0.485380      5.028614      8.545807
  H       1.647332      2.162557      5.031142
  H       0.782608      3.715379      5.075254
  H       1.116787      1.747617      7.401757
  H       1.838598      3.382505      7.350412
  H      -1.783902      0.901198      9.431656
  H      -0.598781      0.552999      8.164219
  H      -1.423799      3.281078      9.305685
  H       0.164209      2.482103      9.462699
  C      -3.883191      4.835474      7.247145
  C      -4.696210      4.005559      6.305985
  C      -5.946013      4.271603      5.888014
  C      -6.710904      3.432844      4.977958
  N      -6.057534      2.484620      4.299040
  C      -6.762205      1.752561      3.412312
  N      -8.039327      1.859830      3.109090
  C      -8.741523      2.805515      3.801340
  C     -10.120809      2.968804      3.528690
  C     -10.856571      3.912339      4.209077
  C     -10.248489      4.721689      5.193297
  C      -8.906181      4.585654      5.476321
  C      -8.119816      3.636265      4.782150
  C      -0.475264      0.762315      4.567920
  C      -1.327170     -0.299108      5.198850
  C      -2.325444     -1.023567      4.647897
  C      -3.004584     -0.819726      3.371881
  N      -3.048109      0.413202      2.858729
  C      -3.766774      0.598994      1.734724
  N      -4.476931     -0.287763      1.068023
  C      -4.436974     -1.564596      1.551703
  C      -5.171700     -2.571502      0.881710
  C      -5.132399     -3.872935      1.329001
  C      -4.352282     -4.218894      2.453688
  C      -3.636275     -3.255324      3.132215
  C      -3.675632     -1.905197      2.711298
  C      -3.485677      0.427410      7.617171
  C      -4.692270      1.087658      8.210966
  C      -5.981784      1.023876      7.802665
  C      -6.557553      0.213371      6.733043
  N      -5.766625     -0.593795      6.017286
  C      -6.316938     -1.318137      5.025967
  N      -7.579660     -1.362161      4.659725
  C      -8.427383     -0.562010      5.371200
  C      -9.800550     -0.565438      5.029832
  C     -10.690021      0.226051      5.719014
  C     -10.243160      1.049931      6.773370
  C      -8.911250      1.072631      7.127091
  C      -7.968113      0.269956      6.440754
  H      -4.043583      5.914648      7.031782
  H      -4.297018      4.662599      8.269334
  H      -4.272174      3.029553      5.977308
  H      -6.412918      5.201593      6.222050
  H      -6.190490      0.988793      2.876965
  H     -10.568623      2.323281      2.774494
  H     -11.918088      4.034216      3.995120
  H     -10.846920      5.455656      5.731628
  H      -8.454164      5.208463      6.246022
  H       0.551123      0.340003      4.566362
  H      -0.773112      0.913236      3.515295
  H      -1.028258     -0.575601      6.212102
  H      -2.704296     -1.858983      5.238125
  H      -3.776261      1.622884      1.350201
  H      -5.756621     -2.278644      0.011085
  H      -5.701258     -4.644975      0.811925
  H      -4.317048     -5.255652      2.786723
  H      -3.032174     -3.545583      3.990193
  H      -3.161996     -0.399223      8.280688
  H      -3.744378     -0.016927      6.652769
  H      -4.477801      1.755296      9.051299
  H      -6.684166      1.666186      8.330658
  H      -5.612287     -1.937745      4.465694
  H     -10.114795     -1.202031      4.204200
  H     -11.744742      0.228408      5.445990
  H     -10.956531      1.678415      7.304666
  H      -8.589754      1.717690      7.941683
  N      -2.597676      3.599551      4.498253
  H      -3.083692      3.957987      3.676910
91
Coordinates from ORCA-job orca E -6200.036470948746
  N      -2.490755      4.479420      7.230506
  Mo     -2.084756      2.896452      6.022615
  N      -2.408170      1.399562      7.469886
  C      -1.370526      1.282980      8.475584
  C      -0.713667      2.622525      8.805838
  N      -0.276864      3.309868      7.573759
  C      -0.186943      4.772383      7.728533
  C      -1.590215      5.339543      7.917740
  C       0.993558      2.769270      7.041996
  C       0.822760      2.700356      5.528781
  N      -0.413702      2.022894      5.308162
  H      -1.615045      6.382970      7.534447
  H      -1.837224      5.413704      9.000604
  H       0.263390      5.161224      6.805185
  H       0.479237      5.029983      8.571008
  H       1.669943      2.169471      5.060832
  H       0.811084      3.724659      5.104657
  H       1.122241      1.749415      7.427089
  H       1.843854      3.384208      7.386327
  H      -1.786731      0.885030      9.420323
  H      -0.592804      0.552927      8.156779
  H      -1.439661      3.270890      9.310330
  H       0.148732      2.475873      9.481417
  C      -3.878272      4.840363      7.230568
  C      -4.688094      4.000181      6.296460
  C      -5.937315      4.264048      5.874120
  C      -6.698941      3.414998      4.971202
  N      -6.044418      2.452321      4.313545
  C      -6.743959      1.710361      3.431268
  N      -8.017440      1.819538      3.113616
  C      -8.721278      2.779881      3.783628
  C     -10.097373      2.943988      3.496345
  C     -10.835683      3.899829      4.156787
  C     -10.233127      4.721315      5.134300
  C      -8.893649      4.584956      5.430872
  C      -8.104916      3.622036      4.758376
  C      -0.460877      0.792796      4.550557
  C      -1.308396     -0.276985      5.173739
  C      -2.312536     -0.995427      4.626032
  C      -2.999010     -0.786915      3.354873
  N      -3.029248      0.443832      2.835544
  C      -3.752558      0.633188      1.715127
  N      -4.479184     -0.247439      1.057929
  C      -4.455440     -1.521611      1.549705
  C      -5.210176     -2.521818      0.892054
  C      -5.187470     -3.820607      1.348508
  C      -4.404595     -4.170635      2.470014
  C      -3.668864     -3.213318      3.136328
  C      -3.690740     -1.865923      2.705880
  C      -3.478096      0.424288      7.588905
  C      -4.683085      1.071352      8.201184
  C      -5.977895      0.998333      7.811213
  C      -6.563177      0.182174      6.752035
  N      -5.781058     -0.640112      6.043122
  C      -6.341542     -1.372870      5.063445
  N      -7.606732     -1.413809      4.705107
  C      -8.445470     -0.598793      5.410452
  C      -9.820245     -0.596842      5.075543
  C     -10.700466      0.212088      5.756544
  C     -10.242021      1.049423      6.795170
  C      -8.908103      1.067671      7.141782
  C      -7.974549      0.246090      6.464672
  H      -4.038056      5.917435      7.004601
  H      -4.297019      4.678427      8.252605
  H      -4.265154      3.022458      5.974320
  H      -6.403956      5.198701      6.194814
  H      -6.171305      0.935265      2.913701
  H     -10.540967      2.288931      2.747936
  H     -11.894860      4.022298      3.931936
  H     -10.833474      5.465308      5.656478
  H      -8.446152      5.217480      6.195238
  H       0.564915      0.369535      4.531459
  H      -0.768070      0.965125      3.503898
  H      -1.004587     -0.560055      6.183856
  H      -2.692577     -1.829396      5.217504
  H      -3.750501      1.655032      1.324850
  H      -5.797170     -2.226219      0.023770
  H      -5.772097     -4.587384      0.841320
  H      -4.383381     -5.205317      2.810581
  H      -3.063745     -3.505514      3.992955
  H      -3.152574     -0.418285      8.231318
  H      -3.740080     -0.000065      6.615921
  H      -4.462091      1.739257      9.039499
  H      -6.677259      1.635026      8.349936
  H      -5.644492     -2.004161      4.506628
  H     -10.143249     -1.243416      4.261145
  H     -11.756446      0.218298      5.488532
  H     -10.947640      1.692716      7.319017
  H      -8.577465      1.724975      7.942823
  N      -2.602456      3.571839      4.488550
  H      -3.105701      3.906107      3.667424
91
Coordinates from ORCA-job orca E -6200.039272109843
  N      -2.481960      4.487733      7.229975
  Mo     -2.072243      2.904150      6.027787
  N      -2.404635      1.404479      7.468123
  C      -1.372577      1.281927      8.476958
  C      -0.719455      2.620366      8.817804
  N      -0.271872      3.310643      7.591761
  C      -0.181144      4.772560      7.748262
  C      -1.584465      5.342216      7.928848
  C       1.001077      2.769103      7.066776
  C       0.839539      2.705686      5.552396
  N      -0.398239      2.033915      5.321793
  H      -1.603978      6.387774      7.551782
  H      -1.840277      5.410621      9.009928
  H       0.274987      5.161261      6.827645
  H       0.480637      5.030008      8.594351
  H       1.686776      2.172937      5.086605
  H       0.836385      3.731971      5.132746
  H       1.125949      1.748088      7.449771
  H       1.850286      3.381421      7.418211
  H      -1.792377      0.877350      9.417435
  H      -0.592068      0.555079      8.157320
  H      -1.450464      3.266751      9.317582
  H       0.136256      2.471422      9.501528
  C      -3.868484      4.851582      7.221706
  C      -4.678414      4.001156      6.297590
  C      -5.927653      4.262964      5.873207
  C      -6.689040      3.400660      4.983047
  N      -6.037066      2.416239      4.355282
  C      -6.734294      1.658723      3.484953
  N      -8.003787      1.770488      3.152740
  C      -8.705482      2.753391      3.791719
  C     -10.077308      2.921354      3.487414
  C     -10.813780      3.899044      4.117322
  C     -10.213446      4.739595      5.079797
  C      -8.877862      4.599992      5.392201
  C      -8.091104      3.614034      4.751653
  C      -0.456138      0.827590      4.528088
  C      -1.299698     -0.253400      5.138456
  C      -2.307524     -0.968519      4.592476
  C      -3.004262     -0.758573      3.327100
  N      -3.028540      0.469409      2.800903
  C      -3.761153      0.658764      1.686675
  N      -4.501960     -0.218831      1.041564
  C      -4.485999     -1.490024      1.541119
  C      -5.257469     -2.486724      0.897814
  C      -5.242800     -3.782766      1.362328
  C      -4.451249     -4.133678      2.477313
  C      -3.699060     -3.179548      3.129687
  C      -3.712708     -1.834575      2.691365
  C      -3.476493      0.431263      7.570977
  C      -4.680291      1.067881      8.196801
  C      -5.978060      0.982795      7.819646
  C      -6.563348      0.153753      6.771522
  N      -5.782504     -0.688702      6.084618
  C      -6.342665     -1.439145      5.118170
  N      -7.606566     -1.481239      4.755553
  C      -8.443761     -0.645638      5.438472
  C      -9.816771     -0.642905      5.096611
  C     -10.695016      0.188262      5.753025
  C     -10.236039      1.048264      6.772623
  C      -8.903758      1.066199      7.125555
  C      -7.972538      0.221321      6.474493
  H      -4.026446      5.926357      6.983856
  H      -4.289979      4.702743      8.244649
  H      -4.258468      3.020618      5.982393
  H      -6.392386      5.203433      6.178786
  H      -6.163447      0.866284      2.992262
  H     -10.519349      2.251606      2.751290
  H     -11.869773      4.024367      3.879732
  H     -10.812359      5.501106      5.577692
  H      -8.432213      5.247832      6.144633
  H       0.568105      0.402112      4.486934
  H      -0.774171      1.028148      3.489909
  H      -0.990272     -0.545945      6.144212
  H      -2.683670     -1.804057      5.184000
  H      -3.753944      1.678241      1.290473
  H      -5.850931     -2.190799      0.034122
  H      -5.840612     -4.546714      0.866510
  H      -4.436882     -5.166291      2.824285
  H      -3.088032     -3.471774      3.981975
  H      -3.151999     -0.425945      8.194537
  H      -3.741124      0.025301      6.590653
  H      -4.455752      1.740008      9.030637
  H      -6.678311      1.615665      8.361649
  H      -5.647105     -2.086803      4.578410
  H     -10.139959     -1.306699      4.296332
  H     -11.749506      0.194906      5.479452
  H     -10.939633      1.709730      7.276053
  H      -8.572533      1.742496      7.910353
  N      -2.612479      3.548399      4.488528
  H      -3.134688      3.859712      3.670277
91
Coordinates from ORCA-job orca E -6200.041899247753
  N      -2.476850      4.495894      7.229663
  Mo     -2.062587      2.912478      6.032627
  N      -2.400716      1.406989      7.462350
  C      -1.373837      1.276820      8.473540
  C      -0.726251      2.615338      8.827925
  N      -0.269966      3.310887      7.609004
  C      -0.179135      4.772258      7.768587
  C      -1.582628      5.343967      7.941173
  C       1.005539      2.769199      7.090279
  C       0.853538      2.711800      5.574720
  N      -0.385668      2.045975      5.333976
  H      -1.597034      6.391947      7.571270
  H      -1.847363      5.405557      9.020419
  H       0.282582      5.162031      6.851156
  H       0.478104      5.028785      8.618597
  H       1.700904      2.176935      5.111524
  H       0.859012      3.739973      5.159521
  H       1.126927      1.746894      7.470747
  H       1.853565      3.378914      7.448823
  H      -1.796572      0.863399      9.408971
  H      -0.590086      0.554429      8.151373
  H      -1.462587      3.257872      9.324887
  H       0.123467      2.463790      9.518679
  C      -3.862713      4.861758      7.214568
  C      -4.672097      4.002291      6.298772
  C      -5.920810      4.262375      5.870907
  C      -6.679475      3.389353      4.989093
  N      -6.027475      2.388766      4.387043
  C      -6.719817      1.619073      3.523964
  N      -7.985075      1.731703      3.176332
  C      -8.687277      2.731035      3.788711
  C     -10.055025      2.900036      3.467535
  C     -10.792560      3.893252      4.071507
  C     -10.197220      4.749143      5.023502
  C      -8.865437      4.608894      5.351793
  C      -8.077744      3.606370      4.738713
  C      -0.452806      0.863059      4.507055
  C      -1.291249     -0.228278      5.106489
  C      -2.301204     -0.941568      4.562009
  C      -3.004450     -0.732644      3.300135
  N      -3.018151      0.490607      2.762523
  C      -3.755956      0.677917      1.651404
  N      -4.510635     -0.197101      1.018989
  C      -4.506359     -1.463604      1.530556
  C      -5.293268     -2.457401      0.901636
  C      -5.289665     -3.749313      1.377827
  C      -4.493927     -4.099058      2.490136
  C      -3.727013     -3.147342      3.128818
  C      -3.729324     -1.806165      2.678839
  C      -3.472872      0.433682      7.547540
  C      -4.674145      1.056329      8.192758
  C      -5.976000      0.961049      7.832625
  C      -6.565774      0.125866      6.792905
  N      -5.789322     -0.730247      6.117542
  C      -6.354004     -1.489922      5.160687
  N      -7.618482     -1.530452      4.799682
  C      -8.450831     -0.680624      5.470980
  C      -9.823626     -0.673703      5.128355
  C     -10.696335      0.174237      5.770742
  C     -10.231616      1.047697      6.776164
  C      -8.899342      1.061805      7.129519
  C      -7.974089      0.199162      6.493505
  H      -4.019349      5.934399      6.966457
  H      -4.286548      4.724198      8.238176
  H      -4.253898      3.019701      5.989646
  H      -6.384826      5.207184      6.163398
  H      -6.148749      0.813892      3.052865
  H     -10.493305      2.218545      2.740037
  H     -11.845491      4.019342      3.821191
  H     -10.796911      5.523234      5.500588
  H      -8.423839      5.269061      6.095811
  H       0.570223      0.437284      4.443922
  H      -0.782743      1.089723      3.478152
  H      -0.977896     -0.526944      6.109359
  H      -2.674902     -1.777242      5.154753
  H      -3.739493      1.693412      1.245307
  H      -5.889465     -2.162793      0.039407
  H      -5.899462     -4.510945      0.893234
  H      -4.488519     -5.128600      2.846300
  H      -3.113264     -3.438079      3.979588
  H      -3.146971     -0.439683      8.147738
  H      -3.741974      0.049534      6.559214
  H      -4.443859      1.728454      9.024901
  H      -6.674920      1.587286      8.384004
  H      -5.662686     -2.148666      4.628843
  H     -10.151050     -1.347532      4.338271
  H     -11.750577      0.184040      5.496388
  H     -10.930429      1.723043      7.267646
  H      -8.563342      1.749998      7.901906
  N      -2.617593      3.525596      4.485312
  H      -3.153220      3.814345      3.667480
91
Coordinates from ORCA-job orca E -6200.044389670771
  N      -2.469907      4.504302      7.229918
  Mo     -2.053012      2.919456      6.039355
  N      -2.398634      1.411997      7.461681
  C      -1.376884      1.274876      8.475588
  C      -0.731844      2.611992      8.839466
  N      -0.267022      3.310346      7.625763
  C      -0.174961      4.771222      7.787413
  C      -1.578070      5.345859      7.952807
  C       1.010273      2.767535      7.112116
  C       0.866449      2.715047      5.595632
  N      -0.374571      2.055471      5.346296
  H      -1.587044      6.396015      7.589501
  H      -1.850866      5.401415      9.030290
  H       0.291895      5.161081      6.872578
  H       0.478515      5.026939      8.640663
  H       1.713290      2.177318      5.134718
  H       0.880543      3.744802      5.184237
  H       1.128290      1.744206      7.490604
  H       1.857620      3.374671      7.476427
  H      -1.803154      0.855694      9.406975
  H      -0.591352      0.554755      8.152453
  H      -1.472115      3.252841      9.332812
  H       0.112232      2.457908      9.536717
  C      -3.855090      4.872305      7.209586
  C      -4.664807      4.003406      6.303342
  C      -5.912997      4.261277      5.871980
  C      -6.668730      3.376246      4.999756
  N      -6.016804      2.358425      4.426885
  C      -6.703520      1.575101      3.572149
  N      -7.963768      1.688161      3.206998
  C      -8.666295      2.705287      3.789003
  C     -10.028955      2.875623      3.447878
  C     -10.767178      3.886277      4.021380
  C     -10.177490      4.759238      4.961324
  C      -8.850540      4.618073      5.308498
  C      -8.062312      3.597028      4.727545
  C      -0.452685      0.898326      4.484930
  C      -1.286968     -0.204129      5.070605
  C      -2.298853     -0.915317      4.526443
  C      -3.009717     -0.706386      3.268921
  N      -3.014238      0.512593      2.721426
  C      -3.758711      0.699085      1.614661
  N      -4.527603     -0.172483      0.994845
  C      -4.533201     -1.434870      1.516383
  C      -5.335162     -2.424998      0.900848
  C      -5.340726     -3.713521      1.386082
  C      -4.539348     -4.063575      2.494139
  C      -3.758239     -3.115036      3.120270
  C      -3.750783     -1.776899      2.661184
  C      -3.472938      0.441291      7.532315
  C      -4.670934      1.052824      8.194608
  C      -5.975942      0.946549      7.849823
  C      -6.566514      0.101690      6.819406
  N      -5.791097     -0.768762      6.161034
  C      -6.356237     -1.542011      5.215159
  N      -7.620165     -1.584395      4.852248
  C      -8.450951     -0.719438      5.506140
  C      -9.822597     -0.712064      5.159011
  C     -10.692810      0.153194      5.781587
  C     -10.226534      1.044237      6.770711
  C      -8.895332      1.058020      7.128285
  C      -7.973069      0.177274      6.513253
  H      -4.010395      5.942526      6.950450
  H      -4.280164      4.746906      8.234288
  H      -4.248607      3.018372      6.001028
  H      -6.376351      5.210504      6.150353
  H      -6.132134      0.756425      3.125453
  H     -10.462962      2.181199      2.730162
  H     -11.816232      4.013403      3.755894
  H     -10.777638      5.547522      5.413920
  H      -8.413470      5.292147      6.042625
  H       0.568370      0.471854      4.398122
  H      -0.794762      1.153845      3.466947
  H      -0.969994     -0.510629      6.070094
  H      -2.669013     -1.752427      5.119241
  H      -3.734291      1.710963      1.200158
  H      -5.935234     -2.130502      0.041304
  H      -5.962093     -4.472270      0.911841
  H      -4.541346     -5.090614      2.857427
  H      -3.140697     -3.405748      3.968212
  H      -3.147272     -0.446715      8.111016
  H      -3.747156      0.077267      6.537455
  H      -4.435434      1.727132      9.023387
  H      -6.674867      1.567220      8.407509
  H      -5.666332     -2.212208      4.695744
  H     -10.151055     -1.399157      4.380890
  H     -11.746032      0.163343      5.503445
  H     -10.922982      1.733723      7.245595
  H      -8.557653      1.760993      7.886571
  N      -2.625158      3.503147      4.486824
  H      -3.174751      3.770333      3.670957
91
Coordinates from ORCA-job orca E -6200.046742990568
  N      -2.463953      4.512780      7.229041
  Mo     -2.043363      2.926398      6.045474
  N      -2.395879      1.416335      7.459055
  C      -1.379939      1.272069      8.476286
  C      -0.738211      2.608358      8.850412
  N      -0.265220      3.309926      7.642281
  C      -0.172343      4.770360      7.806223
  C      -1.575163      5.347591      7.964090
  C       1.014136      2.766347      7.134144
  C       0.879591      2.718522      5.616649
  N      -0.363016      2.065106      5.358295
  H      -1.578723      6.400003      7.607760
  H      -1.856558      5.396699      9.039608
  H       0.299890      5.160600      6.894267
  H       0.476954      5.025156      8.663026
  H       1.726255      2.177543      5.159129
  H       0.902588      3.749576      5.208543
  H       1.128832      1.742061      7.510838
  H       1.860487      3.371106      7.504480
  H      -1.810273      0.846910      9.403202
  H      -0.592362      0.554347      8.152592
  H      -1.482722      3.247102      9.340190
  H       0.100196      2.451977      9.554100
  C      -3.848674      4.882071      7.203839
  C      -4.657868      4.003972      6.306291
  C      -5.905145      4.259348      5.870166
  C      -6.656914      3.362787      5.006257
  N      -6.004360      2.330055      4.461056
  C      -6.684994      1.533765      3.613956
  N      -7.940473      1.645525      3.232397
  C      -8.643999      2.677814      3.785777
  C     -10.001945      2.847366      3.426197
  C     -10.741511      3.872920      3.970838
  C     -10.157755      4.762377      4.898953
  C      -8.835360      4.622234      5.263688
  C      -8.045945      3.585365      4.713195
  C      -0.450946      0.933513      4.464792
  C      -1.280885     -0.179501      5.037141
  C      -2.294559     -0.888521      4.493258
  C      -3.012430     -0.679218      3.239963
  N      -3.004997      0.534657      2.681065
  C      -3.756057      0.721123      1.578765
  N      -4.541309     -0.145543      0.972827
  C      -4.559319     -1.403092      1.505634
  C      -5.378638     -2.387979      0.904732
  C      -5.396211     -3.672427      1.400354
  C      -4.589952     -4.023606      2.504424
  C      -3.792625     -3.079663      3.116954
  C      -3.772201     -1.745335      2.647206
  C      -3.471242      0.446869      7.513864
  C      -4.666238      1.045078      8.194329
  C      -5.974461      0.927906      7.865925
  C      -6.567289      0.076036      6.843453
  N      -5.794087     -0.805799      6.197448
  C      -6.361895     -1.589445      5.261427
  N      -7.626069     -1.632800      4.899314
  C      -8.453873     -0.755156      5.540054
  C      -9.825011     -0.745841      5.191028
  C     -10.691024      0.134987      5.797659
  C     -10.220838      1.040140      6.772002
  C      -8.890107      1.051765      7.131619
  C      -7.972590      0.154745      6.533473
  H      -4.003122      5.949791      6.934115
  H      -4.275002      4.768116      8.229396
  H      -4.242781      3.016777      6.010990
  H      -6.368595      5.212268      6.134923
  H      -6.112851      0.703444      3.190418
  H     -10.431393      2.140458      2.718019
  H     -11.786965      3.999474      3.691312
  H     -10.758822      5.562836      5.328344
  H      -8.403103      5.309764      5.988131
  H       0.568159      0.507533      4.354829
  H      -0.805140      1.216403      3.458391
  H      -0.960802     -0.493024      6.033589
  H      -2.661515     -1.726849      5.086189
  H      -3.721096      1.728591      1.154442
  H      -5.982009     -2.092953      0.047703
  H      -6.030814     -4.427115      0.937338
  H      -4.601608     -5.047617      2.875948
  H      -3.171996     -3.371038      3.962366
  H      -3.144909     -0.455672      8.069451
  H      -3.750071      0.104056      6.512419
  H      -4.425592      1.720293      9.020760
  H      -6.672752      1.541699      8.432051
  H      -5.674574     -2.268691      4.750419
  H     -10.156335     -1.443450      4.423555
  H     -11.743720      0.146767      5.517642
  H     -10.913614      1.742397      7.233337
  H      -8.548742      1.766689      7.877070
  N      -2.628552      3.480137      4.486383
  H      -3.188961      3.725511      3.671031
91
Coordinates from ORCA-job orca E -6200.049056396279
  N      -2.458801      4.519631      7.226524
  Mo     -2.033267      2.930911      6.051571
  N      -2.393018      1.419947      7.457481
  C      -1.383314      1.269401      8.478678
  C      -0.744945      2.604849      8.861689
  N      -0.263983      3.309031      7.658574
  C      -0.171223      4.769181      7.824283
  C      -1.574038      5.348130      7.974147
  C       1.017909      2.765500      7.156220
  C       0.893197      2.721375      5.637814
  N      -0.350432      2.073163      5.370544
  H      -1.572698      6.402795      7.624960
  H      -1.864541      5.390498      9.047484
  H       0.306319      5.159714      6.915168
  H       0.473542      5.023796      8.684663
  H       1.740144      2.177174      5.184525
  H       0.924682      3.753415      5.232287
  H       1.130146      1.740555      7.531627
  H       1.862668      3.368806      7.532370
  H      -1.818150      0.839274      9.401321
  H      -0.593675      0.553671      8.155438
  H      -1.493907      3.241745      9.347188
  H       0.087726      2.446972      9.571973
  C      -3.843435      4.888673      7.196796
  C      -4.651146      4.000250      6.308351
  C      -5.897235      4.252171      5.866197
  C      -6.643989      3.343881      5.009991
  N      -5.990358      2.297582      4.492166
  C      -6.664069      1.489484      3.651116
  N      -7.914232      1.599923      3.252000
  C      -8.619075      2.646071      3.776934
  C      -9.971544      2.815202      3.397182
  C     -10.712472      3.854902      3.912421
  C     -10.135398      4.759696      4.829842
  C      -8.818356      4.620152      5.213850
  C      -8.027779      3.568198      4.694496
  C      -0.447317      0.968548      4.444967
  C      -1.272132     -0.156014      5.002622
  C      -2.287822     -0.862283      4.458673
  C      -3.014565     -0.649928      3.211280
  N      -2.995483      0.559498      2.642862
  C      -3.755569      0.748637      1.547225
  N      -4.558910     -0.111172      0.955404
  C      -4.588620     -1.364682      1.497134
  C      -5.426686     -2.342454      0.910614
  C      -5.455389     -3.623720      1.413886
  C      -4.641934     -3.978788      2.511346
  C      -3.827234     -3.041201      3.110711
  C      -3.794811     -1.709777      2.633294
  C      -3.469787      0.452341      7.497694
  C      -4.660885      1.037663      8.196810
  C      -5.972215      0.910396      7.885508
  C      -6.567973      0.052579      6.870538
  N      -5.797404     -0.839890      6.235876
  C      -6.368876     -1.633692      5.310261
  N      -7.633699     -1.678220      4.950346
  C      -8.457920     -0.788193      5.578592
  C      -9.828957     -0.777176      5.229250
  C     -10.690086      0.118776      5.820771
  C     -10.214928      1.037722      6.779688
  C      -8.884313      1.047226      7.140045
  C      -7.972262      0.134377      6.557925
  H      -3.998128      5.953452      6.915838
  H      -4.270692      4.786357      8.223236
  H      -4.236235      3.011049      6.021067
  H      -6.361405      5.208467      6.116642
  H      -6.090663      0.649167      3.249577
  H     -10.395795      2.096740      2.697545
  H     -11.753744      3.981160      3.617545
  H     -10.737343      5.571771      5.235570
  H      -8.391543      5.320347      5.929380
  H       0.569924      0.544737      4.311091
  H      -0.814038      1.279220      3.451449
  H      -0.948079     -0.478034      5.995251
  H      -2.650482     -1.703166      5.050473
  H      -3.710525      1.752260      1.114785
  H      -6.035015     -2.044772      0.058015
  H      -6.104187     -4.372960      0.961824
  H      -4.662473     -5.000469      2.888861
  H      -3.201825     -3.335436      3.951578
  H      -3.142939     -0.464249      8.029702
  H      -3.753882      0.130884      6.490354
  H      -4.414388      1.713562      9.020857
  H      -6.669168      1.516999      8.461077
  H      -5.684708     -2.321760      4.807022
  H     -10.164030     -1.485129      4.472925
  H     -11.742589      0.132026      5.540056
  H     -10.903552      1.752339      7.228123
  H      -8.538309      1.773685      7.872184
  N      -2.632254      3.452713      4.486511
  H      -3.203278      3.674706      3.671835
91
Coordinates from ORCA-job orca E -6200.051128924617
  N      -2.452762      4.527971      7.220968
  Mo     -2.024018      2.933268      6.058757
  N      -2.390833      1.425545      7.461005
  C      -1.387295      1.271053      8.486486
  C      -0.751272      2.606524      8.874122
  N      -0.262824      3.309284      7.673610
  C      -0.168819      4.769582      7.836894
  C      -1.571072      5.351704      7.978102
  C       1.020758      2.763015      7.178103
  C       0.905374      2.718488      5.658942
  N      -0.339857      2.075867      5.384496
  H      -1.564388      6.407546      7.632949
  H      -1.869897      5.390738      9.049237
  H       0.313733      5.157485      6.929264
  H       0.472130      5.025790      8.699736
  H       1.752065      2.169112      5.211327
  H       0.946041      3.750269      5.253147
  H       1.129587      1.738323      7.555003
  H       1.864660      3.365039      7.558036
  H      -1.826790      0.839198      9.406206
  H      -0.596317      0.555653      8.165740
  H      -1.503838      3.243551      9.353950
  H       0.076073      2.448743      9.590724
  C      -3.837226      4.897218      7.187141
  C      -4.644065      3.997530      6.309507
  C      -5.888545      4.245917      5.860485
  C      -6.630223      3.325392      5.012885
  N      -5.975001      2.267025      4.521960
  C      -6.641755      1.446498      3.687818
  N      -7.887149      1.553444      3.273000
  C      -8.593834      2.611821      3.770290
  C      -9.941423      2.778125      3.372449
  C     -10.684185      3.830174      3.859273
  C     -10.113698      4.750704      4.765076
  C      -8.801483      4.614044      5.166365
  C      -8.009231      3.549074      4.676921
  C      -0.445540      0.995724      4.431252
  C      -1.271277     -0.136408      4.972962
  C      -2.289631     -0.837008      4.426114
  C      -3.019648     -0.620342      3.181650
  N      -2.981995      0.583623      2.602433
  C      -3.745030      0.777144      1.509655
  N      -4.566118     -0.073259      0.928782
  C      -4.614221     -1.321858      1.480388
  C      -5.471081     -2.289766      0.904771
  C      -5.517963     -3.567003      1.416754
  C      -4.704644     -3.927816      2.512336
  C      -3.872691     -2.999242      3.102001
  C      -3.821009     -1.671500      2.615732
  C      -3.469103      0.460146      7.489803
  C      -4.656849      1.034078      8.204608
  C      -5.970424      0.895893      7.908552
  C      -6.566903      0.030884      6.900783
  N      -5.796692     -0.870111      6.277719
  C      -6.369395     -1.674532      5.361723
  N      -7.634425     -1.722447      5.002783
  C      -8.457339     -0.822104      5.618017
  C      -9.827925     -0.811748      5.266948
  C     -10.686350      0.097084      5.842813
  C     -10.208849      1.029892      6.787087
  C      -8.878779      1.039534      7.149645
  C      -7.970003      0.113186      6.584193
  H      -3.991840      5.958484      6.893180
  H      -4.264837      4.808385      8.214715
  H      -4.229717      3.005560      6.032524
  H      -6.353100      5.205850      6.095268
  H      -6.066745      0.597343      3.307838
  H     -10.360509      2.047740      2.682127
  H     -11.721703      3.954295      3.550634
  H     -10.716871      5.572845      5.148043
  H      -8.380127      5.327064      5.872411
  H       0.568874      0.571212      4.278743
  H      -0.819699      1.332159      3.449082
  H      -0.947913     -0.466831      5.963184
  H      -2.653103     -1.678595      5.016230
  H      -3.684609      1.776058      1.068445
  H      -6.078690     -1.988023      0.053106
  H      -6.180952     -4.308670      0.972918
  H      -4.739567     -4.946531      2.896712
  H      -3.248281     -3.298053      3.941927
  H      -3.141953     -0.467882      8.001583
  H      -3.757757      0.156796      6.477955
  H      -4.405886      1.711816      9.025687
  H      -6.667037      1.495691      8.491710
  H      -5.686552     -2.369780      4.866827
  H     -10.164718     -1.530030      4.521197
  H     -11.738380      0.109948      5.560353
  H     -10.895069      1.754981      7.222191
  H      -8.530101      1.777379      7.869069
  N      -2.634224      3.420996      4.486704
  H      -3.213543      3.618991      3.671726
91
Coordinates from ORCA-job orca E -6200.053058185817
  N      -2.446831      4.536165      7.212382
  Mo     -2.016105      2.932619      6.066353
  N      -2.390162      1.432262      7.469023
  C      -1.392418      1.276143      8.498970
  C      -0.757437      2.611976      8.886890
  N      -0.262114      3.310046      7.686658
  C      -0.166263      4.770847      7.844214
  C      -1.567635      5.356712      7.976501
  C       1.022623      2.759708      7.198225
  C       0.915700      2.711404      5.678580
  N      -0.331207      2.073747      5.399036
  H      -1.555687      6.412942      7.633026
  H      -1.873992      5.394895      9.045511
  H       0.320743      5.153939      6.936886
  H       0.471552      5.030361      8.708477
  H       1.761873      2.155778      5.237592
  H       0.965300      3.741903      5.270057
  H       1.128060      1.736058      7.578725
  H       1.866050      3.361117      7.580030
  H      -1.836507      0.845520      9.417152
  H      -0.600820      0.559588      8.182338
  H      -1.512834      3.250871      9.359842
  H       0.065087      2.455838      9.609480
  C      -3.831237      4.905260      7.175405
  C      -4.637731      3.993219      6.310463
  C      -5.880518      4.237751      5.854306
  C      -6.617576      3.304973      5.016001
  N      -5.961084      2.235651      4.550889
  C      -6.621189      1.403836      3.722962
  N      -7.861684      1.507571      3.292728
  C      -8.569857      2.577004      3.763646
  C      -9.912342      2.740902      3.347973
  C     -10.656424      3.804290      3.807515
  C     -10.092201      4.739058      4.702609
  C      -8.785017      4.604845      5.120898
  C      -7.991640      3.527942      4.660182
  C      -0.444907      1.016046      4.421614
  C      -1.274760     -0.121078      4.947136
  C      -2.295438     -0.814607      4.395177
  C      -3.024656     -0.592190      3.151561
  N      -2.966102      0.606550      2.563044
  C      -3.728744      0.806341      1.471130
  N      -4.565854     -0.033248      0.897490
  C      -4.634105     -1.277363      1.456990
  C      -5.507420     -2.234266      0.887695
  C      -5.573951     -3.507994      1.406120
  C      -4.764647     -3.876173      2.502122
  C      -3.917764     -2.957776      3.086473
  C      -3.845316     -1.633281      2.593669
  C      -3.469907      0.469075      7.489410
  C      -4.654170      1.033492      8.218023
  C      -5.969553      0.884672      7.936342
  C      -6.566118      0.012333      6.935476
  N      -5.795584     -0.896012      6.323497
  C      -6.368985     -1.710817      5.416781
  N      -7.634101     -1.762517      5.058475
  C      -8.456344     -0.853004      5.661091
  C      -9.826480     -0.844006      5.308240
  C     -10.682873      0.076152      5.869253
  C     -10.203747      1.021920      6.799761
  C      -8.874236      1.032423      7.164547
  C      -7.968057      0.094206      6.614925
  H      -3.986189      5.962366      6.867034
  H      -4.258194      4.831288      8.204454
  H      -4.224084      2.998021      6.045585
  H      -6.345019      5.201519      6.072441
  H      -6.044910      0.546663      3.363539
  H     -10.326488      1.999726      2.666219
  H     -11.690026      3.926601      3.485309
  H     -10.696181      5.570441      5.063734
  H      -8.368843      5.329504      5.818157
  H       0.566392      0.589475      4.254190
  H      -0.823247      1.376151      3.449608
  H      -0.954842     -0.459767      5.935813
  H      -2.662520     -1.656387      4.982615
  H      -3.651204      1.800713      1.022561
  H      -6.111255     -1.927180      0.035256
  H      -6.249311     -4.241236      0.966963
  H      -4.815055     -4.892297      2.891611
  H      -3.297270     -3.262602      3.927102
  H      -3.142496     -0.468437      7.983625
  H      -3.763273      0.181011      6.474196
  H      -4.399097      1.713936      9.035515
  H      -6.665913      1.478533      8.525991
  H      -5.686865     -2.411936      4.929475
  H     -10.164490     -1.572009      4.572506
  H     -11.734465      0.088015      5.585095
  H     -10.888152      1.756149      7.222249
  H      -8.523370      1.780790      7.872000
  N      -2.638358      3.384165      4.487997
  H      -3.225804      3.557114      3.673160
91
Coordinates from ORCA-job orca E -6200.054799937349
  N      -2.441393      4.543642      7.201089
  Mo     -2.008378      2.929853      6.073285
  N      -2.389225      1.439233      7.478774
  C      -1.397099      1.283448      8.513426
  C      -0.763106      2.620348      8.899051
  N      -0.261596      3.311956      7.697784
  C      -0.164274      4.773492      7.847553
  C      -1.564893      5.362678      7.970504
  C       1.024283      2.757352      7.216922
  C       0.925708      2.702947      5.696932
  N      -0.322436      2.069017      5.413395
  H      -1.548286      6.418726      7.626970
  H      -1.878373      5.401679      9.037396
  H       0.326817      5.150662      6.939923
  H       0.470540      5.037655      8.712693
  H       1.771676      2.140874      5.263625
  H       0.983499      3.731386      5.283900
  H       1.126605      1.735299      7.602405
  H       1.867129      3.358923      7.599609
  H      -1.845681      0.855736      9.430859
  H      -0.604991      0.565171      8.202029
  H      -1.521163      3.261786      9.364335
  H       0.054984      2.467316      9.627384
  C      -3.826020      4.911530      7.161480
  C      -4.631783      3.986683      6.309694
  C      -5.872868      4.226771      5.846182
  C      -6.605594      3.282228      5.017144
  N      -5.948046      2.203367      4.575828
  C      -6.602005      1.361364      3.753544
  N      -7.837854      1.461803      3.309243
  C      -8.547368      2.540662      3.756150
  C      -9.884994      2.702026      3.324181
  C     -10.630097      3.775235      3.758714
  C     -10.071629      4.722705      4.644006
  C      -8.769254      4.590987      5.077875
  C      -7.975019      3.503865      4.643364
  C      -0.441923      1.029965      4.416434
  C      -1.278993     -0.109088      4.926654
  C      -2.302295     -0.793785      4.368198
  C      -3.026709     -0.564388      3.123338
  N      -2.941719      0.627984      2.524936
  C      -3.701568      0.836631      1.432764
  N      -4.557318      0.011512      0.865765
  C      -4.651576     -1.226964      1.433817
  C      -5.544972     -2.168875      0.870701
  C      -5.637950     -3.437708      1.396905
  C      -4.836178     -3.815762      2.494971
  C      -3.970631     -2.911460      3.073899
  C      -3.870271     -1.591680      2.573093
  C      -3.469798      0.477526      7.492311
  C      -4.651238      1.032673      8.232994
  C      -5.967861      0.872942      7.964234
  C      -6.563444     -0.006501      6.969402
  N      -5.791653     -0.920636      6.367645
  C      -6.364796     -1.745120      5.469227
  N      -7.629768     -1.801101      5.110939
  C      -8.452296     -0.884036      5.701686
  C      -9.821839     -0.877089      5.346522
  C     -10.677205      0.052483      5.893688
  C     -10.197632      1.009959      6.811955
  C      -8.868851      1.022002      7.179501
  C      -7.964220      0.073930      6.644644
  H      -3.982153      5.964072      6.838508
  H      -4.251842      4.852307      8.191965
  H      -4.218239      2.988363      6.057878
  H      -6.337369      5.194062      6.047676
  H      -6.024566      0.497425      3.412593
  H     -10.294585      1.951238      2.650235
  H     -11.659954      3.895669      3.424057
  H     -10.676214      5.562036      4.985173
  H      -8.357830      5.325924      5.767182
  H       0.566370      0.599974      4.239241
  H      -0.820653      1.410041      3.452368
  H      -0.965629     -0.454801      5.915110
  H      -2.677002     -1.633869      4.953111
  H      -3.602088      1.825361      0.976269
  H      -6.142419     -1.854493      0.016431
  H      -6.328554     -4.159425      0.962398
  H      -4.907564     -4.828184      2.890765
  H      -3.356848     -3.224352      3.916458
  H      -3.141654     -0.467828      7.971023
  H      -3.767338      0.202673      6.474391
  H      -4.393195      1.716164      9.046933
  H      -6.664513      1.461071      8.559395
  H      -5.682728     -2.451241      4.989415
  H     -10.160164     -1.613840      4.619678
  H     -11.728256      0.062797      5.607467
  H     -10.881048      1.751755      7.222684
  H      -8.516725      1.779751      7.876298
  N      -2.641884      3.344846      4.489033
  H      -3.236335      3.492637      3.674358
91
Coordinates from ORCA-job orca E -6200.056446941710
  N      -2.437774      4.549476      7.187923
  Mo     -2.001704      2.924991      6.079470
  N      -2.388418      1.445273      7.488814
  C      -1.401613      1.291081      8.528113
  C      -0.769026      2.629635      8.910075
  N      -0.262315      3.314279      7.707122
  C      -0.164395      4.776649      7.848238
  C      -1.564526      5.368100      7.961965
  C       1.024956      2.756285      7.233800
  C       0.934500      2.695034      5.713641
  N      -0.314073      2.063066      5.426790
  H      -1.544168      6.423808      7.617844
  H      -1.884852      5.408242      9.026773
  H       0.330253      5.147699      6.939991
  H       0.467508      5.046331      8.713881
  H       1.780861      2.127276      5.288392
  H       0.999097      3.721123      5.295410
  H       1.124938      1.736043      7.624572
  H       1.866857      3.358807      7.616965
  H      -1.854339      0.866939      9.445236
  H      -0.608896      0.571093      8.222299
  H      -1.529851      3.273530      9.367480
  H       0.045067      2.480841      9.643798
  C      -3.823010      4.914466      7.146897
  C      -4.627453      3.976688      6.308302
  C      -5.866853      4.212235      5.837417
  C      -6.596213      3.257573      5.016870
  N      -5.939087      2.169749      4.597173
  C      -6.588276      1.319728      3.779434
  N      -7.819450      1.418702      3.321882
  C      -8.528845      2.506413      3.747105
  C      -9.861451      2.667270      3.299725
  C     -10.605977      3.749900      3.711479
  C     -10.051829      4.707554      4.588493
  C      -8.754410      4.576272      5.037165
  C      -7.960889      3.479426      4.626398
  C      -0.436965      1.040754      4.412703
  C      -1.280208     -0.100052      4.908626
  C      -2.305256     -0.776438      4.343139
  C      -3.024062     -0.539061      3.096829
  N      -2.911887      0.646563      2.489209
  C      -3.669106      0.865483      1.397233
  N      -4.544475      0.056547      0.836930
  C      -4.665161     -1.176082      1.412586
  C      -5.579351     -2.101473      0.855474
  C      -5.698826     -3.365325      1.388242
  C      -4.903814     -3.754694      2.487179
  C      -4.018856     -2.865973      3.060778
  C      -3.890855     -1.551008      2.553541
  C      -3.469206      0.484290      7.496612
  C      -4.647754      1.030520      8.248870
  C      -5.965427      0.860696      7.992612
  C      -6.560537     -0.024591      7.003005
  N      -5.788097     -0.944009      6.410150
  C      -6.361800     -1.776842      5.519467
  N      -7.626701     -1.835880      5.161350
  C      -8.448862     -0.911699      5.741463
  C      -9.817939     -0.905756      5.384490
  C     -10.671723      0.032416      5.919595
  C     -10.191004      0.999738      6.826932
  C      -8.862800      1.012352      7.196691
  C      -7.960263      0.055236      6.674742
  H      -3.981761      5.962203      6.809960
  H      -4.246915      4.868939      8.178880
  H      -4.213215      2.975642      6.069789
  H      -6.330995      5.182804      6.022983
  H      -6.010903      0.449295      3.455068
  H     -10.267630      1.908764      2.632369
  H     -11.631958      3.870039      3.365003
  H     -10.655812      5.554455      4.911560
  H      -8.346595      5.319407      5.719829
  H       0.569107      0.608581      4.227669
  H      -0.815553      1.438194      3.455811
  H      -0.973341     -0.452227      5.896958
  H      -2.687417     -1.615310      4.924803
  H      -3.547056      1.848219      0.933349
  H      -6.170801     -1.778751      0.000142
  H      -6.405242     -4.074353      0.958276
  H      -4.996178     -4.763336      2.888267
  H      -3.411158     -3.187989      3.904307
  H      -3.139790     -0.468000      7.960669
  H      -3.771021      0.221544      6.476447
  H      -4.386824      1.716870      9.059427
  H      -6.661981      1.443434      8.593321
  H      -5.680519     -2.488071      5.046580
  H     -10.157159     -1.649894      4.665603
  H     -11.722354      0.041953      5.631765
  H     -10.873021      1.748450      7.227352
  H      -8.508846      1.777965      7.883942
  N      -2.646671      3.302143      4.490112
  H      -3.247669      3.423692      3.675943
91
Coordinates from ORCA-job orca E -6200.058066839050
  N      -2.435264      4.554777      7.172741
  Mo     -1.995876      2.919037      6.084958
  N      -2.388232      1.451227      7.498344
  C      -1.406715      1.298964      8.542327
  C      -0.775651      2.639476      8.919976
  N      -0.264288      3.316829      7.715021
  C      -0.166017      4.780030      7.847022
  C      -1.565684      5.373257      7.951514
  C       1.024483      2.755893      7.249294
  C       0.942271      2.687475      5.729075
  N      -0.306247      2.056416      5.439165
  H      -1.541898      6.428652      7.606896
  H      -1.892952      5.414367      9.014172
  H       0.331987      5.144796      6.938043
  H       0.463021      5.055607      8.712963
  H       1.789426      2.114404      5.312410
  H       1.013009      3.710969      5.305163
  H       1.122346      1.737535      7.645402
  H       1.865280      3.359647      7.632853
  H      -1.863508      0.878738      9.459293
  H      -0.613462      0.577215      8.242223
  H      -1.539299      3.285747      9.369360
  H       0.034657      2.495553      9.658873
  C      -3.821406      4.915563      7.131886
  C      -4.624131      3.964930      6.306508
  C      -5.861602      4.196382      5.827987
  C      -6.588690      3.233148      5.015415
  N      -5.933502      2.136547      4.615715
  C      -6.579539      1.280079      3.802209
  N      -7.806189      1.379065      3.332566
  C      -8.513944      2.475442      3.737858
  C      -9.841548      2.637415      3.276270
  C     -10.583836      3.729436      3.666911
  C     -10.032321      4.695575      4.536235
  C      -8.739827      4.563089      4.998594
  C      -7.948633      3.456625      4.609673
  C      -0.430813      1.049520      4.409607
  C      -1.278892     -0.093178      4.892219
  C      -2.304772     -0.762050      4.319368
  C      -3.017825     -0.515938      3.071792
  N      -2.879858      0.663119      2.456302
  C      -3.635404      0.893120      1.365460
  N      -4.530134      0.100984      0.811747
  C      -4.675363     -1.126216      1.393278
  C      -5.609898     -2.034593      0.841967
  C      -5.754170     -3.293698      1.379824
  C      -4.964689     -3.695022      2.478360
  C      -4.060707     -2.822345      3.046770
  C      -3.906770     -1.512124      2.534609
  C      -3.468799      0.490377      7.500539
  C      -4.644339      1.027083      8.264734
  C      -5.962940      0.847120      8.021389
  C      -6.558098     -0.043382      7.036747
  N      -5.785635     -0.968263      6.452459
  C      -6.360527     -1.808478      5.569127
  N      -7.625311     -1.869288      5.210902
  C      -8.446465     -0.937857      5.780761
  C      -9.815041     -0.931744      5.421906
  C     -10.666617      0.014959      5.945638
  C     -10.184124      0.990959      6.842734
  C      -8.856499      1.003063      7.214707
  C      -7.956717      0.036883      6.705038
  H      -3.984051      5.958325      6.781735
  H      -4.242467      4.882699      8.165528
  H      -4.208680      2.961491      6.081664
  H      -6.324689      5.170214      5.998072
  H      -6.003364      0.403489      3.492565
  H     -10.245634      1.872492      2.614985
  H     -11.605942      3.850550      3.309500
  H     -10.634447      5.549964      4.842616
  H      -8.334321      5.312964      5.675239
  H       0.573708      0.616458      4.217656
  H      -0.809532      1.462338      3.459556
  H      -0.978021     -0.451367      5.880359
  H      -2.693488     -1.600586      4.896972
  H      -3.492113      1.870041      0.895331
  H      -6.196378     -1.702975     -0.013373
  H      -6.476102     -3.989649      0.954296
  H      -5.076696     -4.700021      2.883561
  H      -3.458046     -3.153914      3.890194
  H      -3.137578     -0.468634      7.949401
  H      -3.775116      0.240004      6.478266
  H      -4.380533      1.716107      9.072035
  H      -6.659035      1.424380      8.628028
  H      -5.680719     -2.525366      5.103243
  H     -10.155657     -1.682377      4.710454
  H     -11.716808      0.024590      5.656197
  H     -10.864238      1.746568      7.233333
  H      -8.500176      1.775603      7.892951
  N      -2.652348      3.256144      4.490909
  H      -3.259209      3.349502      3.677391
91
Coordinates from ORCA-job orca E -6200.059504809460
  N      -2.431191      4.561210      7.157150
  Mo     -1.989625      2.914021      6.090030
  N      -2.388689      1.458901      7.507569
  C      -1.412596      1.308115      8.556478
  C      -0.781783      2.649969      8.929310
  N      -0.265477      3.319359      7.722076
  C      -0.165751      4.783303      7.845079
  C      -1.564624      5.379183      7.940393
  C       1.024273      2.754460      7.263899
  C       0.950131      2.678791      5.743594
  N      -0.298707      2.049297      5.450467
  H      -1.536823      6.434174      7.595082
  H      -1.898698      5.421696      9.000873
  H       0.335825      5.141509      6.935449
  H       0.460636      5.064209      8.711281
  H       1.797807      2.100070      5.335703
  H       1.027460      3.699493      5.313890
  H       1.119096      1.737896      7.665236
  H       1.864506      3.358711      7.647827
  H      -1.873880      0.892536      9.473344
  H      -0.619474      0.583861      8.262323
  H      -1.547561      3.299285      9.370697
  H       0.024807      2.510464      9.673106
  C      -3.818215      4.918515      7.116908
  C      -4.619536      3.955998      6.304173
  C      -5.854874      4.183644      5.818080
  C      -6.579925      3.211602      5.014358
  N      -5.926532      2.106386      4.635660
  C      -6.569601      1.242032      3.828190
  N      -7.792003      1.339670      3.347175
  C      -8.498221      2.444619      3.731474
  C      -9.821212      2.606007      3.256665
  C     -10.561580      3.706872      3.625711
  C     -10.012685      4.682632      4.485901
  C      -8.724710      4.550687      4.960905
  C      -7.935488      3.435239      4.594210
  C      -0.424302      1.054701      4.408430
  C      -1.280544     -0.087287      4.878147
  C      -2.307941     -0.747358      4.297424
  C      -3.013303     -0.492836      3.047439
  N      -2.847019      0.678164      2.423335
  C      -3.598513      0.919343      1.332133
  N      -4.513033      0.145756      0.784600
  C      -4.685958     -1.074441      1.373099
  C      -5.642138     -1.963622      0.827686
  C      -5.815166     -3.216152      1.372331
  C      -5.034045     -3.629715      2.472194
  C      -4.109579     -2.775236      3.035165
  C      -3.925411     -1.471587      2.516148
  C      -3.469706      0.498953      7.504727
  C      -4.642714      1.027097      8.279123
  C      -5.961652      0.835897      8.047562
  C      -6.554936     -0.062296      7.068965
  N      -5.780570     -0.992342      6.495533
  C      -6.354340     -1.842094      5.620335
  N      -7.618567     -1.907161      5.260836
  C      -8.440782     -0.969218      5.818433
  C      -9.808538     -0.965819      5.456453
  C     -10.660013     -0.011596      5.966768
  C     -10.178235      0.974972      6.852684
  C      -8.851537      0.989518      7.227970
  C      -7.952339      0.015430      6.732670
  H      -3.984431      5.956461      6.754469
  H      -4.236333      4.897533      8.152067
  H      -4.203059      2.950279      6.093202
  H      -6.316627      5.160632      5.972559
  H      -5.994511      0.359340      3.534319
  H     -10.223262      1.833794      2.602660
  H     -11.580088      3.827646      3.258093
  H     -10.613241      5.544025      4.775237
  H      -8.321480      5.308072      5.630471
  H       0.578329      0.618387      4.213448
  H      -0.799828      1.480653      3.463163
  H      -0.988092     -0.450573      5.867064
  H      -2.705862     -1.583753      4.871656
  H      -3.431921      1.889190      0.855225
  H      -6.221581     -1.622871     -0.028834
  H      -6.553716     -3.897279      0.951397
  H      -5.168928     -4.629624      2.882944
  H      -3.514235     -3.116748      3.879738
  H      -3.137394     -0.466021      7.939904
  H      -3.779938      0.260158      6.480661
  H      -4.377132      1.719855      9.082585
  H      -6.658276      1.408156      8.658427
  H      -5.674262     -2.564192      5.163367
  H     -10.148606     -1.724350      4.753169
  H     -11.709505     -0.004133      5.674774
  H     -10.858094      1.736632      7.231787
  H      -8.494847      1.770313      7.896512
  N      -2.656052      3.214034      4.492008
  H      -3.267096      3.280850      3.679036
91
Coordinates from ORCA-job orca E -6200.060797633633
  N      -2.427233      4.567583      7.143046
  Mo     -1.983614      2.910808      6.093791
  N      -2.389912      1.466693      7.513334
  C      -1.419118      1.315588      8.567074
  C      -0.787601      2.657663      8.936714
  N      -0.266622      3.320980      7.728031
  C      -0.165490      4.785453      7.844860
  C      -1.563632      5.383642      7.932254
  C       1.023981      2.753103      7.275933
  C       0.957546      2.672512      5.755443
  N      -0.291482      2.044648      5.458402
  H      -1.531934      6.438881      7.588272
  H      -1.904435      5.425543      8.990615
  H       0.339540      5.138879      6.935262
  H       0.458313      5.070033      8.711771
  H       1.805870      2.089044      5.355544
  H       1.041018      3.690932      5.321311
  H       1.115860      1.737654      7.680702
  H       1.863754      3.357226      7.661006
  H      -1.885050      0.903687      9.483262
  H      -0.626602      0.588838      8.277764
  H      -1.555029      3.309615      9.371405
  H       0.015556      2.521192      9.684763
  C      -3.815357      4.921261      7.104460
  C      -4.615066      3.948387      6.302500
  C      -5.848280      4.172332      5.809115
  C      -6.570969      3.191726      5.013772
  N      -5.919289      2.078203      4.656516
  C      -6.559154      1.205662      3.855317
  N      -7.776955      1.301706      3.362259
  C      -8.481569      2.415049      3.724807
  C      -9.799514      2.575664      3.235921
  C     -10.537920      3.685134      3.582658
  C      -9.992067      4.670484      4.433828
  C      -8.709022      4.539312      4.922278
  C      -7.921821      3.415146      4.578525
  C      -0.416848      1.060040      4.406012
  C      -1.280605     -0.080893      4.864303
  C      -2.309290     -0.732895      4.276400
  C      -3.007431     -0.470646      3.024231
  N      -2.813561      0.691391      2.391166
  C      -3.561143      0.943197      1.299649
  N      -4.495392      0.188536      0.759039
  C      -4.695881     -1.023569      1.355344
  C      -5.674071     -1.892939      0.817103
  C      -5.875971     -3.137651      1.369680
  C      -5.102770     -3.562863      2.470599
  C      -4.157236     -2.727230      3.026712
  C      -3.942854     -1.431372      2.499797
  C      -3.471886      0.508026      7.505144
  C      -4.641911      1.028017      8.290000
  C      -5.961096      0.825210      8.071127
  C      -6.552912     -0.081759      7.099874
  N      -5.776797     -1.017195      6.537783
  C      -6.349729     -1.877175      5.671776
  N      -7.613493     -1.946797      5.311420
  C      -8.436644     -1.002245      5.856393
  C      -9.803728     -1.002045      5.491872
  C     -10.655033     -0.040366      5.988538
  C     -10.173747      0.957195      6.862420
  C      -8.847820      0.974690      7.240420
  C      -7.949274     -0.007215      6.759722
  H      -3.985541      5.955012      6.732170
  H      -4.230293      4.909596      8.141051
  H      -4.197137      2.941048      6.104185
  H      -6.308980      5.151970      5.948914
  H      -5.985164      0.316921      3.578014
  H     -10.199241      1.796198      2.589127
  H     -11.552491      3.805401      3.204160
  H     -10.591047      5.538689      4.705523
  H      -8.308303      5.304187      5.584782
  H       0.584324      0.620774      4.209737
  H      -0.788681      1.496584      3.464356
  H      -0.996133     -0.448422      5.854086
  H      -2.715996     -1.566900      4.847761
  H      -3.371358      1.905033      0.815321
  H      -6.246753     -1.543539     -0.040464
  H      -6.631529     -3.803424      0.954425
  H      -5.260687     -4.556684      2.887845
  H      -3.568667     -3.078273      3.872072
  H      -3.138880     -0.463006      7.926147
  H      -3.786411      0.281537      6.479338
  H      -4.374347      1.725106      9.089004
  H      -6.657902      1.393049      8.686039
  H      -5.669494     -2.604680      5.224184
  H     -10.143437     -1.768846      4.797426
  H     -11.703961     -0.035476      5.694465
  H     -10.853300      1.724855      7.229785
  H      -8.490594      1.763982      7.898646
  N      -2.659649      3.178480      4.493328
  H      -3.273797      3.221074      3.681101
91
Coordinates from ORCA-job orca E -6200.061928890148
  N      -2.425479      4.572691      7.130750
  Mo     -1.978609      2.909254      6.095105
  N      -2.391492      1.472882      7.513652
  C      -1.425658      1.319801      8.571955
  C      -0.793608      2.661450      8.941081
  N      -0.268838      3.322000      7.732372
  C      -0.167644      4.786808      7.846800
  C      -1.565610      5.385566      7.928054
  C       1.023023      2.753583      7.284664
  C       0.964067      2.671170      5.763891
  N      -0.284300      2.043865      5.461848
  H      -1.531121      6.442015      7.588287
  H      -1.913021      5.423666      8.984417
  H       0.340402      5.138277      6.938107
  H       0.453404      5.073343      8.715071
  H       1.813793      2.084849      5.371004
  H       1.052260      3.688141      5.327179
  H       1.112948      1.738429      7.690578
  H       1.861827      3.357536      7.672094
  H      -1.896053      0.909681      9.486652
  H      -0.633665      0.591313      8.285958
  H      -1.562712      3.314693      9.370973
  H       0.006578      2.526717      9.692587
  C      -3.815168      4.921250      7.095398
  C      -4.612260      3.939852      6.301160
  C      -5.843426      4.160342      5.800829
  C      -6.563703      3.172805      5.011826
  N      -5.914404      2.051613      4.674082
  C      -6.551687      1.172503      3.877926
  N      -7.764705      1.268178      3.373023
  C      -8.466862      2.389422      3.715441
  C      -9.779361      2.550803      3.212355
  C     -10.514843      3.668561      3.538190
  C      -9.971469      4.661679      4.381895
  C      -8.693739      4.529775      4.883935
  C      -7.909527      3.397182      4.561671
  C      -0.406679      1.066113      4.401791
  C      -1.274969     -0.074504      4.851305
  C      -2.304077     -0.720229      4.257283
  C      -2.995355     -0.451412      3.003013
  N      -2.773602      0.699787      2.359056
  C      -3.516895      0.960617      1.266666
  N      -4.471108      0.225099      0.734533
  C      -4.699962     -0.976812      1.341189
  C      -5.700923     -1.825819      0.812445
  C      -5.932670     -3.060438      1.375906
  C      -5.167430     -3.495674      2.478401
  C      -4.199904     -2.679416      3.025241
  C      -3.954543     -1.393606      2.487508
  C      -3.474114      0.514822      7.499862
  C      -4.640584      1.026437      8.296041
  C      -5.960109      0.812811      8.090947
  C      -6.552298     -0.100991      7.126423
  N      -5.775738     -1.040684      6.572189
  C      -6.350141     -1.909459      5.715617
  N      -7.614312     -1.982984      5.357474
  C      -8.437007     -1.032854      5.893291
  C      -9.804423     -1.035559      5.530035
  C     -10.654395     -0.067682      6.017051
  C     -10.171405      0.939295      6.879201
  C      -8.845241      0.959333      7.256342
  C      -7.948472     -0.029160      6.786085
  H      -3.990705      5.951782      6.716899
  H      -4.226602      4.914717      8.133423
  H      -4.191775      2.931867      6.113144
  H      -6.303474      5.141893      5.928364
  H      -5.979606      0.277919      3.616051
  H     -10.177228      1.765490      2.571506
  H     -11.525172      3.789480      3.148719
  H     -10.568151      5.536460      4.637038
  H      -8.295016      5.300749      5.540523
  H       0.594302      0.626181      4.205669
  H      -0.775791      1.509401      3.462492
  H      -0.997277     -0.444541      5.842153
  H      -2.718579     -1.551731      4.826472
  H      -3.303288      1.912657      0.772973
  H      -6.266779     -1.469130     -0.046634
  H      -6.705977     -3.710330      0.968266
  H      -5.349329     -4.481562      2.904579
  H      -3.618041     -3.038480      3.871826
  H      -3.139944     -0.462255      7.905644
  H      -3.793539      0.301250      6.472439
  H      -4.370399      1.727164      9.090924
  H      -6.655965      1.375849      8.711464
  H      -5.671142     -2.642134      5.275187
  H     -10.145546     -1.809431      4.844167
  H     -11.703580     -0.065120      5.723862
  H     -10.849791      1.712047      7.237941
  H      -8.485855      1.755779      7.904726
  N      -2.664106      3.148616      4.493723
  H      -3.280502      3.168643      3.682321
91
Coordinates from ORCA-job orca E -6200.062891904909
  N      -2.425543      4.577385      7.119962
  Mo     -1.975310      2.908770      6.095142
  N      -2.393886      1.478168      7.511241
  C      -1.432546      1.322287      8.573774
  C      -0.799860      2.663376      8.943763
  N      -0.272263      3.322872      7.735674
  C      -0.171466      4.787913      7.849584
  C      -1.569477      5.386427      7.926054
  C       1.020823      2.754907      7.291306
  C       0.968702      2.672496      5.770202
  N      -0.278394      2.044826      5.462481
  H      -1.532848      6.444521      7.591861
  H      -1.922984      5.419245      8.980580
  H       0.339196      5.138787      6.942116
  H       0.447002      5.075347      8.719393
  H       1.820329      2.084716      5.383483
  H       1.060408      3.688579      5.332103
  H       1.109184      1.739562      7.697053
  H       1.858518      3.358510      7.681674
  H      -1.907181      0.913186      9.486690
  H      -0.641305      0.592214      8.290203
  H      -1.570335      3.317266      9.370310
  H      -0.002037      2.529579      9.697866
  C      -3.817106      4.919852      7.089559
  C      -4.611025      3.931534      6.300682
  C      -5.840068      4.149272      5.793652
  C      -6.558634      3.156504      5.009687
  N      -5.913257      2.027362      4.691023
  C      -6.549255      1.142675      3.899991
  N      -7.757203      1.239450      3.383312
  C      -8.455079      2.369331      3.705417
  C      -9.761370      2.533546      3.187341
  C     -10.491900      3.660543      3.491697
  C      -9.949719      4.660406      4.328121
  C      -8.678048      4.525755      4.844547
  C      -7.898828      3.383726      4.544287
  C      -0.395421      1.071449      4.396662
  C      -1.266314     -0.070036      4.837923
  C      -2.294339     -0.711475      4.237423
  C      -2.979237     -0.436630      2.981285
  N      -2.731446      0.703629      2.327102
  C      -3.469984      0.972573      1.233485
  N      -4.442218      0.255550      0.708920
  C      -4.697835     -0.935878      1.325426
  C      -5.719477     -1.765115      0.805069
  C      -5.979154     -2.989519      1.378465
  C      -5.221817     -3.434185      2.482513
  C      -4.234376     -2.636713      3.021227
  C      -3.960131     -1.360959      2.473755
  C      -3.477506      0.520943      7.493493
  C      -4.639829      1.025963      8.300396
  C      -5.959658      0.802441      8.109548
  C      -6.553316     -0.117768      7.152091
  N      -5.776796     -1.060646      6.603333
  C      -6.354081     -1.938398      5.757597
  N      -7.619378     -2.016656      5.404742
  C      -8.441054     -1.061805      5.933466
  C      -9.809812     -1.068895      5.575432
  C     -10.658274     -0.096310      6.055745
  C     -10.172408      0.920079      6.905195
  C      -8.844996      0.944070      7.277682
  C      -7.950131     -0.049561      6.814878
  H      -3.999026      5.947985      6.707728
  H      -4.224546      4.915216      8.129145
  H      -4.187369      2.923335      6.121304
  H      -6.299170      5.132452      5.910797
  H      -5.980556      0.241712      3.653653
  H     -10.158408      1.743187      2.552257
  H     -11.497375      3.783681      3.090653
  H     -10.542537      5.542528      4.566243
  H      -8.280286      5.302100      5.495250
  H       0.606379      0.632573      4.202216
  H      -0.761710      1.519107      3.458654
  H      -0.994854     -0.442069      5.829782
  H      -2.714750     -1.541666      4.803842
  H      -3.234038      1.914583      0.731049
  H      -6.278464     -1.401669     -0.055609
  H      -6.768647     -3.623925      0.977651
  H      -5.426303     -4.411960      2.916958
  H      -3.659463     -3.003214      3.869221
  H      -3.142302     -0.461445      7.885206
  H      -3.802342      0.318805      6.465197
  H      -4.366531      1.730514      9.090735
  H      -6.653746      1.361089      8.736042
  H      -5.676899     -2.675816      5.322983
  H     -10.153369     -1.849876      4.898948
  H     -11.708542     -0.097271      5.766585
  H     -10.849555      1.696775      7.257573
  H      -8.482682      1.747508      7.915707
  N      -2.669662      3.121374      4.493916
  H      -3.287362      3.119295      3.683199
91
Coordinates from ORCA-job orca E -6200.063620193449
  N      -2.426288      4.581000      7.109485
  Mo     -1.972395      2.907872      6.093835
  N      -2.395734      1.482744      7.508662
  C      -1.438527      1.325679      8.575554
  C      -0.805424      2.666519      8.945621
  N      -0.275326      3.324597      7.737772
  C      -0.175396      4.789945      7.850692
  C      -1.573809      5.387570      7.922714
  C       1.019022      2.757039      7.296931
  C       0.973117      2.673654      5.775609
  N      -0.272423      2.044903      5.462500
  H      -1.535890      6.446923      7.592857
  H      -1.932438      5.416199      8.975616
  H       0.337565      5.140103      6.944254
  H       0.440591      5.078608      8.721817
  H       1.826860      2.084983      5.394836
  H       1.067403      3.688767      5.335875
  H       1.106055      1.741789      7.703116
  H       1.855484      3.360704      7.689822
  H      -1.917225      0.918169      9.486977
  H      -0.647820      0.594091      8.295035
  H      -1.577119      3.321105      9.368935
  H      -0.009622      2.534032      9.701982
  C      -3.819786      4.917223      7.083758
  C      -4.610000      3.923118      6.298377
  C      -5.836924      4.138043      5.784917
  C      -6.553504      3.140456      5.005390
  N      -5.911457      2.004449      4.704666
  C      -6.546138      1.113886      3.919262
  N      -7.749497      1.210629      3.392190
  C      -8.443362      2.348434      3.694402
  C      -9.743640      2.514474      3.162072
  C     -10.469278      3.650124      3.444896
  C      -9.928237      4.657098      4.273366
  C      -8.662568      4.520586      4.803697
  C      -7.888251      3.369733      4.525453
  C      -0.382554      1.071968      4.394461
  C      -1.258822     -0.067858      4.828294
  C      -2.286479     -0.703280      4.220755
  C      -2.961819     -0.422684      2.961020
  N      -2.681940      0.703030      2.294363
  C      -3.411236      0.979898      1.196671
  N      -4.402581      0.284702      0.678899
  C      -4.692039     -0.892091      1.308307
  C      -5.736898     -1.697194      0.796449
  C      -6.032438     -2.906825      1.383463
  C      -5.288727     -3.360671      2.492834
  C      -4.278773     -2.586237      3.023131
  C      -3.967250     -1.325230      2.461825
  C      -3.479765      0.525613      7.489040
  C      -4.638825      1.025233      8.304317
  C      -5.958568      0.791927      8.126208
  C      -6.553131     -0.134746      7.175592
  N      -5.775545     -1.078107      6.629267
  C      -6.354864     -1.964217      5.793516
  N      -7.621493     -2.049064      5.447555
  C      -8.443436     -1.092382      5.972244
  C      -9.813935     -1.106087      5.621299
  C     -10.662438     -0.131822      6.098062
  C     -10.174923      0.893081      6.936244
  C      -8.845888      0.923169      7.302331
  C      -7.951211     -0.072410      6.843600
  H      -4.008111      5.943496      6.700182
  H      -4.223791      4.912682      8.124636
  H      -4.182949      2.914906      6.126650
  H      -6.295418      5.122415      5.892934
  H      -5.980432      0.207276      3.687919
  H     -10.139865      1.718837      2.533227
  H     -11.469963      3.774753      3.032734
  H     -10.517243      5.546083      4.494398
  H      -8.265748      5.302580      5.447983
  H       0.619998      0.632362      4.205779
  H      -0.742969      1.521292      3.455252
  H      -0.996484     -0.440496      5.822355
  H      -2.716199     -1.529859      4.785081
  H      -3.147808      1.908605      0.683592
  H      -6.284753     -1.327239     -0.068484
  H      -6.840122     -3.522263      0.989639
  H      -5.522224     -4.326687      2.938612
  H      -3.715736     -2.959723      3.875829
  H      -3.142935     -0.460248      7.870225
  H      -3.809105      0.331244      6.460548
  H      -4.363482      1.733986      9.090047
  H      -6.651266      1.346528      8.757761
  H      -5.678346     -2.703941      5.362402
  H     -10.159005     -1.893399      4.953090
  H     -11.714107     -0.138017      5.814427
  H     -10.852120      1.671319      7.284828
  H      -8.481839      1.732846      7.931330
  N      -2.674167      3.096027      4.493093
  H      -3.292123      3.073630      3.682806
91
Coordinates from ORCA-job orca E -6200.065110444572
  N      -2.427052      4.575520      7.102595
  Mo     -1.964770      2.904885      6.093173
  N      -2.378263      1.499495      7.499993
  C      -1.420666      1.320482      8.592556
  C      -0.779779      2.658676      8.975066
  N      -0.239748      3.325422      7.756965
  C      -0.146518      4.801809      7.868907
  C      -1.557278      5.391253      7.926883
  C       1.065549      2.752938      7.306411
  C       1.026790      2.672791      5.771509
  N      -0.249321      2.045272      5.457459
  H      -1.526614      6.449700      7.594509
  H      -1.924773      5.415381      8.977905
  H       0.364326      5.159190      6.962325
  H       0.464886      5.100346      8.743197
  H       1.880063      2.079299      5.392571
  H       1.129483      3.688710      5.329286
  H       1.148919      1.734380      7.710922
  H       1.909831      3.352655      7.693554
  H      -1.908817      0.910381      9.499680
  H      -0.631734      0.582972      8.311760
  H      -1.556302      3.311454      9.397463
  H       0.009533      2.518290      9.740362
  C      -3.841210      4.942305      7.108494
  C      -4.653459      3.941699      6.331724
  C      -5.893018      4.169199      5.840494
  C      -6.631023      3.186225      5.054932
  N      -5.998280      2.058947      4.705901
  C      -6.658910      1.184721      3.900828
  N      -7.891596      1.301088      3.399087
  C      -8.571479      2.431653      3.760407
  C      -9.894643      2.617887      3.275156
  C     -10.613538      3.749267      3.624886
  C     -10.039325      4.731264      4.475135
  C      -8.749568      4.574045      4.959463
  C      -7.982224      3.427140      4.614560
  C      -0.340029      1.064388      4.368381
  C      -1.203228     -0.086504      4.810205
  C      -2.229383     -0.742133      4.215250
  C      -2.919150     -0.482323      2.953524
  N      -2.658051      0.636078      2.268616
  C      -3.411994      0.894971      1.163846
  N      -4.415567      0.169638      0.664547
  C      -4.678906     -1.003762      1.321447
  C      -5.724231     -1.839339      0.841033
  C      -5.992492     -3.047512      1.461722
  C      -5.220490     -3.469949      2.575903
  C      -4.209578     -2.665671      3.076234
  C      -3.924104     -1.405625      2.479766
  C      -3.483090      0.541057      7.467602
  C      -4.652662      1.050104      8.269906
  C      -5.969533      0.820521      8.066752
  C      -6.534986     -0.124138      7.114792
  N      -5.737378     -1.082907      6.629961
  C      -6.294466     -1.997721      5.787432
  N      -7.566046     -2.085217      5.393966
  C      -8.400214     -1.102456      5.861111
  C      -9.761988     -1.104940      5.454341
  C     -10.616038     -0.096174      5.868847
  C     -10.140139      0.952414      6.699688
  C      -8.819548      0.970709      7.119614
  C      -7.921449     -0.058161      6.724700
  H      -4.023119      5.970472      6.728848
  H      -4.223571      4.946956      8.159844
  H      -4.238694      2.935712      6.155564
  H      -6.347548      5.156138      5.969823
  H      -6.100674      0.281105      3.626160
  H     -10.314699      1.841197      2.628988
  H     -11.632457      3.889344      3.248916
  H     -10.620683      5.617483      4.749500
  H      -8.328683      5.335784      5.621425
  H       0.670141      0.638222      4.181444
  H      -0.702786      1.509351      3.427516
  H      -0.925686     -0.447113      5.810504
  H      -2.648497     -1.569212      4.795560
  H      -3.165627      1.824586      0.632401
  H      -6.294683     -1.494405     -0.026535
  H      -6.800967     -3.685950      1.091447
  H      -5.433297     -4.433804      3.048047
  H      -3.623668     -3.009332      3.932788
  H      -3.159070     -0.450269      7.848235
  H      -3.806629      0.349641      6.430120
  H      -4.382538      1.765359      9.057784
  H      -6.680375      1.389263      8.673730
  H      -5.606391     -2.758625      5.395452
  H     -10.095151     -1.910284      4.793168
  H     -11.660961     -0.094176      5.541497
  H     -10.818728      1.757406      6.999621
  H      -8.463266      1.797344      7.739474
  N      -2.692532      3.091940      4.461040
  H      -3.319767      3.055732      3.653905
91
Coordinates from ORCA-job orca E -6200.066071452242
  N      -2.427439      4.578157      7.089039
  Mo     -1.961704      2.901077      6.091647
  N      -2.379827      1.503251      7.500091
  C      -1.426488      1.325258      8.596897
  C      -0.785666      2.663968      8.977495
  N      -0.242892      3.326943      7.758864
  C      -0.150370      4.803647      7.866843
  C      -1.561247      5.392897      7.918493
  C       1.063410      2.753297      7.313608
  C       1.030919      2.669971      5.778846
  N      -0.243321      2.041315      5.459322
  H      -1.528809      6.451684      7.587660
  H      -1.934088      5.415678      8.967594
  H       0.363375      5.158279      6.960846
  H       0.458102      5.104977      8.742132
  H       1.886121      2.075290      5.406209
  H       1.136117      3.684511      5.334352
  H       1.144872      1.735435      7.720138
  H       1.906542      3.353352      7.702673
  H      -1.918693      0.918221      9.503060
  H      -0.638048      0.585969      8.320306
  H      -1.563303      3.318162      9.395602
  H       0.001573      2.526057      9.745206
  C      -3.843237      4.939210      7.098577
  C      -4.652463      3.932680      6.326454
  C      -5.889690      4.157372      5.828242
  C      -6.625781      3.168881      5.048065
  N      -5.995734      2.034561      4.717344
  C      -6.654917      1.153284      3.919176
  N      -7.883431      1.268549      3.407799
  C      -8.560015      2.407375      3.748708
  C      -9.877898      2.594460      3.249926
  C     -10.592564      3.734976      3.577205
  C     -10.019531      4.725527      4.417982
  C      -8.735184      4.567323      4.915706
  C      -7.972047      3.411172      4.593647
  C      -0.326716      1.061556      4.368227
  C      -1.196166     -0.087731      4.801014
  C      -2.222543     -0.735751      4.198017
  C      -2.902364     -0.467600      2.933012
  N      -2.607259      0.636098      2.237850
  C      -3.350035      0.905690      1.128497
  N      -4.372885      0.205563      0.633404
  C      -4.672465     -0.952839      1.300987
  C      -5.741308     -1.760939      0.825854
  C      -6.047796     -2.954005      1.457483
  C      -5.291567     -3.388620      2.577407
  C      -4.257781     -2.610773      3.072323
  C      -3.932572     -1.365904      2.464822
  C      -3.485402      0.545645      7.468823
  C      -4.651348      1.051220      8.278643
  C      -5.968226      0.811768      8.088432
  C      -6.534241     -0.140651      7.144554
  N      -5.734772     -1.099209      6.662466
  C      -6.292749     -2.022171      5.829707
  N      -7.565225     -2.116795      5.442123
  C      -8.400698     -1.133306      5.904937
  C      -9.763986     -1.143049      5.503861
  C     -10.619328     -0.134028      5.914600
  C     -10.143419      0.922045      6.735681
  C      -8.821434      0.947259      7.150406
  C      -7.922131     -0.081845      6.759439
  H      -4.030719      5.965207      6.716084
  H      -4.222251      4.945348      8.151005
  H      -4.235131      2.926101      6.159362
  H      -6.343392      5.145815      5.947455
  H      -6.098934      0.244036      3.659739
  H     -10.297117      1.811395      2.611158
  H     -11.607209      3.875843      3.190533
  H     -10.597595      5.619047      4.674478
  H      -8.315279      5.335877      5.570096
  H       0.684046      0.634219      4.187915
  H      -0.682291      1.508821      3.425935
  H      -0.927909     -0.451008      5.802803
  H      -2.651432     -1.559999      4.774721
  H      -3.074471      1.821643      0.588346
  H      -6.298964     -1.407180     -0.046288
  H      -6.874696     -3.570847      1.091754
  H      -5.535312     -4.340318      3.058861
  H      -3.685192     -2.963911      3.933718
  H      -3.159807     -0.447934      7.841786
  H      -3.813768      0.359446      6.431965
  H      -4.379091      1.771798      9.060740
  H      -6.677902      1.377555      8.699351
  H      -5.604085     -2.783522      5.440527
  H     -10.097485     -1.954096      4.850065
  H     -11.665504     -0.137783      5.591757
  H     -10.823133      1.727245      7.031958
  H      -8.464732      1.779444      7.762364
  N      -2.695888      3.061224      4.460577
  H      -3.322861      3.004097      3.654479
91
Coordinates from ORCA-job orca E -6200.067125340365
  N      -2.426725      4.581161      7.073762
  Mo     -1.958372      2.896482      6.090134
  N      -2.380945      1.507471      7.501530
  C      -1.431795      1.331350      8.602295
  C      -0.790764      2.670669      8.979668
  N      -0.245347      3.328417      7.759852
  C      -0.153026      4.805416      7.862241
  C      -1.563636      5.395211      7.907186
  C       1.061479      2.752587      7.320255
  C       1.034867      2.665274      5.785907
  N      -0.237644      2.035963      5.461407
  H      -1.529014      6.453928      7.576658
  H      -1.941570      5.417983      8.954379
  H       0.363685      5.156141      6.956441
  H       0.452677      5.110200      8.738149
  H       1.891550      2.068978      5.419414
  H       1.142708      3.678269      5.338925
  H       1.140526      1.735637      7.729403
  H       1.903791      3.352796      7.710777
  H      -1.928016      0.928142      9.507800
  H      -0.644005      0.590047      8.330321
  H      -1.569105      3.326896      9.393197
  H      -0.005381      2.535623      9.749604
  C      -3.843787      4.937152      7.087267
  C      -4.651384      3.924872      6.321302
  C      -5.886506      4.146993      5.816993
  C      -6.622657      3.152624      5.044648
  N      -5.996790      2.010789      4.732217
  C      -6.656852      1.121987      3.943697
  N      -7.882416      1.235777      3.426040
  C      -8.554213      2.383298      3.746629
  C      -9.867632      2.571161      3.236928
  C     -10.576178      3.721552      3.541106
  C     -10.001589      4.721501      4.369192
  C      -8.721873      4.562384      4.877807
  C      -7.964782      3.396271      4.579042
  C      -0.314620      1.057809      4.368468
  C      -1.189635     -0.089958      4.793031
  C      -2.216781     -0.730427      4.183201
  C      -2.887801     -0.454107      2.915691
  N      -2.559548      0.633812      2.210201
  C      -3.292517      0.914535      1.097624
  N      -4.334892      0.240906      0.607880
  C      -4.669766     -0.901419      1.285990
  C      -5.762546     -1.680442      0.817412
  C      -6.106665     -2.856908      1.460118
  C      -5.365152     -3.303861      2.584574
  C      -4.307933     -2.554122      3.072722
  C      -3.943669     -1.325897      2.454171
  C      -3.487271      0.551032      7.471843
  C      -4.651170      1.052576      8.287023
  C      -5.967301      0.802183      8.107062
  C      -6.530946     -0.159788      7.171365
  N      -5.728485     -1.120013      6.697694
  C      -6.284235     -2.052303      5.874441
  N      -7.555827     -2.154017      5.487545
  C      -8.393732     -1.167912      5.939791
  C      -9.756479     -1.184265      5.537772
  C     -10.613686     -0.172592      5.937251
  C     -10.140344      0.892930      6.747210
  C      -8.819139      0.924441      7.163332
  C      -7.918284     -0.107525      6.784495
  H      -4.036268      5.960813      6.701402
  H      -4.218694      4.945700      8.140987
  H      -4.232530      2.917356      6.163956
  H      -6.338591      5.137233      5.925795
  H      -6.104232      0.206794      3.699150
  H     -10.288049      1.781150      2.607814
  H     -11.587152      3.863187      3.145642
  H     -10.574870      5.622958      4.607320
  H      -8.300774      5.338503      5.522122
  H       0.696548      0.629348      4.193973
  H      -0.663723      1.507359      3.425053
  H      -0.929346     -0.456181      5.795749
  H      -2.654527     -1.551959      4.756625
  H      -2.988494      1.815859      0.548743
  H      -6.308260     -1.317746     -0.058408
  H      -6.952344     -3.450848      1.099949
  H      -5.639481     -4.242126      3.075498
  H      -3.747622     -2.916943      3.937831
  H      -3.160199     -0.444096      7.838864
  H      -3.819001      0.368857      6.435466
  H      -4.379000      1.779997      9.062590
  H      -6.677605      1.365948      8.718919
  H      -5.593628     -2.815225      5.492755
  H     -10.088116     -2.002386      4.892124
  H     -11.659450     -0.181576      5.613698
  H     -10.821517      1.700170      7.033828
  H      -8.463911      1.763645      7.766299
  N      -2.699478      3.029310      4.461006
  H      -3.326409      2.951184      3.656737
91
Coordinates from ORCA-job orca E -6200.070081251901
  N      -2.427664      4.568571      7.035824
  Mo     -1.946154      2.870192      6.083558
  N      -2.373847      1.496701      7.506467
  C      -1.431156      1.333069      8.610506
  C      -0.797347      2.675211      8.978832
  N      -0.248412      3.321898      7.757513
  C      -0.164011      4.798713      7.844521
  C      -1.574856      5.385951      7.871554
  C       1.060117      2.745238      7.331654
  C       1.044531      2.647274      5.800942
  N      -0.221712      2.017404      5.467419
  H      -1.538483      6.442535      7.534971
  H      -1.963945      5.413939      8.914269
  H       0.359788      5.141330      6.939791
  H       0.431938      5.115730      8.722484
  H       1.903156      2.049226      5.443046
  H       1.154580      3.658171      5.350948
  H       1.137611      1.731338      7.747954
  H       1.898571      3.349210      7.724293
  H      -1.931512      0.934342      9.515212
  H      -0.639672      0.593960      8.346304
  H      -1.579140      3.332656      9.383523
  H      -0.014858      2.549142      9.752894
  C      -3.844236      4.917092      7.045155
  C      -4.653175      3.897430      6.294043
  C      -5.882229      4.114396      5.775930
  C      -6.603168      3.106931      5.006797
  N      -5.957379      1.974451      4.701294
  C      -6.596417      1.072027      3.914296
  N      -7.819173      1.162280      3.391917
  C      -8.512197      2.299397      3.703804
  C      -9.824530      2.462473      3.185192
  C     -10.551859      3.603587      3.474282
  C      -9.998308      4.619464      4.295497
  C      -8.720744      4.484797      4.813429
  C      -7.944703      3.328343      4.530481
  C      -0.291035      1.047486      4.372623
  C      -1.160172     -0.106673      4.789600
  C      -2.197355     -0.729769      4.179888
  C      -2.879356     -0.417520      2.927616
  N      -2.535158      0.676535      2.238783
  C      -3.290918      1.010684      1.159474
  N      -4.368633      0.388078      0.685930
  C      -4.720603     -0.760977      1.341923
  C      -5.856304     -1.485712      0.891257
  C      -6.226835     -2.661596      1.518166
  C      -5.470310     -3.161655      2.608094
  C      -4.369658     -2.465571      3.077042
  C      -3.976992     -1.239709      2.475912
  C      -3.476687      0.540422      7.481695
  C      -4.635588      1.041908      8.303336
  C      -5.952381      0.785040      8.137342
  C      -6.523210     -0.184769      7.213731
  N      -5.729888     -1.159258      6.753200
  C      -6.290605     -2.090714      5.935941
  N      -7.558570     -2.182463      5.543647
  C      -8.386945     -1.181606      5.978696
  C      -9.743955     -1.181913      5.560881
  C     -10.588893     -0.152793      5.936919
  C     -10.109735      0.913340      6.740463
  C      -8.794745      0.929032      7.173256
  C      -7.906273     -0.119974      6.817117
  H      -4.038205      5.936306      6.649595
  H      -4.215635      4.934539      8.099535
  H      -4.236539      2.888285      6.156315
  H      -6.336630      5.105068      5.867745
  H      -6.021324      0.170278      3.668537
  H     -10.228422      1.661413      2.560008
  H     -11.561605      3.726344      3.070730
  H     -10.586212      5.514305      4.520316
  H      -8.315519      5.273344      5.451932
  H       0.722947      0.627654      4.196279
  H      -0.642355      1.498513      3.430703
  H      -0.890046     -0.491210      5.782560
  H      -2.638039     -1.555985      4.743899
  H      -2.989755      1.929855      0.641515
  H      -6.414700     -1.080998      0.042856
  H      -7.106621     -3.212689      1.173393
  H      -5.768660     -4.096839      3.089407
  H      -3.792493     -2.872532      3.909945
  H      -3.146159     -0.453144      7.848783
  H      -3.811972      0.359190      6.446681
  H      -4.360125      1.778282      9.068843
  H      -6.658908      1.353294      8.748967
  H      -5.604536     -2.861737      5.563606
  H     -10.080206     -2.001058      4.919651
  H     -11.629662     -0.148279      5.599159
  H     -10.780962      1.734914      7.007361
  H      -8.433807      1.769064      7.771040
  N      -2.695433      2.964345      4.461335
  H      -3.322883      2.857111      3.661738
91
Coordinates from ORCA-job orca E -6200.072645701453
  N      -2.425857      4.559361      7.003303
  Mo     -1.934574      2.848504      6.080780
  N      -2.369598      1.488604      7.510667
  C      -1.434794      1.331805      8.618867
  C      -0.802804      2.673244      8.980779
  N      -0.249546      3.310021      7.758710
  C      -0.170321      4.786169      7.834232
  C      -1.580287      5.373407      7.845712
  C       1.058226      2.730561      7.342934
  C       1.052612      2.629448      5.815235
  N      -0.209697      2.004588      5.468063
  H      -1.539315      6.429490      7.508300
  H      -1.980952      5.402581      8.883897
  H       0.360600      5.122771      6.931479
  H       0.416556      5.112398      8.714795
  H       1.911435      2.029035      5.462856
  H       1.167886      3.640175      5.366929
  H       1.131222      1.717502      7.761747
  H       1.895326      3.333748      7.739427
  H      -1.941269      0.937089      9.521519
  H      -0.641990      0.592573      8.361113
  H      -1.585223      3.333889      9.378945
  H      -0.023091      2.551637      9.758146
  C      -3.840890      4.907405      7.012213
  C      -4.659159      3.886224      6.276767
  C      -5.881407      4.104531      5.745610
  C      -6.592204      3.088176      4.978575
  N      -5.932895      1.962380      4.677509
  C      -6.558292      1.049761      3.894035
  N      -7.781037      1.121164      3.373821
  C      -8.489693      2.248927      3.683246
  C      -9.807067      2.388060      3.172183
  C     -10.551910      3.516447      3.462188
  C     -10.011821      4.543751      4.276833
  C      -8.729892      4.432948      4.787284
  C      -7.936468      3.289554      4.503690
  C      -0.270972      1.049446      4.363976
  C      -1.120723     -0.122495      4.770294
  C      -2.165182     -0.737035      4.163905
  C      -2.870115     -0.394224      2.932632
  N      -2.522816      0.705272      2.253152
  C      -3.305402      1.078862      1.208773
  N      -4.404144      0.486482      0.751081
  C      -4.755898     -0.672291      1.388295
  C      -5.916998     -1.365412      0.955418
  C      -6.296580     -2.542999      1.571959
  C      -5.523750     -3.076837      2.632711
  C      -4.396201     -2.412982      3.082346
  C      -3.992813     -1.186791      2.492324
  C      -3.473625      0.536527      7.490159
  C      -4.631412      1.046709      8.307859
  C      -5.948211      0.788914      8.144646
  C      -6.519932     -0.188880      7.229475
  N      -5.734204     -1.181819      6.795509
  C      -6.296355     -2.120009      5.990017
  N      -7.559663     -2.205683      5.588403
  C      -8.380391     -1.187038      5.994406
  C      -9.731080     -1.177789      5.559031
  C     -10.566252     -0.131025      5.903415
  C     -10.085019      0.941984      6.694769
  C      -8.776842      0.948757      7.145281
  C      -7.897552     -0.116395      6.818714
  H      -4.031693      5.924016      6.609574
  H      -4.205353      4.933989      8.068590
  H      -4.250469      2.874157      6.157744
  H      -6.333692      5.097329      5.821991
  H      -5.968224      0.157688      3.648492
  H     -10.200893      1.578364      2.552358
  H     -11.565410      3.620619      3.063828
  H     -10.613269      5.429190      4.501219
  H      -8.334517      5.230126      5.420730
  H       0.748517      0.648068      4.177764
  H      -0.633060      1.504194      3.428347
  H      -0.830886     -0.527702      5.749086
  H      -2.595909     -1.575175      4.717637
  H      -3.009534      2.009523      0.710533
  H      -6.489699     -0.933080      0.131069
  H      -7.197804     -3.067802      1.243238
  H      -5.832594     -4.010368      3.109424
  H      -3.802884     -2.847617      3.889013
  H      -3.145758     -0.454874      7.864533
  H      -3.807865      0.352829      6.455647
  H      -4.355380      1.791453      9.064641
  H      -6.654756      1.363198      8.750421
  H      -5.613819     -2.904668      5.639896
  H     -10.069692     -2.003727      4.928442
  H     -11.601309     -0.118210      5.549982
  H     -10.748192      1.777548      6.935496
  H      -8.413080      1.793813      7.733692
  N      -2.698696      2.911028      4.469434
  H      -3.329630      2.776867      3.677805
91
Coordinates from ORCA-job orca E -6200.074959916804
  N      -2.423681      4.556049      6.978635
  Mo     -1.927416      2.834708      6.081372
  N      -2.369447      1.484388      7.513859
  C      -1.442236      1.329957      8.626185
  C      -0.807527      2.667999      8.983779
  N      -0.250640      3.296436      7.761054
  C      -0.173235      4.771582      7.829056
  C      -1.581218      5.361258      7.829937
  C       1.053764      2.712085      7.350267
  C       1.055564      2.614235      5.824949
  N      -0.205707      2.000112      5.461981
  H      -1.533906      6.418203      7.496135
  H      -1.991584      5.388362      8.864345
  H       0.363248      5.104235      6.928194
  H       0.406988      5.103628      8.711837
  H       1.912459      2.010309      5.474819
  H       1.178983      3.626121      5.381929
  H       1.119902      1.697968      7.767504
  H       1.892492      3.310077      7.751043
  H      -1.955151      0.938490      9.526242
  H      -0.649928      0.589086      8.373082
  H      -1.587901      3.333027      9.378716
  H      -0.029500      2.546761      9.762787
  C      -3.835898      4.911136      6.990835
  C      -4.671157      3.894930      6.271081
  C      -5.886695      4.120943      5.729761
  C      -6.593789      3.099102      4.966258
  N      -5.924108      1.980712      4.661472
  C      -6.541914      1.061437      3.882119
  N      -7.767106      1.117948      3.370034
  C      -8.488799      2.234629      3.687495
  C      -9.815653      2.350900      3.196943
  C     -10.578061      3.461804      3.504913
  C     -10.046423      4.495097      4.316686
  C      -8.754891      4.408005      4.805368
  C      -7.944233      3.282138      4.504121
  C      -0.259193      1.059937      4.347810
  C      -1.078933     -0.134968      4.747010
  C      -2.124683     -0.752111      4.145291
  C      -2.850023     -0.393821      2.930313
  N      -2.507957      0.710047      2.254032
  C      -3.309713      1.101978      1.233083
  N      -4.414793      0.518532      0.783912
  C      -4.757295     -0.648992      1.409017
  C      -5.925784     -1.333950      0.985119
  C      -6.306412     -2.511065      1.600720
  C      -5.526835     -3.053280      2.651223
  C      -4.389401     -2.399530      3.089305
  C      -3.983213     -1.175273      2.499298
  C      -3.474183      0.534347      7.494363
  C      -4.634520      1.057607      8.300358
  C      -5.951261      0.801976      8.134047
  C      -6.523722     -0.183831      7.227152
  N      -5.746377     -1.194289      6.818652
  C      -6.310929     -2.137929      6.023357
  N      -7.570134     -2.216186      5.612509
  C      -8.381968     -1.180190      5.990443
  C      -9.726170     -1.160014      5.537360
  C     -10.550349     -0.096199      5.851902
  C     -10.065999      0.981970      6.632942
  C      -8.764638      0.978740      7.100749
  C      -7.895574     -0.102070      6.801742
  H      -4.018811      5.927175      6.584088
  H      -4.190429      4.946665      8.050249
  H      -4.275577      2.878846      6.167961
  H      -6.332788      5.117320      5.793446
  H      -5.940914      0.177766      3.633457
  H     -10.203517      1.536142      2.580476
  H     -11.599308      3.547523      3.122989
  H     -10.661522      5.367223      4.554461
  H      -8.365327      5.209520      5.436650
  H       0.767235      0.684331      4.146990
  H      -0.639511      1.515473      3.420375
  H      -0.766149     -0.553993      5.712563
  H      -2.539240     -1.603400      4.690863
  H      -3.026379      2.043934      0.750365
  H      -6.506449     -0.892790      0.171505
  H      -7.215591     -3.027214      1.281353
  H      -5.839546     -3.983567      3.130843
  H      -3.787651     -2.841780      3.885124
  H      -3.150554     -0.452900      7.882015
  H      -3.802363      0.343457      6.459370
  H      -4.359790      1.809917      9.049844
  H      -6.658851      1.384887      8.730209
  H      -5.633985     -2.938282      5.697386
  H     -10.068077     -1.991451      4.916300
  H     -11.579409     -0.074114      5.482695
  H     -10.719859      1.831240      6.848608
  H      -8.397280      1.827312      7.681450
  N      -2.711362      2.876386      4.482697
  H      -3.348397      2.721038      3.700732
91
Coordinates from ORCA-job orca E -6200.076852936467
  N      -2.429775      4.546748      6.962339
  Mo     -1.923237      2.820079      6.083833
  N      -2.364267      1.472091      7.514354
  C      -1.442738      1.318973      8.630050
  C      -0.809373      2.655975      8.986878
  N      -0.253788      3.282725      7.764285
  C      -0.183140      4.757273      7.829413
  C      -1.591661      5.343563      7.824629
  C       1.049075      2.699174      7.354328
  C       1.057256      2.609722      5.830404
  N      -0.202435      2.004415      5.450113
  H      -1.542779      6.402923      7.498710
  H      -2.009714      5.363245      8.856155
  H       0.355567      5.091200      6.930384
  H       0.391234      5.094415      8.714164
  H       1.913776      2.005568      5.480400
  H       1.186537      3.624329      5.395515
  H       1.112278      1.682837      7.766649
  H       1.888227      3.293151      7.760205
  H      -1.959945      0.927448      9.527368
  H      -0.649326      0.578560      8.379597
  H      -1.589487      3.321111      9.382290
  H      -0.031202      2.535553      9.765824
  C      -3.840384      4.906353      6.979785
  C      -4.690511      3.895246      6.273197
  C      -5.900197      4.128006      5.722504
  C      -6.603843      3.103307      4.958327
  N      -5.924729      1.993784      4.642551
  C      -6.533637      1.076327      3.855445
  N      -7.757789      1.127024      3.342980
  C      -8.491101      2.231293      3.675147
  C      -9.821962      2.335974      3.193669
  C     -10.599676      3.428741      3.525463
  C     -10.079299      4.456529      4.350988
  C      -8.782879      4.382943      4.827743
  C      -7.957358      3.275058      4.503152
  C      -0.244803      1.079799      4.324035
  C      -1.028221     -0.141253      4.715640
  C      -2.074875     -0.764659      4.121538
  C      -2.824603     -0.396661      2.924284
  N      -2.493150      0.710581      2.246877
  C      -3.314307      1.111361      1.246341
  N      -4.422522      0.528002      0.807428
  C      -4.752552     -0.645307      1.428087
  C      -5.924778     -1.330125      1.015771
  C      -6.301898     -2.504959      1.637190
  C      -5.514448     -3.045770      2.681846
  C      -4.370533     -2.394537      3.105695
  C      -3.966040     -1.173727      2.508209
  C      -3.471101      0.524499      7.497290
  C      -4.631097      1.062308      8.294621
  C      -5.948865      0.816206      8.123985
  C      -6.526008     -0.169337      7.219265
  N      -5.759186     -1.193838      6.826150
  C      -6.330563     -2.138788      6.038538
  N      -7.587794     -2.206377      5.622859
  C      -8.388875     -1.156373      5.984171
  C      -9.730296     -1.125382      5.524375
  C     -10.544060     -0.050491      5.826135
  C     -10.052715      1.027841      6.601728
  C      -8.753830      1.015246      7.074784
  C      -7.894653     -0.076249      6.787375
  H      -4.017947      5.922437      6.571460
  H      -4.184784      4.947895      8.042358
  H      -4.305215      2.876109      6.183211
  H      -6.340757      5.127430      5.775620
  H      -5.923179      0.201654      3.598789
  H     -10.201666      1.524925      2.567605
  H     -11.624749      3.504140      3.152138
  H     -10.706380      5.314610      4.607104
  H      -8.400648      5.180372      5.468580
  H       0.789175      0.736173      4.105883
  H      -0.648034      1.535434      3.406937
  H      -0.689230     -0.571730      5.667016
  H      -2.467691     -1.630735      4.659372
  H      -3.045632      2.062189      0.772987
  H      -6.513800     -0.888156      0.208862
  H      -7.215581     -3.019179      1.328317
  H      -5.826515     -3.972263      3.168730
  H      -3.761073     -2.836274      3.895645
  H      -3.152514     -0.459335      7.896519
  H      -3.795745      0.327666      6.462483
  H      -4.353669      1.816548      9.040966
  H      -6.654674      1.406974      8.714381
  H      -5.662049     -2.953556      5.730183
  H     -10.078741     -1.958484      4.909478
  H     -11.570567     -0.019836      5.451024
  H     -10.697977      1.886168      6.806226
  H      -8.380546      1.863508      7.651845
  N      -2.728880      2.844400      4.498271
  H      -3.372744      2.669198      3.726523
91
Coordinates from ORCA-job orca E -6200.078503580328
  N      -2.435324      4.537669      6.951696
  Mo     -1.919605      2.806836      6.088944
  N      -2.359676      1.459205      7.515860
  C      -1.444660      1.306616      8.636343
  C      -0.811174      2.642153      8.992754
  N      -0.256562      3.267574      7.769902
  C      -0.190864      4.741722      7.833371
  C      -1.599798      5.325503      7.824770
  C       1.044526      2.684139      7.359437
  C       1.059221      2.606291      5.836300
  N      -0.200000      2.012143      5.437390
  H      -1.549135      6.387405      7.507406
  H      -2.024034      5.337680      8.853915
  H       0.349376      5.077269      6.935911
  H       0.378979      5.082559      8.719746
  H       1.914939      2.001732      5.485574
  H       1.195815      3.624123      5.411343
  H       1.103903      1.664836      7.765061
  H       1.884817      3.272386      7.771303
  H      -1.967166      0.916068      9.530800
  H      -0.650845      0.565432      8.390006
  H      -1.590486      3.307839      9.388910
  H      -0.032851      2.521732      9.771544
  C      -3.843875      4.905249      6.973013
  C      -4.709369      3.901007      6.277913
  C      -5.912436      4.142374      5.717287
  C      -6.614026      3.116203      4.952042
  N      -5.927146      2.014648      4.626067
  C      -6.529062      1.099075      3.832344
  N      -7.752605      1.145406      3.319789
  C      -8.495854      2.238209      3.666294
  C      -9.830373      2.333269      3.193466
  C     -10.620936      3.409314      3.547879
  C     -10.109790      4.430894      4.386610
  C      -8.808950      4.368785      4.852233
  C      -7.970824      3.277750      4.504940
  C      -0.231343      1.105314      4.296965
  C      -0.976225     -0.142936      4.677622
  C      -2.023338     -0.774653      4.092346
  C      -2.800256     -0.401188      2.914370
  N      -2.485074      0.710119      2.234615
  C      -3.325291      1.111378      1.251254
  N      -4.431920      0.519552      0.821183
  C      -4.744516     -0.659149      1.440449
  C      -5.914763     -1.352583      1.037905
  C      -6.281995     -2.526569      1.666438
  C      -5.486032     -3.058078      2.708852
  C      -4.341628     -2.400341      3.120750
  C      -3.945243     -1.181490      2.514061
  C      -3.469978      0.514980      7.499360
  C      -4.630181      1.069755      8.285370
  C      -5.949128      0.835760      8.107998
  C      -6.531197     -0.149697      7.205882
  N      -5.773278     -1.184924      6.824200
  C      -6.350975     -2.131282      6.043636
  N      -7.607109     -2.190462      5.625337
  C      -8.399604     -1.130254      5.975322
  C      -9.740134     -1.092429      5.513884
  C     -10.547215     -0.011543      5.810813
  C     -10.050031      1.066503      6.582541
  C      -8.750933      1.049287      7.053999
  C      -7.898223     -0.048388      6.771349
  H      -4.013722      5.921845      6.563126
  H      -4.179884      4.953426      8.038059
  H      -4.335737      2.878074      6.201105
  H      -6.346029      5.145302      5.759666
  H      -5.910388      0.232789      3.567418
  H     -10.203349      1.526635      2.557931
  H     -11.649395      3.475990      3.182643
  H     -10.747133      5.275615      4.660633
  H      -8.432551      5.161261      5.502588
  H       0.808970      0.795900      4.059513
  H      -0.658929      1.563093      3.392509
  H      -0.608313     -0.585553      5.612373
  H      -2.389705     -1.657377      4.621334
  H      -3.075802      2.070795      0.785339
  H      -6.512497     -0.915802      0.234763
  H      -7.195359     -3.046132      1.366123
  H      -5.791985     -3.982284      3.203611
  H      -3.724903     -2.835551      3.908445
  H      -3.158745     -0.465412      7.911723
  H      -3.789131      0.311344      6.464422
  H      -4.349859      1.824311      9.030147
  H      -6.652855      1.435281      8.691882
  H      -5.689587     -2.956956      5.748454
  H     -10.094198     -1.926770      4.904110
  H     -11.573362      0.023735      5.435534
  H     -10.690334      1.929054      6.783896
  H      -8.372992      1.897160      7.628374
  N      -2.747583      2.818082      4.516193
  H      -3.399051      2.626318      3.754986
91
Coordinates from ORCA-job orca E -6200.079982594820
  N      -2.442036      4.526276      6.941432
  Mo     -1.916630      2.791143      6.094452
  N      -2.354651      1.444181      7.518824
  C      -1.446355      1.293843      8.645068
  C      -0.813133      2.629186      8.999480
  N      -0.259925      3.252511      7.775351
  C      -0.199015      4.726577      7.835674
  C      -1.608657      5.307232      7.823578
  C       1.040004      2.669315      7.364690
  C       1.061881      2.603203      5.842121
  N      -0.196980      2.020096      5.424677
  H      -1.557056      6.371176      7.513196
  H      -2.037854      5.313426      8.850740
  H       0.342069      5.062843      6.939033
  H       0.367030      5.071886      8.722869
  H       1.917088      1.998293      5.491214
  H       1.205986      3.624023      5.426899
  H       1.095581      1.647170      7.763812
  H       1.881206      3.251940      7.782735
  H      -1.974477      0.906013      9.537251
  H      -0.652134      0.551191      8.405038
  H      -1.591994      3.295475      9.395585
  H      -0.034472      2.510206      9.778149
  C      -3.848350      4.903148      6.964817
  C      -4.728184      3.905537      6.280604
  C      -5.924198      4.155514      5.709166
  C      -6.625585      3.128282      4.943818
  N      -5.932298      2.034935      4.604572
  C      -6.529891      1.122616      3.804243
  N      -7.754440      1.165800      3.294895
  C      -8.505485      2.247632      3.657737
  C      -9.843833      2.335746      3.194726
  C     -10.643783      3.397120      3.571253
  C     -10.138212      4.411823      4.421601
  C      -8.832991      4.358277      4.875548
  C      -7.985809      3.281855      4.506197
  C      -0.216541      1.131097      4.269629
  C      -0.921576     -0.143379      4.638478
  C      -1.970100     -0.783027      4.063801
  C      -2.774819     -0.404781      2.906512
  N      -2.476499      0.710401      2.224169
  C      -3.335005      1.110118      1.256821
  N      -4.439871      0.508742      0.835969
  C      -4.735666     -0.673939      1.456068
  C      -5.903681     -1.376723      1.063897
  C      -6.259647     -2.550349      1.699494
  C      -5.453950     -3.072119      2.738927
  C      -4.309739     -2.406674      3.138764
  C      -3.923082     -1.189193      2.523082
  C      -3.468679      0.503112      7.503089
  C      -4.629343      1.074112      8.277503
  C      -5.949352      0.852987      8.092399
  C      -6.536285     -0.130904      7.191442
  N      -5.786037     -1.174202      6.817250
  C      -6.369179     -2.120096      6.040488
  N      -7.624282     -2.170799      5.619151
  C      -8.409603     -1.103157      5.962543
  C      -9.749735     -1.059173      5.500702
  C     -10.551973      0.025022      5.797856
  C     -10.049982      1.100939      6.569116
  C      -8.750078      1.079643      7.037695
  C      -7.902147     -0.021782      6.755216
  H      -4.009632      5.919877      6.552131
  H      -4.177745      4.959236      8.031618
  H      -4.366804      2.878193      6.218755
  H      -6.349874      5.162250      5.739825
  H      -5.904597      0.264656      3.528380
  H     -10.212702      1.534330      2.550384
  H     -11.675618      3.457308      3.214739
  H     -10.783182      5.244654      4.713279
  H      -8.459615      5.145082      5.534537
  H       0.828871      0.857558      4.012515
  H      -0.669717      1.590550      3.378998
  H      -0.523408     -0.597533      5.555016
  H      -2.309361     -1.681700      4.583731
  H      -3.103220      2.076011      0.795432
  H      -6.510519     -0.945808      0.264528
  H      -7.172046     -3.076299      1.407760
  H      -5.752052     -3.994975      3.240830
  H      -3.685538     -2.834966      3.924211
  H      -3.164769     -0.473689      7.928469
  H      -3.782035      0.292001      6.468087
  H      -4.346324      1.828129      9.021659
  H      -6.650795      1.461185      8.669875
  H      -5.714129     -2.954266      5.754805
  H     -10.108340     -1.893002      4.893027
  H     -11.578322      0.064301      5.423798
  H     -10.686994      1.965396      6.771939
  H      -8.368446      1.925971      7.611743
  N      -2.767296      2.787362      4.534929
  H      -3.427230      2.578774      3.785460
91
Coordinates from ORCA-job orca E -6200.081366421984
  N      -2.447894      4.515450      6.932606
  Mo     -1.915040      2.774946      6.101730
  N      -2.350984      1.429688      7.524982
  C      -1.449255      1.282382      8.657163
  C      -0.815101      2.617713      9.007730
  N      -0.263325      3.237198      7.781189
  C      -0.205062      4.711332      7.836762
  C      -1.614797      5.290550      7.821447
  C       1.034838      2.652376      7.370419
  C       1.063801      2.598162      5.848431
  N      -0.195650      2.028268      5.412840
  H      -1.561498      6.355802      7.515852
  H      -2.047652      5.293405      8.847076
  H       0.336643      5.046485      6.940137
  H       0.358427      5.061169      8.723917
  H       1.917612      1.991653      5.497356
  H       1.216985      3.621517      5.442839
  H       1.085094      1.627411      7.763113
  H       1.877761      3.228132      7.794589
  H      -1.983201      0.899247      9.547776
  H      -0.655454      0.537052      8.424773
  H      -1.592870      3.285595      9.403320
  H      -0.035747      2.500563      9.785964
  C      -3.850952      4.905276      6.956152
  C      -4.745840      3.915364      6.282860
  C      -5.933954      4.175084      5.699818
  C      -6.637018      3.146985      4.935951
  N      -5.938666      2.061159      4.583787
  C      -6.534417      1.150774      3.780069
  N      -7.761449      1.190281      3.277180
  C      -8.518668      2.262175      3.655830
  C      -9.861755      2.342997      3.205552
  C     -10.668986      3.391024      3.603211
  C     -10.166090      4.400270      4.461614
  C      -8.855807      4.355374      4.901489
  C      -8.001549      3.292400      4.510741
  C      -0.204689      1.157381      4.242987
  C      -0.870676     -0.141371      4.599505
  C      -1.921018     -0.789300      4.036511
  C      -2.752032     -0.409408      2.898916
  N      -2.471331      0.709471      2.213723
  C      -3.345684      1.103818      1.259058
  N      -4.446232      0.489907      0.845095
  C      -4.724567     -0.696219      1.466959
  C      -5.887124     -1.411726      1.082009
  C      -6.230025     -2.586008      1.723675
  C      -5.416022     -3.095274      2.762417
  C      -4.275589     -2.418267      3.153843
  C      -3.900675     -1.201090      2.530294
  C      -3.468810      0.491838      7.509994
  C      -4.630624      1.078850      8.271195
  C      -5.951216      0.870341      8.076550
  C      -6.541458     -0.112313      7.176229
  N      -5.797007     -1.161862      6.808555
  C      -6.383607     -2.107186      6.033871
  N      -7.637415     -2.150955      5.608674
  C      -8.417630     -1.077979      5.947044
  C      -9.757176     -1.029484      5.484071
  C     -10.556466      0.056511      5.782039
  C     -10.051676      1.130412      6.554054
  C      -8.751264      1.106396      7.020772
  C      -7.906206      0.002804      6.737919
  H      -4.001009      5.921852      6.539130
  H      -4.175217      4.971372      8.024013
  H      -4.399001      2.882565      6.238060
  H      -6.349952      5.186188      5.717292
  H      -5.903681      0.300481      3.493068
  H     -10.228755      1.545674      2.555192
  H     -11.704774      3.444624      3.257445
  H     -10.817090      5.222148      4.770254
  H      -8.483248      5.137543      5.566499
  H       0.844055      0.919415      3.966200
  H      -0.683652      1.618430      3.367236
  H      -0.442820     -0.605396      5.497491
  H      -2.233858     -1.702080      4.548337
  H      -3.132161      2.075440      0.801259
  H      -6.501761     -0.988855      0.284372
  H      -7.138729     -3.121344      1.437754
  H      -5.704436     -4.017942      3.270232
  H      -3.645331     -2.837778      3.939049
  H      -3.172382     -0.480835      7.949295
  H      -3.775461      0.272021      6.475066
  H      -4.345994      1.832366      9.015140
  H      -6.651044      1.487266      8.646533
  H      -5.733162     -2.947555      5.755708
  H     -10.118471     -1.862566      4.877084
  H     -11.582805      0.098654      5.408486
  H     -10.686720      1.995779      6.758503
  H      -8.367568      1.951448      7.595187
  N      -2.788766      2.756195      4.555991
  H      -3.458340      2.532297      3.819469
91
Coordinates from ORCA-job orca E -6200.082722783362
  N      -2.457079      4.501816      6.924706
  Mo     -1.914725      2.757933      6.106573
  N      -2.346717      1.411583      7.526653
  C      -1.451112      1.266677      8.664475
  C      -0.817860      2.602445      9.013323
  N      -0.268541      3.221350      7.785410
  C      -0.214880      4.695536      7.839030
  C      -1.625525      5.271118      7.821472
  C       1.029131      2.638065      7.373628
  C       1.065631      2.598683      5.852283
  N      -0.193421      2.040933      5.398265
  H      -1.572300      6.338195      7.522319
  H      -2.061941      5.268308      8.845569
  H       0.327001      5.031870      6.943005
  H       0.345675      5.048873      8.726753
  H       1.918975      1.992229      5.500389
  H       1.226431      3.625177      5.457778
  H       1.075627      1.609679      7.757885
  H       1.872644      3.207494      7.805269
  H      -1.990362      0.886395      9.553004
  H      -0.656956      0.519936      8.438629
  H      -1.595679      3.269950      9.409508
  H      -0.037521      2.487114      9.790815
  C      -3.857136      4.902826      6.948969
  C      -4.764682      3.920802      6.283852
  C      -5.944596      4.190151      5.688838
  C      -6.649954      3.162585      4.924987
  N      -5.948094      2.083853      4.558650
  C      -6.543524      1.176947      3.750698
  N      -7.773127      1.214875      3.254561
  C      -8.534440      2.277927      3.649188
  C      -9.881381      2.354806      3.209943
  C     -10.693200      3.391570      3.627300
  C     -10.191224      4.393873      4.494351
  C      -8.876864      4.354087      4.922264
  C      -8.018147      3.302558      4.511335
  C      -0.190168      1.187891      4.214152
  C      -0.813283     -0.134788      4.559151
  C      -1.864878     -0.792978      4.009747
  C      -2.722918     -0.413366      2.892850
  N      -2.460242      0.707695      2.202502
  C      -3.351900      1.095887      1.261969
  N      -4.450456      0.470668      0.859447
  C      -4.711715     -0.716961      1.486376
  C      -5.871475     -1.443510      1.114219
  C      -6.200737     -2.617008      1.764739
  C      -5.375317     -3.113783      2.800158
  C      -4.236324     -2.426487      3.178099
  C      -3.873692     -1.211306      2.543632
  C      -3.467648      0.475947      7.511489
  C      -4.629481      1.075550      8.263359
  C      -5.950886      0.879773      8.061464
  C      -6.546841     -0.098758      7.160252
  N      -5.810047     -1.154413      6.795099
  C      -6.402771     -2.096474      6.021086
  N      -7.656061     -2.130693      5.594024
  C      -8.429124     -1.052216      5.931248
  C      -9.768740     -0.996232      5.469383
  C     -10.562858      0.092296      5.771470
  C     -10.052295      1.161898      6.545503
  C      -8.750863      1.131892      7.008774
  C      -7.910946      0.025276      6.722165
  H      -3.997405      5.919702      6.529541
  H      -4.176908      4.976156      8.017767
  H      -4.431357      2.882896      6.255203
  H      -6.350865      5.205395      5.694527
  H      -5.909026      0.333529      3.451938
  H     -10.247866      1.562709      2.552995
  H     -11.732175      3.441338      3.290726
  H     -10.846148      5.206441      4.818836
  H      -8.503768      5.130629      5.593653
  H       0.861059      0.988711      3.918197
  H      -0.696796      1.647463      3.353810
  H      -0.354756     -0.605491      5.438336
  H      -2.150034     -1.718949      4.514026
  H      -3.155230      2.071063      0.804164
  H      -6.496073     -1.028832      0.320045
  H      -7.107606     -3.160587      1.488810
  H      -5.653446     -4.035136      3.316046
  H      -3.597802     -2.837009      3.961334
  H      -3.177148     -0.493780      7.960672
  H      -3.769372      0.250273      6.476544
  H      -4.342234      1.827060      9.008264
  H      -6.647594      1.504249      8.626914
  H      -5.758800     -2.943274      5.747366
  H     -10.134887     -1.826690      4.861772
  H     -11.589651      0.139766      5.399934
  H     -10.683453      2.029102      6.753717
  H      -8.362863      1.973929      7.584630
  N      -2.811438      2.723434      4.575288
  H      -3.490687      2.483840      3.852472
91
Coordinates from ORCA-job orca E -6200.084208968611
  N      -2.466526      4.488464      6.915696
  Mo     -1.915467      2.740915      6.110102
  N      -2.343862      1.393088      7.525878
  C      -1.454939      1.249640      8.669623
  C      -0.822542      2.585612      9.017759
  N      -0.275181      3.204457      7.789023
  C      -0.225432      4.678600      7.841617
  C      -1.636711      5.251019      7.821405
  C       1.022064      2.622630      7.376584
  C       1.066870      2.599991      5.856117
  N      -0.191646      2.055715      5.382771
  H      -1.583169      6.320041      7.529459
  H      -2.077279      5.241869      8.843638
  H       0.317202      5.016333      6.946634
  H       0.331967      5.034538      8.730366
  H       1.919613      1.993515      5.503219
  H       1.235920      3.629753      5.473923
  H       1.064073      1.590387      7.751033
  H       1.866072      3.184750      7.816925
  H      -2.000113      0.872020      9.555535
  H      -0.660734      0.501343      8.450272
  H      -1.600534      3.252601      9.414521
  H      -0.041475      2.471656      9.794664
  C      -3.863290      4.900937      6.941564
  C      -4.783082      3.927276      6.284192
  C      -5.954049      4.206932      5.676630
  C      -6.663781      3.180425      4.914259
  N      -5.961062      2.106428      4.536202
  C      -6.558774      1.202103      3.726980
  N      -7.791262      1.239638      3.238580
  C      -8.553756      2.296861      3.646157
  C      -9.904288      2.371909      3.217830
  C     -10.717387      3.401226      3.650858
  C     -10.213299      4.398134      4.522869
  C      -8.895252      4.361007      4.939409
  C      -8.035303      3.317221      4.512067
  C      -0.175474      1.221763      4.184028
  C      -0.753694     -0.124136      4.516428
  C      -1.805528     -0.794196      3.980953
  C      -2.690121     -0.416687      2.884903
  N      -2.443562      0.703994      2.186328
  C      -3.350935      1.084183      1.258257
  N      -4.447957      0.448188      0.868427
  C      -4.694133     -0.738539      1.503676
  C      -5.851315     -1.475756      1.145191
  C      -6.168633     -2.646356      1.807119
  C      -5.333566     -3.128479      2.841311
  C      -4.196128     -2.430866      3.205446
  C      -3.843760     -1.220170      2.556978
  C      -3.468434      0.460433      7.510050
  C      -4.629494      1.070950      8.254718
  C      -5.951554      0.886053      8.047628
  C      -6.552970     -0.089308      7.146400
  N      -5.823426     -1.150985      6.784572
  C      -6.422272     -2.091039      6.012873
  N      -7.675151     -2.116907      5.584589
  C      -8.441288     -1.032769      5.919368
  C      -9.780985     -0.970169      5.458682
  C     -10.569964      0.121270      5.763262
  C     -10.053716      1.187704      6.537757
  C      -8.751324      1.152468      6.997682
  C      -7.916522      0.042530      6.708858
  H      -3.993899      5.918225      6.520336
  H      -4.178196      4.980665      8.011362
  H      -4.463854      2.884068      6.272655
  H      -6.349028      5.226668      5.669918
  H      -5.922538      0.363756      3.417857
  H     -10.272599      1.583892      2.557066
  H     -11.759227      3.449033      3.323072
  H     -10.869532      5.204422      4.860022
  H      -8.519411      5.133123      5.614445
  H       0.876918      1.063326      3.869573
  H      -0.710303      1.678277      3.339808
  H      -0.264514     -0.599277      5.376486
  H      -2.061857     -1.732881      4.477174
  H      -3.169178      2.060808      0.797450
  H      -6.484549     -1.070806      0.352857
  H      -7.073793     -3.197928      1.541791
  H      -5.602864     -4.046669      3.367401
  H      -3.550951     -2.830681      3.988687
  H      -3.183731     -0.507346      7.966667
  H      -3.766353      0.231118      6.475014
  H      -4.339467      1.820705      9.000265
  H      -6.645102      1.516946      8.609733
  H      -5.784600     -2.944173      5.744328
  H     -10.151904     -1.798866      4.851631
  H     -11.597198      0.173430      5.393723
  H     -10.680922      2.057133      6.748164
  H      -8.359031      1.992375      7.573665
  N      -2.835408      2.688444      4.594220
  H      -3.524458      2.431960      3.886350
91
Coordinates from ORCA-job orca E -6200.085795384398
  N      -2.476831      4.473894      6.903178
  Mo     -1.916577      2.722162      6.111560
  N      -2.341488      1.373918      7.523284
  C      -1.459637      1.232323      8.673286
  C      -0.828945      2.568937      9.020804
  N      -0.283159      3.187623      7.791436
  C      -0.237840      4.661691      7.842588
  C      -1.649947      5.230142      7.818554
  C       1.014312      2.607843      7.379511
  C       1.068184      2.601341      5.860221
  N      -0.189078      2.069727      5.367707
  H      -1.596564      6.301088      7.533939
  H      -2.095524      5.214215      8.838458
  H       0.306022      5.000697      6.948891
  H       0.315704      5.020633      8.732590
  H       1.920755      1.995014      5.507051
  H       1.245048      3.634055      5.489952
  H       1.052264      1.571989      7.744404
  H       1.858076      3.163261      7.828893
  H      -2.011007      0.857312      9.556306
  H      -0.665167      0.482748      8.460724
  H      -1.607781      3.235094      9.417345
  H      -0.047567      2.457078      9.797617
  C      -3.870752      4.895739      6.931963
  C      -4.801237      3.929054      6.282820
  C      -5.962999      4.218153      5.662270
  C      -6.678349      3.192948      4.902317
  N      -5.977069      2.121577      4.514283
  C      -6.578841      1.220308      3.704571
  N      -7.813897      1.259541      3.223408
  C      -8.574933      2.313676      3.641361
  C      -9.928014      2.390443      3.221584
  C     -10.739328      3.416260      3.666103
  C     -10.231028      4.408131      4.541327
  C      -8.910341      4.369853      4.949181
  C      -8.052227      3.329841      4.509552
  C      -0.158614      1.255321      4.154580
  C      -0.691935     -0.112312      4.472209
  C      -1.743183     -0.793860      3.949243
  C      -2.653086     -0.417013      2.874679
  N      -2.419117      0.701248      2.166284
  C      -3.341330      1.075526      1.251223
  N      -4.439803      0.432898      0.876602
  C      -4.675104     -0.750647      1.522400
  C      -5.833122     -1.494013      1.180355
  C      -6.142369     -2.659287      1.855681
  C      -5.298387     -3.128664      2.888055
  C      -4.159287     -2.425078      3.235869
  C      -3.812926     -1.221704      2.570894
  C      -3.469868      0.444578      7.507480
  C      -4.629069      1.064084      8.248028
  C      -5.951822      0.887798      8.038898
  C      -6.558635     -0.084997      7.138309
  N      -5.835772     -1.152221      6.779850
  C      -6.440561     -2.090779      6.011035
  N      -7.692948     -2.108961      5.581564
  C      -8.452411     -1.019236      5.913220
  C      -9.792083     -0.950453      5.453493
  C     -10.576007      0.144022      5.759721
  C     -10.054290      1.207810      6.534042
  C      -8.751134      1.167629      6.991081
  C      -7.921469      0.054176      6.701012
  H      -3.993742      5.913069      6.508917
  H      -4.179982      4.981213      8.002941
  H      -4.495132      2.880898      6.289527
  H      -6.345978      5.242329      5.642497
  H      -5.942876      0.385335      3.386263
  H     -10.299746      1.606358      2.558143
  H     -11.783166      3.465029      3.345049
  H     -10.886106      5.211345      4.887781
  H      -8.530216      5.137897      5.626511
  H       0.893856      1.138293      3.823964
  H      -0.720197      1.707427      3.326046
  H      -0.173511     -0.591069      5.312872
  H      -1.971096     -1.745130      4.435237
  H      -3.170153      2.051308      0.784678
  H      -6.474323     -1.097320      0.390290
  H      -7.048386     -3.215319      1.603118
  H      -5.562036     -4.041524      3.426090
  H      -3.508660     -2.815073      4.019488
  H      -3.190074     -0.522238      7.968730
  H      -3.765881      0.213637      6.472523
  H      -4.335708      1.812667      8.993378
  H      -6.642044      1.523751      8.599273
  H      -5.809068     -2.950052      5.748030
  H     -10.167602     -1.777728      4.847425
  H     -11.603598      0.200545      5.392003
  H     -10.677620      2.079539      6.745917
  H      -8.354649      2.005761      7.566698
  N      -2.859767      2.646615      4.612305
  H      -3.558314      2.370217      3.921025
91
Coordinates from ORCA-job orca E -6200.087273754402
  N      -2.486769      4.458119      6.889251
  Mo     -1.918739      2.700746      6.113939
  N      -2.340035      1.353998      7.523789
  C      -1.464946      1.216022      8.680135
  C      -0.835654      2.553915      9.024950
  N      -0.291223      3.170276      7.793835
  C      -0.249139      4.644435      7.840739
  C      -1.661659      5.209761      7.812037
  C       1.006273      2.591097      7.383520
  C       1.069100      2.599283      5.865722
  N      -0.187584      2.081648      5.355232
  H      -1.608060      6.281877      7.532149
  H      -2.111612      5.189769      8.829846
  H       0.296031      4.982579      6.947568
  H       0.301004      5.007625      8.731184
  H       1.920712      1.991966      5.512358
  H       1.254739      3.634288      5.506520
  H       1.039477      1.552129      7.740018
  H       1.850068      3.139633      7.841377
  H      -2.022419      0.845170      9.560919
  H      -0.670432      0.464655      8.475527
  H      -1.615151      3.220047      9.420251
  H      -0.053896      2.445225      9.801754
  C      -3.877017      4.891698      6.919957
  C      -4.819071      3.932278      6.280719
  C      -5.971076      4.231110      5.646825
  C      -6.693407      3.207586      4.890264
  N      -5.994199      2.139003      4.490783
  C      -6.601447      1.241083      3.681263
  N      -7.839863      1.282340      3.209219
  C      -8.598633      2.333305      3.639050
  C      -9.954817      2.412146      3.229847
  C     -10.763438      3.434498      3.687303
  C     -10.249402      4.420936      4.565287
  C      -8.925527      4.381047      4.962641
  C      -8.070182      3.344839      4.509137
  C      -0.144280      1.288791      4.126756
  C      -0.632030     -0.099589      4.427028
  C      -1.682257     -0.792837      3.916474
  C      -2.619096     -0.416296      2.866013
  N      -2.402861      0.703161      2.152309
  C      -3.341125      1.070123      1.251265
  N      -4.437584      0.416803      0.889031
  C      -4.656695     -0.766632      1.541304
  C      -5.811060     -1.521055      1.211965
  C      -6.106486     -2.685003      1.896161
  C      -5.252334     -3.140421      2.926044
  C      -4.116020     -2.425812      3.261391
  C      -3.781330     -1.226085      2.583991
  C      -3.472724      0.428495      7.509449
  C      -4.630004      1.058725      8.244319
  C      -5.953229      0.891989      8.031525
  C      -6.564556     -0.078094      7.130873
  N      -5.847492     -1.150119      6.775636
  C      -6.456724     -2.086639      6.007811
  N      -7.708124     -2.097248      5.575495
  C      -8.461903     -1.002803      5.904546
  C      -9.801042     -0.928021      5.444244
  C     -10.580882      0.168765      5.752373
  C     -10.055149      1.229347      6.528316
  C      -8.751725      1.184397      6.983993
  C      -7.926232      0.068193      6.692423
  H      -3.990768      5.908451      6.493277
  H      -4.180710      4.985268      7.991802
  H      -4.528092      2.878535      6.307911
  H      -6.340509      5.259929      5.612668
  H      -5.966381      0.409660      3.352346
  H     -10.331128      1.632300      2.564039
  H     -11.809687      3.484531      3.374495
  H     -10.902582      5.221059      4.922232
  H      -8.539952      5.144597      5.642051
  H       0.906296      1.214171      3.779515
  H      -0.732890      1.736602      3.315272
  H      -0.082911     -0.582512      5.245503
  H      -1.879049     -1.758061      4.388511
  H      -3.185208      2.047337      0.782548
  H      -6.461468     -1.133431      0.424931
  H      -7.009808     -3.249623      1.653334
  H      -5.505699     -4.051308      3.472282
  H      -3.459235     -2.804441      4.045476
  H      -3.198376     -0.536596      7.977222
  H      -3.766695      0.194088      6.475001
  H      -4.333516      1.806073      8.989625
  H      -6.640423      1.533552      8.589114
  H      -5.830419     -2.950929      5.749367
  H     -10.179938     -1.753369      4.837713
  H     -11.608412      0.229532      5.385293
  H     -10.675364      2.102763      6.742008
  H      -8.352237      2.020396      7.560582
  N      -2.885272      2.600382      4.632324
  H      -3.594495      2.304728      3.959472
91
Coordinates from ORCA-job orca E -6200.088602080622
  N      -2.496420      4.441740      6.874879
  Mo     -1.921470      2.678250      6.116626
  N      -2.339182      1.333689      7.525598
  C      -1.471106      1.200611      8.688670
  C      -0.842975      2.539937      9.029653
  N      -0.299244      3.152637      7.796250
  C      -0.259540      4.626949      7.837558
  C      -1.672294      5.189626      7.803845
  C       0.998128      2.573035      7.388391
  C       1.070141      2.594929      5.872337
  N      -0.186511      2.092928      5.344773
  H      -1.618349      6.262542      7.527371
  H      -2.126191      5.166900      8.819724
  H       0.287033      4.963146      6.944568
  H       0.287469      4.994865      8.728049
  H       1.919958      1.985335      5.518974
  H       1.265849      3.631556      5.523485
  H       1.025863      1.531265      7.737195
  H       1.842139      3.114333      7.854547
  H      -2.034950      0.834810      9.567354
  H      -0.676556      0.447244      8.493104
  H      -1.623092      3.206618      9.422829
  H      -0.061067      2.434965      9.806746
  C      -3.882476      4.888256      6.907181
  C      -4.836385      3.936393      6.278501
  C      -5.978015      4.245113      5.630806
  C      -6.707467      3.223777      4.877236
  N      -6.010483      2.157955      4.466015
  C      -6.623669      1.263381      3.657054
  N      -7.865578      1.306822      3.194479
  C      -8.621689      2.354841      3.636140
  C      -9.980939      2.436064      3.237734
  C     -10.786432      3.455263      3.708047
  C     -10.266251      4.436077      4.588689
  C      -8.939229      4.394112      4.975567
  C      -8.087107      3.361548      4.508100
  C      -0.131493      1.323332      4.100256
  C      -0.573814     -0.084268      4.380566
  C      -1.622493     -0.789346      3.882088
  C      -2.587334     -0.413831      2.857630
  N      -2.393660      0.709153      2.141546
  C      -3.350156      1.067455      1.256759
  N      -4.442715      0.400646      0.906850
  C      -4.640888     -0.784613      1.563136
  C      -5.789624     -1.552911      1.247022
  C      -6.066109     -2.717885      1.937932
  C      -5.198533     -3.158828      2.962596
  C      -4.066854     -2.430380      3.284870
  C      -3.749246     -1.231834      2.597267
  C      -3.475625      0.411266      7.512355
  C      -4.631325      1.051996      8.240899
  C      -5.954819      0.895436      8.023055
  C      -6.570379     -0.070711      7.120819
  N      -5.858885     -1.146727      6.766855
  C      -6.472396     -2.080059      5.998423
  N      -7.723087     -2.083018      5.563981
  C      -8.471628     -0.984959      5.892991
  C      -9.810700     -0.904381      5.433461
  C     -10.587086      0.193501      5.746295
  C     -10.057410      1.249883      6.525269
  C      -8.753175      1.200456      6.978119
  C      -7.931228      0.082681      6.682257
  H      -3.986270      5.904090      6.476091
  H      -4.180528      4.990912      7.979750
  H      -4.561822      2.877017      6.327142
  H      -6.332961      5.278509      5.581664
  H      -5.990043      0.435080      3.317951
  H     -10.362171      1.660555      2.569681
  H     -11.835045      3.506852      3.403562
  H     -10.917166      5.233289      4.956110
  H      -8.547847      5.152975      5.657030
  H       0.915509      1.291207      3.737193
  H      -0.746262      1.766938      3.306482
  H       0.006661     -0.571521      5.174447
  H      -1.787043     -1.768418      4.337948
  H      -3.213529      2.047556      0.788138
  H      -6.451837     -1.174816      0.465188
  H      -6.965094     -3.293515      1.705146
  H      -5.437376     -4.069804      3.515231
  H      -3.401245     -2.796901      4.067358
  H      -3.206429     -0.551753      7.987077
  H      -3.767064      0.172891      6.478389
  H      -4.332224      1.797379      8.987099
  H      -6.639123      1.542401      8.577855
  H      -5.851133     -2.948691      5.742796
  H     -10.192870     -1.727035      4.825366
  H     -11.615007      0.258288      5.381094
  H     -10.675103      2.123952      6.743231
  H      -8.350877      2.033574      7.556889
  N      -2.911233      2.552494      4.653624
  H      -3.631991      2.238884      4.000662
91
Coordinates from ORCA-job orca E -6200.089946010839
  N      -2.505015      4.426462      6.858170
  Mo     -1.923280      2.656705      6.117703
  N      -2.339028      1.314177      7.524757
  C      -1.479873      1.185712      8.695824
  C      -0.852639      2.526114      9.033756
  N      -0.307866      3.134693      7.798684
  C      -0.269600      4.609098      7.834578
  C      -1.682380      5.169690      7.794627
  C       0.989309      2.553493      7.394782
  C       1.072638      2.588729      5.880610
  N      -0.184094      2.105143      5.334916
  H      -1.627564      6.243517      7.522277
  H      -2.141294      5.143670      8.808001
  H       0.279474      4.943140      6.942385
  H       0.273601      4.981250      8.725654
  H       1.919664      1.974668      5.528664
  H       1.281281      3.626059      5.541763
  H       1.009946      1.508938      7.735744
  H       1.833420      3.086438      7.870423
  H      -2.051724      0.825377      9.571392
  H      -0.685597      0.429856      8.510637
  H      -1.633514      3.193775      9.423739
  H      -0.071561      2.424548      9.812007
  C      -3.887104      4.885549      6.892384
  C      -4.852519      3.940926      6.274166
  C      -5.982956      4.258932      5.611649
  C      -6.720735      3.239379      4.862901
  N      -6.027816      2.173861      4.442744
  C      -6.648948      1.281352      3.637446
  N      -7.894414      1.327555      3.185011
  C      -8.645802      2.375351      3.635401
  C     -10.007934      2.460194      3.247968
  C     -10.808101      3.479385      3.727794
  C     -10.279676      4.456390      4.607604
  C      -8.949651      4.410919      4.984022
  C      -8.102984      3.378913      4.505827
  C      -0.116823      1.359194      4.074667
  C      -0.515445     -0.065415      4.333308
  C      -1.562441     -0.781747      3.846374
  C      -2.554242     -0.407945      2.848091
  N      -2.382554      0.717338      2.128673
  C      -3.356552      1.065992      1.259774
  N      -4.445415      0.386271      0.923243
  C      -4.623552     -0.799461      1.584952
  C      -5.767123     -1.580841      1.283350
  C      -6.024849     -2.746023      1.981594
  C      -5.143484     -3.172516      3.000242
  C      -4.016129     -2.430843      3.308357
  C      -3.715645     -1.234037      2.610184
  C      -3.479057      0.394623      7.510898
  C      -4.633114      1.044018      8.234500
  C      -5.956901      0.896107      8.013413
  C      -6.577305     -0.066822      7.110825
  N      -5.871597     -1.146900      6.757899
  C      -6.490397     -2.077653      5.990525
  N      -7.740900     -2.073563      5.555791
  C      -8.483934     -0.971845      5.884934
  C      -9.823602     -0.886186      5.428205
  C     -10.596137      0.213037      5.745644
  C     -10.061379      1.266221      6.525385
  C      -8.755742      1.212895      6.973618
  C      -7.937828      0.093180      6.673758
  H      -3.981481      5.900222      6.456757
  H      -4.178989      4.997191      7.965694
  H      -4.594879      2.876667      6.345498
  H      -6.322456      5.296690      5.546067
  H      -6.018794      0.453719      3.290877
  H     -10.395759      1.687602      2.580386
  H     -11.858943      3.533551      3.431700
  H     -10.926586      5.253133      4.982937
  H      -8.550830      5.166450      5.664959
  H       0.925672      1.368486      3.698673
  H      -0.755306      1.798310      3.297788
  H       0.094797     -0.556357      5.102139
  H      -1.696263     -1.773067      4.285674
  H      -3.237938      2.047410      0.789193
  H      -6.441151     -1.212538      0.506962
  H      -6.919715     -3.332192      1.759716
  H      -5.367612     -4.083179      3.559534
  H      -3.341422     -2.785170      4.088693
  H      -3.214622     -0.567064      7.990703
  H      -3.767882      0.153913      6.477048
  H      -4.331497      1.787638      8.981381
  H      -6.638032      1.547839      8.566370
  H      -5.874459     -2.950469      5.737054
  H     -10.209837     -1.706814      4.820027
  H     -11.624992      0.281280      5.383898
  H     -10.676276      2.141104      6.747490
  H      -8.349767      2.043911      7.552760
  N      -2.935909      2.503972      4.674532
  H      -3.668459      2.172681      4.042843
91
Coordinates from ORCA-job orca E -6200.091261833400
  N      -2.513947      4.410973      6.839375
  Mo     -1.924843      2.635068      6.117549
  N      -2.338421      1.294451      7.522708
  C      -1.489187      1.171667      8.702521
  C      -0.863171      2.513527      9.037033
  N      -0.316891      3.117273      7.800192
  C      -0.279875      4.591874      7.829640
  C      -1.692773      5.150174      7.782975
  C       0.980103      2.533641      7.401327
  C       1.075967      2.580587      5.889143
  N      -0.181203      2.117624      5.325508
  H      -1.637449      6.224773      7.514266
  H      -2.156647      5.121134      8.793785
  H       0.271897      4.923072      6.938122
  H       0.259389      4.968799      8.721083
  H       1.918949      1.959626      5.539912
  H       1.300151      3.617378      5.559029
  H       0.992752      1.486613      7.735071
  H       1.824148      3.057916      7.886760
  H      -2.069878      0.817549      9.574591
  H      -0.695285      0.413058      8.529119
  H      -1.645051      3.182284      9.423039
  H      -0.083224      2.415939      9.816764
  C      -3.892539      4.881891      6.875812
  C      -4.869190      3.943709      6.268548
  C      -5.987908      4.269903      5.590482
  C      -6.734867      3.251972      4.847788
  N      -6.047114      2.185750      4.419205
  C      -6.677514      1.295638      3.618297
  N      -7.926531      1.345623      3.176415
  C      -8.671968      2.394204      3.635080
  C     -10.036796      2.483996      3.258827
  C     -10.830329      3.504353      3.747658
  C     -10.292417      4.477334      4.625923
  C      -8.959454      4.427046      4.991655
  C      -8.119591      3.394419      4.503192
  C      -0.101654      1.394067      4.050862
  C      -0.458924     -0.044845      4.288819
  C      -1.504388     -0.771482      3.813188
  C      -2.520458     -0.399757      2.839606
  N      -2.369568      0.727464      2.117358
  C      -3.359144      1.065952      1.262633
  N      -4.444232      0.374011      0.938956
  C      -4.603901     -0.811409      1.606519
  C      -5.742227     -1.605217      1.318782
  C      -5.981532     -2.770777      2.023376
  C      -5.086877     -3.183616      3.035698
  C      -3.964313     -2.429016      3.330750
  C      -3.680691     -1.233743      2.623001
  C      -3.481728      0.377185      7.508661
  C      -4.633989      1.034105      8.228326
  C      -5.958106      0.894374      8.005078
  C      -6.584138     -0.064718      7.102152
  N      -5.884595     -1.148613      6.748751
  C      -6.509511     -2.075850      5.981999
  N      -7.760057     -2.063929      5.547753
  C      -8.497046     -0.958666      5.878442
  C      -9.837478     -0.867045      5.425323
  C     -10.605295      0.233923      5.747945
  C     -10.064356      1.283463      6.528210
  C      -8.757310      1.225092      6.971555
  C      -7.944382      0.102893      6.667258
  H      -3.978371      5.894925      6.434989
  H      -4.177620      5.002942      7.949806
  H      -4.628837      2.875489      6.363799
  H      -6.311213      5.311651      5.507116
  H      -6.052302      0.467415      3.264931
  H     -10.432221      1.714399      2.592309
  H     -11.883320      3.562080      3.460179
  H     -10.934291      5.274469      5.008880
  H      -8.552221      5.179027      5.671599
  H       0.935486      1.443056      3.664423
  H      -0.761843      1.827570      3.289666
  H       0.178119     -0.537873      5.034189
  H      -1.610756     -1.772936      4.236880
  H      -3.256580      2.047406      0.788473
  H      -6.427391     -1.246483      0.547686
  H      -6.871980     -3.367223      1.811602
  H      -5.296106     -4.094474      3.600447
  H      -3.281034     -2.771443      4.108985
  H      -3.221108     -0.583136      7.993064
  H      -3.768272      0.133964      6.475074
  H      -4.329770      1.775948      8.975840
  H      -6.635593      1.550510      8.557102
  H      -5.899381     -2.952579      5.728939
  H     -10.228475     -1.685130      4.816859
  H     -11.635154      0.306392      5.390093
  H     -10.675711      2.159588      6.754748
  H      -8.346838      2.053751      7.550802
  N      -2.960557      2.453148      4.696013
  H      -3.705925      2.104815      4.087676
91
Coordinates from ORCA-job orca E -6200.092516179981
  N      -2.524871      4.395203      6.823040
  Mo     -1.927581      2.615142      6.116439
  N      -2.337626      1.273546      7.517539
  C      -1.498463      1.155604      8.705995
  C      -0.874007      2.498733      9.038775
  N      -0.326803      3.099493      7.800808
  C      -0.291389      4.574344      7.825595
  C      -1.704715      5.129811      7.773875
  C       0.970040      2.514091      7.405917
  C       1.078259      2.573810      5.895799
  N      -0.179750      2.133438      5.314988
  H      -1.649821      6.205500      7.510008
  H      -2.172637      5.096208      8.782416
  H       0.262511      4.903834      6.934838
  H       0.244364      4.955047      8.717509
  H       1.916081      1.944846      5.548670
  H       1.319309      3.609554      5.574773
  H       0.974755      1.464314      7.731170
  H       1.813865      3.029097      7.901664
  H      -2.088072      0.806682      9.573945
  H      -0.705001      0.394526      8.543763
  H      -1.657020      3.167750      9.421924
  H      -0.094891      2.404352      9.819545
  C      -3.900653      4.876425      6.863268
  C      -4.887809      3.944706      6.265389
  C      -5.994211      4.279156      5.571667
  C      -6.750357      3.264082      4.833704
  N      -6.068849      2.195509      4.398992
  C      -6.708933      1.308459      3.602124
  N      -7.960530      1.364272      3.168584
  C      -8.698911      2.415337      3.633324
  C     -10.065558      2.512117      3.266094
  C     -10.851413      3.535354      3.761900
  C     -10.303762      4.503848      4.638785
  C      -8.968640      4.446602      4.996076
  C      -8.136660      3.411639      4.499382
  C      -0.088487      1.433122      4.026057
  C      -0.402144     -0.018978      4.242875
  C      -1.444140     -0.758045      3.778282
  C      -2.484472     -0.391412      2.829494
  N      -2.357386      0.737431      2.104164
  C      -3.363298      1.062713      1.263910
  N      -4.443806      0.356745      0.955459
  C      -4.582277     -0.827728      1.630019
  C      -5.714568     -1.635627      1.359118
  C      -5.932066     -2.801353      2.070943
  C      -5.021706     -3.198431      3.075210
  C      -3.904939     -2.429033      3.354604
  C      -3.641558     -1.235594      2.636078
  C      -3.483544      0.357634      7.502721
  C      -4.633390      1.019792      8.221227
  C      -5.958040      0.888412      7.997269
  C      -6.591280     -0.064794      7.093029
  N      -5.899426     -1.152710      6.736768
  C      -6.532405     -2.074521      5.970005
  N      -7.783488     -2.052861      5.537884
  C      -8.512817     -0.943765      5.872495
  C      -9.854216     -0.843803      5.424250
  C     -10.615349      0.259786      5.753570
  C     -10.066001      1.304150      6.534760
  C      -8.757405      1.238223      6.972347
  C      -7.951444      0.112619      6.661967
  H      -3.979403      5.888265      6.418748
  H      -4.178294      5.004784      7.938168
  H      -4.664452      2.873559      6.383083
  H      -6.300767      5.324579      5.471287
  H      -6.090095      0.477663      3.244134
  H     -10.468854      1.745772      2.600611
  H     -11.905905      3.598298      3.481299
  H     -10.939765      5.302696      5.027815
  H      -8.552842      5.194581      5.675289
  H       0.941835      1.523183      3.630005
  H      -0.770655      1.859488      3.280917
  H       0.261537     -0.511701      4.964818
  H      -1.522165     -1.768629      4.186329
  H      -3.278539      2.043377      0.784608
  H      -6.412760     -1.288177      0.594579
  H      -6.817369     -3.409456      1.871396
  H      -5.213279     -4.109318      3.646176
  H      -3.211417     -2.757568      4.129837
  H      -3.225293     -0.602047      7.989536
  H      -3.768749      0.113527      6.469266
  H      -4.326011      1.758693      8.970296
  H      -6.630997      1.548060      8.550451
  H      -5.929480     -2.955390      5.715042
  H     -10.251605     -1.658099      4.814943
  H     -11.646324      0.338386      5.400461
  H     -10.672217      2.182305      6.766817
  H      -8.340711      2.063457      7.551940
  N      -2.986480      2.405111      4.717523
  H      -3.745415      2.042154      4.133400
91
Coordinates from ORCA-job orca E -6200.093735576430
  N      -2.538529      4.378957      6.811808
  Mo     -1.931222      2.598571      6.112972
  N      -2.336459      1.250187      7.504820
  C      -1.507471      1.133476      8.701447
  C      -0.885582      2.477349      9.037396
  N      -0.338345      3.080184      7.800560
  C      -0.305785      4.555258      7.826055
  C      -1.720108      5.106728      7.771930
  C       0.958925      2.495628      7.407248
  C       1.079084      2.572037      5.899212
  N      -0.179470      2.155099      5.301479
  H      -1.667047      6.184449      7.516680
  H      -2.191544      5.064366      8.778231
  H       0.249694      4.886581      6.937046
  H       0.226504      4.936860      8.719577
  H       1.911523      1.935815      5.552462
  H       1.336646      3.607143      5.589541
  H       0.956920      1.442253      7.720711
  H       1.801824      3.000740      7.914691
  H      -2.105889      0.786631      9.563948
  H      -0.714386      0.370714      8.547907
  H      -1.670216      3.144553      9.420238
  H      -0.107050      2.383987      9.818638
  C      -3.912909      4.866823      6.858047
  C      -4.908292      3.941324      6.265415
  C      -6.002450      4.284103      5.556983
  C      -6.768194      3.273506      4.822290
  N      -6.095501      2.198845      4.386600
  C      -6.746133      1.315864      3.593504
  N      -7.998398      1.381472      3.163825
  C      -8.727206      2.438966      3.629453
  C     -10.093898      2.547063      3.266400
  C     -10.869749      3.577277      3.764060
  C     -10.311635      4.541134      4.639037
  C      -8.975939      4.472580      4.992609
  C      -8.154243      3.430922      4.493110
  C      -0.077191      1.480758      3.997585
  C      -0.341963      0.016017      4.191087
  C      -1.377418     -0.739247      3.737732
  C      -2.444599     -0.381772      2.816572
  N      -2.346616      0.747532      2.086716
  C      -3.371772      1.055414      1.263753
  N      -4.447266      0.333143      0.976485
  C      -4.559590     -0.849014      1.660390
  C      -5.685282     -1.673153      1.412967
  C      -5.874972     -2.838396      2.133833
  C      -4.943396     -3.216927      3.125390
  C      -3.833084     -2.430508      3.382794
  C      -3.596172     -1.239363      2.651463
  C      -3.485125      0.335855      7.487595
  C      -4.630831      0.999695      8.210786
  C      -5.956600      0.876431      7.990115
  C      -6.599897     -0.068951      7.084693
  N      -5.918468     -1.161994      6.723861
  C      -6.562848     -2.076707      5.958102
  N      -7.814985     -2.042603      5.530238
  C      -8.533509     -0.928039      5.869664
  C      -9.875779     -0.815979      5.427260
  C     -10.626404      0.292941      5.762569
  C     -10.064882      1.331032      6.543248
  C      -8.754988      1.253447      6.974896
  C      -7.959889      0.121664      6.659004
  H      -3.987442      5.878834      6.413531
  H      -4.183136      4.997516      7.934291
  H      -4.699757      2.868355      6.401466
  H      -6.292546      5.332829      5.442153
  H      -6.136410      0.478606      3.235569
  H     -10.505718      1.784025      2.602443
  H     -11.924429      3.648861      3.486584
  H     -10.939923      5.345008      5.030052
  H      -8.551159      5.216369      5.670823
  H       0.944059      1.615402      3.591804
  H      -0.783090      1.898161      3.270210
  H       0.350546     -0.473617      4.887534
  H      -1.422883     -1.758624      4.128552
  H      -3.307485      2.033384      0.775784
  H      -6.400610     -1.339373      0.658302
  H      -6.754635     -3.459813      1.951577
  H      -5.112502     -4.127348      3.704135
  H      -3.125256     -2.742727      4.151835
  H      -3.227997     -0.625496      7.971616
  H      -3.771282      0.095615      6.453804
  H      -4.318580      1.734004      8.962259
  H      -6.623386      1.538127      8.548074
  H      -5.969559     -2.962668      5.699493
  H     -10.282358     -1.625489      4.817785
  H     -11.658245      0.380780      5.414498
  H     -10.662806      2.213530      6.779899
  H      -8.329011      2.074472      7.553589
  N      -3.011423      2.364495      4.735543
  H      -3.782796      1.990012      4.173631
91
Coordinates from ORCA-job orca E -6200.094903510767
  N      -2.553955      4.362376      6.805244
  Mo     -1.935690      2.584769      6.107609
  N      -2.335299      1.224929      7.486126
  C      -1.516270      1.106393      8.690344
  C      -0.897357      2.450423      9.033260
  N      -0.350844      3.059274      7.799270
  C      -0.321716      4.534602      7.829713
  C      -1.737370      5.081647      7.775655
  C       0.947163      2.477457      7.405284
  C       1.078412      2.573469      5.899411
  N      -0.180621      2.180777      5.285692
  H      -1.687036      6.161983      7.531751
  H      -2.211435      5.027600      8.779881
  H       0.234743      4.870284      6.943047
  H       0.207579      4.914658      8.725550
  H       1.905086      1.930474      5.551407
  H       1.352175      3.608080      5.602764
  H       0.939541      1.419971      7.704492
  H       1.788703      2.972162      7.925092
  H      -2.123195      0.759269      9.546516
  H      -0.723671      0.342409      8.543326
  H      -1.683746      3.114384      9.417891
  H      -0.119105      2.356133      9.814391
  C      -3.928032      4.854081      6.858767
  C      -4.929695      3.934458      6.267884
  C      -6.011670      4.285748      5.545632
  C      -6.786707      3.280778      4.812830
  N      -6.124416      2.196967      4.381709
  C      -6.785592      1.317852      3.592945
  N      -8.036712      1.395560      3.162786
  C      -8.754390      2.462917      3.623502
  C     -10.119615      2.584600      3.260304
  C     -10.884310      3.624839      3.754753
  C     -10.315966      4.584992      4.626695
  C      -8.981049      4.502931      4.980559
  C      -8.170809      3.451308      4.483627
  C      -0.069106      1.534765      3.966495
  C      -0.281473      0.058853      4.134907
  C      -1.307977     -0.715027      3.692876
  C      -2.403518     -0.369666      2.801874
  N      -2.338603      0.758956      2.066903
  C      -3.385157      1.046549      1.264145
  N      -4.455745      0.307147      1.003907
  C      -4.538221     -0.871291      1.698729
  C      -5.657287     -1.712368      1.481156
  C      -5.813954     -2.876699      2.211572
  C      -4.855820     -3.235758      3.184567
  C      -3.752212     -2.431478      3.414061
  C      -3.547503     -1.242646      2.669448
  C      -3.486906      0.312517      7.465497
  C      -4.627226      0.974474      8.198526
  C      -5.954549      0.858607      7.984584
  C      -6.609773     -0.077119      7.077667
  N      -5.940566     -1.175721      6.710620
  C      -6.598546     -2.081855      5.946318
  N      -7.851915     -2.033307      5.524077
  C      -8.557365     -0.912217      5.868933
  C      -9.900043     -0.784985      5.432384
  C     -10.637134      0.331472      5.772474
  C     -10.060867      1.362329      6.551682
  C      -8.750337      1.269578      6.978279
  C      -7.969220      0.129390      6.657972
  H      -4.000409      5.867324      6.417007
  H      -4.191444      4.983308      7.936520
  H      -4.734413      2.860359      6.418923
  H      -6.285438      5.337452      5.418225
  H      -6.187038      0.470573      3.240644
  H     -10.539872      1.824064      2.598936
  H     -11.938084      3.706800      3.477215
  H     -10.935653      5.396315      5.015726
  H      -8.547711      5.243076      5.657185
  H       0.940389      1.716454      3.550630
  H      -0.800331      1.941566      3.258898
  H       0.441116     -0.425125      4.804077
  H      -1.318043     -1.742409      4.064806
  H      -3.342840      2.019734      0.764273
  H      -6.393533     -1.393384      0.740461
  H      -6.687845     -3.511959      2.051373
  H      -4.998060     -4.145615      3.771336
  H      -3.026182     -2.726433      4.172814
  H      -3.229708     -0.652517      7.942012
  H      -3.775921      0.080307      6.430994
  H      -4.308910      1.702691      8.953232
  H      -6.614095      1.520338      8.550769
  H      -6.016742     -2.973490      5.682787
  H     -10.317670     -1.588779      4.823024
  H     -11.669261      0.431182      5.428910
  H     -10.647932      2.251104      6.791548
  H      -8.312886      2.085723      7.555141
  N      -3.035377      2.330612      4.750308
  H      -3.818083      1.947631      4.208430
91
Coordinates from ORCA-job orca E -6200.095993204174
  N      -2.570616      4.345605      6.803391
  Mo     -1.941700      2.573291      6.100920
  N      -2.334911      1.197792      7.462736
  C      -1.525243      1.074875      8.673771
  C      -0.908813      2.418209      9.026418
  N      -0.363766      3.035964      7.796458
  C      -0.337649      4.511621      7.835129
  C      -1.754635      5.054873      7.783844
  C       0.934648      2.457621      7.399469
  C       1.075858      2.575811      5.896025
  N      -0.184281      2.210241      5.267727
  H      -1.707241      6.138058      7.553031
  H      -2.229788      4.987496      8.786447
  H       0.219042      4.853159      6.950955
  H       0.189783      4.887905      8.733489
  H       1.895275      1.925262      5.544883
  H       1.367035      3.609494      5.613771
  H       0.921666      1.395691      7.682264
  H       1.775011      2.940696      7.931918
  H      -2.140278      0.725972      9.523142
  H      -0.733561      0.309664      8.531408
  H      -1.696524      3.078191      9.414835
  H      -0.130273      2.320979      9.806579
  C      -3.944706      4.840530      6.864640
  C      -4.952022      3.927321      6.272893
  C      -6.021612      4.287796      5.537491
  C      -6.804922      3.289151      4.805039
  N      -6.152896      2.195291      4.381514
  C      -6.823517      1.319487      3.597209
  N      -8.072240      1.409567      3.163607
  C      -8.778934      2.487945      3.616026
  C     -10.141751      2.623156      3.249876
  C     -10.895800      3.673990      3.738523
  C     -10.318620      4.631137      4.607344
  C      -8.985321      4.535742      4.964003
  C      -8.186020      3.473523      4.472417
  C      -0.065982      1.594513      3.933028
  C      -0.222376      0.109421      4.075537
  C      -1.237799     -0.685337      3.645772
  C      -2.362811     -0.355639      2.787087
  N      -2.334708      0.770704      2.046218
  C      -3.403835      1.034095      1.265458
  N      -4.468450      0.275926      1.037245
  C      -4.517548     -0.896738      1.745131
  C      -5.628866     -1.756072      1.563253
  C      -5.747914     -2.917840      2.304874
  C      -4.759762     -3.254502      3.255321
  C      -3.664090     -2.430943      3.451425
  C      -3.496659     -1.245912      2.691722
  C      -3.489567      0.287475      7.438135
  C      -4.623761      0.944305      8.184764
  C      -5.952800      0.835783      7.979050
  C      -6.620800     -0.087442      7.068670
  N      -5.964569     -1.190881      6.692405
  C      -6.637101     -2.086325      5.928368
  N      -7.891776     -2.021924      5.512945
  C      -8.583137     -0.894645      5.865630
  C      -9.925929     -0.750228      5.435472
  C     -10.647897      0.374247      5.781339
  C     -10.055551      1.396279      6.559699
  C      -8.744848      1.286010      6.981483
  C      -7.979418      0.136868      6.655778
  H      -4.015195      5.855751      6.427406
  H      -4.202038      4.966008      7.943847
  H      -4.770411      2.852448      6.436651
  H      -6.278641      5.342262      5.398487
  H      -6.236550      0.460816      3.254030
  H     -10.569438      1.864511      2.591327
  H     -11.948013      3.766217      3.458944
  H     -10.930146      5.450302      4.992413
  H      -8.544689      5.272666      5.639198
  H       0.928493      1.825872      3.506529
  H      -0.824327      1.988301      3.247452
  H       0.531181     -0.365475      4.716232
  H      -1.210321     -1.719245      3.998136
  H      -3.385462      2.000254      0.750589
  H      -6.388672     -1.454303      0.839495
  H      -6.615167     -3.567866      2.171070
  H      -4.871326     -4.162686      3.851224
  H      -2.917555     -2.705922      4.197582
  H      -3.231218     -0.682595      7.903618
  H      -3.782793      0.066300      6.402704
  H      -4.298845      1.664241      8.944409
  H      -6.604589      1.495079      8.556643
  H      -6.067671     -2.983216      5.657537
  H     -10.355488     -1.546880      4.825291
  H     -11.679925      0.487590      5.442288
  H     -10.630379      2.291881      6.803264
  H      -8.294736      2.096147      7.556867
  N      -3.060134      2.303285      4.763171
  H      -3.854543      1.915906      4.240161
91
Coordinates from ORCA-job orca E -6200.097206454541
  N      -2.605535      4.323690      6.822476
  Mo     -1.953058      2.574038      6.085182
  N      -2.348544      1.159320      7.403219
  C      -1.542006      1.003428      8.612273
  C      -0.941294      2.344935      9.010988
  N      -0.398232      3.006314      7.805332
  C      -0.386466      4.481350      7.884192
  C      -1.807177      5.014940      7.830882
  C       0.909349      2.453397      7.400173
  C       1.065633      2.617502      5.898456
  N      -0.185921      2.261313      5.248904
  H      -1.766568      6.103200      7.627670
  H      -2.292872      4.917628      8.824906
  H       0.177098      4.847704      7.014820
  H       0.129496      4.837049      8.796240
  H       1.889228      1.976330      5.541327
  H       1.356226      3.657043      5.643625
  H       0.903409      1.383197      7.648576
  H       1.737867      2.928050      7.957483
  H      -2.160029      0.628300      9.447095
  H      -0.748770      0.245453      8.451768
  H      -1.737881      2.984780      9.413012
  H      -0.165448      2.233492      9.790421
  C      -3.988765      4.807795      6.862746
  C      -4.972229      3.894997      6.219173
  C      -6.013951      4.251366      5.444187
  C      -6.769313      3.249473      4.689370
  N      -6.111973      2.135668      4.325102
  C      -6.762944      1.245357      3.543299
  N      -7.990483      1.335391      3.058856
  C      -8.699893      2.437797      3.443844
  C     -10.038968      2.583738      3.006631
  C     -10.794290      3.664881      3.418277
  C     -10.242469      4.640778      4.279506
  C      -8.931773      4.533807      4.705807
  C      -8.130277      3.442848      4.290110
  C      -0.048972      1.681815      3.898609
  C      -0.151389      0.191696      4.019278
  C      -1.144270     -0.625211      3.585066
  C      -2.286459     -0.312198      2.745832
  N      -2.295324      0.822873      2.019668
  C      -3.373773      1.059186      1.245670
  N      -4.417128      0.273848      1.021915
  C      -4.432687     -0.901346      1.726705
  C      -5.521983     -1.787669      1.550233
  C      -5.601626     -2.956406      2.284136
  C      -4.597704     -3.271516      3.223763
  C      -3.525000     -2.419599      3.417512
  C      -3.396559     -1.229910      2.659665
  C      -3.507448      0.253375      7.360369
  C      -4.605988      0.838983      8.212318
  C      -5.946388      0.740074      8.091696
  C      -6.693917     -0.083564      7.148509
  N      -6.075352     -1.124205      6.578793
  C      -6.818067     -1.920549      5.773475
  N      -8.101961     -1.814468      5.480692
  C      -8.757300     -0.750297      6.035777
  C     -10.135088     -0.573988      5.760795
  C     -10.823494      0.482592      6.319335
  C     -10.161492      1.404427      7.161150
  C      -8.816504      1.261297      7.436435
  C      -8.084224      0.175477      6.894256
  H      -4.056827      5.828591      6.439791
  H      -4.273052      4.911206      7.935675
  H      -4.797516      2.829046      6.376584
  H      -6.265032      5.304686      5.290057
  H      -6.181470      0.363986      3.258286
  H     -10.448416      1.810630      2.355038
  H     -11.828506      3.765611      3.084092
  H     -10.855638      5.482777      4.605087
  H      -8.510603      5.285246      5.375675
  H       0.933591      1.961945      3.476027
  H      -0.826418      2.065796      3.229862
  H       0.620816     -0.268795      4.646484
  H      -1.082360     -1.663827      3.915251
  H      -3.378398      2.021873      0.725117
  H      -6.295697     -1.502955      0.835713
  H      -6.451183     -3.628251      2.153134
  H      -4.678126     -4.186102      3.813806
  H      -2.773779     -2.670058      4.166732
  H      -3.226766     -0.744171      7.747470
  H      -3.838068      0.097777      6.325105
  H      -4.238248      1.492310      9.010408
  H      -6.548512      1.334342      8.780901
  H      -6.281543     -2.766073      5.335581
  H     -10.618955     -1.291357      5.096977
  H     -11.883250      0.621615      6.100261
  H     -10.712182      2.251143      7.572605
  H      -8.315376      1.997939      8.064232
  N      -3.070064      2.309265      4.748416
  H      -3.875373      1.936691      4.229612
91
Coordinates from ORCA-job orca E -6200.099750765883
  N      -2.625419      4.326907      6.863040
  Mo     -1.978546      2.591121      6.087248
  N      -2.349794      1.147354      7.377014
  C      -1.527380      0.971683      8.572909
  C      -0.923273      2.309260      8.989397
  N      -0.403432      2.996421      7.789364
  C      -0.393647      4.470030      7.896735
  C      -1.815433      5.002155      7.873410
  C       0.899528      2.459555      7.346896
  C       1.034466      2.662381      5.843457
  N      -0.225552      2.317836      5.204240
  H      -1.780183      6.093266      7.688641
  H      -2.287037      4.884861      8.871247
  H       0.157296      4.850488      7.025700
  H       0.136210      4.808002      8.806549
  H       1.850158      2.024178      5.464498
  H       1.323787      3.704488      5.603545
  H       0.900953      1.383207      7.565418
  H       1.732474      2.923649      7.906039
  H      -2.133690      0.581789      9.408660
  H      -0.738603      0.216792      8.387819
  H      -1.714996      2.939487      9.414422
  H      -0.134236      2.186189      9.752509
  C      -4.012385      4.812790      6.917221
  C      -5.000452      3.910171      6.256243
  C      -6.036742      4.277375      5.478362
  C      -6.841362      3.301082      4.744197
  N      -6.249831      2.145985      4.389938
  C      -6.968093      1.278141      3.644137
  N      -8.197897      1.425301      3.184312
  C      -8.837095      2.575990      3.552818
  C     -10.171965      2.788690      3.134306
  C     -10.854640      3.922115      3.528694
  C     -10.232404      4.883158      4.354987
  C      -8.925340      4.707469      4.766214
  C      -8.196416      3.562501      4.365406
  C      -0.102555      1.761600      3.840587
  C      -0.114830      0.269284      3.961135
  C      -1.075497     -0.600659      3.563446
  C      -2.266793     -0.351749      2.775553
  N      -2.370794      0.778765      2.050356
  C      -3.486807      0.942281      1.314110
  N      -4.488539      0.095977      1.137231
  C      -4.412770     -1.069180      1.854370
  C      -5.456378     -2.015680      1.729546
  C      -5.439490     -3.179452      2.473932
  C      -4.384814     -3.427340      3.375746
  C      -3.355797     -2.514915      3.520329
  C      -3.325404     -1.330712      2.745255
  C      -3.499858      0.230429      7.327337
  C      -4.613230      0.773097      8.183522
  C      -5.950295      0.658727      8.048310
  C      -6.681491     -0.156643      7.084720
  N      -6.060429     -1.206439      6.534806
  C      -6.788250     -1.987929      5.702929
  N      -8.053959     -1.855751      5.358137
  C      -8.707034     -0.777006      5.883007
  C     -10.062494     -0.563807      5.537480
  C     -10.744823      0.519941      6.046603
  C     -10.098316      1.432537      6.908843
  C      -8.776529      1.249394      7.259062
  C      -8.052155      0.135055      6.768426
  H      -4.079976      5.837242      6.504600
  H      -4.290796      4.902826      7.990827
  H      -4.841423      2.847897      6.410272
  H      -6.264972      5.335336      5.323755
  H      -6.448451      0.357544      3.369417
  H     -10.636832      2.026070      2.509289
  H     -11.885806      4.075567      3.208230
  H     -10.789109      5.766682      4.668893
  H      -8.450725      5.446581      5.412102
  H       0.847739      2.102721      3.391938
  H      -0.923736      2.112207      3.207807
  H       0.704920     -0.147739      4.556226
  H      -0.941272     -1.634954      3.882948
  H      -3.563019      1.893562      0.779398
  H      -6.272610     -1.782787      1.045257
  H      -6.253258     -3.899141      2.380989
  H      -4.388663     -4.339148      3.975001
  H      -2.570709     -2.708407      4.250515
  H      -3.201867     -0.770784      7.692837
  H      -3.824546      0.086394      6.290019
  H      -4.264656      1.424719      8.990736
  H      -6.563186      1.245005      8.733151
  H      -6.256525     -2.840954      5.280322
  H     -10.531855     -1.271693      4.854557
  H     -11.786398      0.687915      5.771477
  H     -10.643120      2.299808      7.281986
  H      -8.285818      1.980572      7.899903
  N      -3.131533      2.321389      4.786654
  H      -3.967365      1.965831      4.302090
91
Coordinates from ORCA-job orca E -6200.100657331584
  N      -2.631855      4.301644      6.867356
  Mo     -1.988639      2.558951      6.106012
  N      -2.334554      1.125841      7.408093
  C      -1.499085      0.965109      8.598069
  C      -0.892136      2.307543      8.992676
  N      -0.394690      2.986264      7.778360
  C      -0.390057      4.461022      7.875233
  C      -1.814659      4.987238      7.864889
  C       0.902601      2.450612      7.316313
  C       1.018553      2.654315      5.811783
  N      -0.250431      2.317712      5.183674
  H      -1.786294      6.076853      7.670866
  H      -2.275652      4.874243      8.868274
  H       0.149086      4.836134      6.994536
  H       0.150197      4.806958      8.776062
  H       1.825592      2.009110      5.425321
  H       1.312151      3.693818      5.567528
  H       0.907912      1.373687      7.531564
  H       1.741854      2.915036      7.865821
  H      -2.096040      0.584651      9.444980
  H      -0.712400      0.208650      8.411825
  H      -1.679932      2.939150      9.423390
  H      -0.090215      2.193892      9.743960
  C      -4.017159      4.794694      6.918870
  C      -5.006748      3.887896      6.269262
  C      -6.027680      4.250107      5.469889
  C      -6.850730      3.276700      4.757625
  N      -6.279900      2.107413      4.410857
  C      -7.025616      1.240396      3.690277
  N      -8.261464      1.400359      3.250643
  C      -8.876630      2.569504      3.606076
  C     -10.214140      2.795796      3.204016
  C     -10.871216      3.949449      3.584499
  C     -10.220133      4.915210      4.382424
  C      -8.911018      4.723313      4.781133
  C      -8.206985      3.557738      4.392475
  C      -0.135862      1.776449      3.810073
  C      -0.112943      0.283101      3.908682
  C      -1.084506     -0.587492      3.538278
  C      -2.313363     -0.315729      2.817889
  N      -2.437163      0.832589      2.123373
  C      -3.583317      1.028876      1.444460
  N      -4.610623      0.205926      1.310763
  C      -4.522281     -0.972110      2.006543
  C      -5.589686     -1.895879      1.917121
  C      -5.551339     -3.081080      2.626371
  C      -4.453700     -3.371316      3.461992
  C      -3.400128     -2.481315      3.572972
  C      -3.390344     -1.277449      2.826797
  C      -3.482858      0.209604      7.377517
  C      -4.603977      0.766461      8.208343
  C      -5.935989      0.645757      8.042567
  C      -6.630307     -0.200577      7.078784
  N      -5.991180     -1.278806      6.609310
  C      -6.680261     -2.090221      5.772900
  N      -7.925901     -1.964480      5.358060
  C      -8.592742     -0.854555      5.794201
  C      -9.917142     -0.632999      5.347020
  C     -10.600313      0.499055      5.736787
  C      -9.986033      1.451310      6.580193
  C      -8.698201      1.256474      7.036486
  C      -7.974186      0.095805      6.666657
  H      -4.079362      5.811900      6.488065
  H      -4.291788      4.900582      7.990875
  H      -4.865724      2.822544      6.459836
  H      -6.235539      5.308340      5.288483
  H      -6.533005      0.299201      3.430928
  H     -10.701351      2.029078      2.600689
  H     -11.904290      4.115107      3.274995
  H     -10.756845      5.814793      4.686829
  H      -8.416369      5.465010      5.408792
  H       0.793396      2.154084      3.346855
  H      -0.982709      2.113766      3.205996
  H       0.736262     -0.131626      4.463106
  H      -0.934431     -1.628621      3.828627
  H      -3.661222      1.986806      0.918171
  H      -6.437992     -1.632310      1.284281
  H      -6.381366     -3.785609      2.557620
  H      -4.440112     -4.300152      4.034941
  H      -2.579985     -2.709887      4.252940
  H      -3.184148     -0.787663      7.755828
  H      -3.804858      0.050666      6.342260
  H      -4.272421      1.441193      9.004758
  H      -6.569239      1.251704      8.691823
  H      -6.133285     -2.962313      5.408289
  H     -10.357241     -1.369098      4.674088
  H     -11.615483      0.674840      5.378523
  H     -10.529607      2.354979      6.858525
  H      -8.230023      2.017660      7.659864
  N      -3.179980      2.239701      4.855825
  H      -4.044689      1.882873      4.420987
91
Coordinates from ORCA-job orca E -6200.096498994249
  N      -2.628822      4.291389      6.897434
  Mo     -1.994959      2.556493      6.123968
  N      -2.344163      1.107397      7.418272
  C      -1.508691      0.942024      8.596306
  C      -0.898809      2.278756      8.996802
  N      -0.405842      2.964075      7.791147
  C      -0.396415      4.433514      7.900257
  C      -1.815059      4.964615      7.896933
  C       0.882017      2.427976      7.321614
  C       0.994421      2.657737      5.822869
  N      -0.270871      2.343039      5.170685
  H      -1.782420      6.056091      7.712014
  H      -2.274244      4.845905      8.898564
  H       0.144118      4.813755      7.023973
  H       0.144174      4.769316      8.802173
  H       1.794986      2.013823      5.424819
  H       1.298780      3.704351      5.603397
  H       0.881613      1.345451      7.518488
  H       1.722951      2.880888      7.881242
  H      -2.104200      0.557728      9.440619
  H      -0.725895      0.186204      8.403239
  H      -1.680367      2.908951      9.436250
  H      -0.094138      2.157773      9.741209
  C      -4.006576      4.794627      6.934244
  C      -5.003664      3.907624      6.277741
  C      -6.006556      4.284013      5.452266
  C      -6.812162      3.298300      4.745141
  N      -6.224868      2.102401      4.454778
  C      -6.947682      1.188519      3.762276
  N      -8.171442      1.322649      3.296190
  C      -8.804716      2.519430      3.591408
  C     -10.135907      2.706519      3.164560
  C     -10.810684      3.891690      3.482514
  C     -10.185350      4.923573      4.244328
  C      -8.883752      4.761215      4.671272
  C      -8.161788      3.566535      4.343886
  C      -0.161904      1.835645      3.776633
  C      -0.118171      0.321943      3.843673
  C      -1.084299     -0.554872      3.465687
  C      -2.321990     -0.284948      2.754166
  N      -2.440637      0.857590      2.050787
  C      -3.576682      1.045768      1.370612
  N      -4.598820      0.222930      1.235663
  C      -4.516410     -0.949934      1.935890
  C      -5.581489     -1.875387      1.842451
  C      -5.549518     -3.054364      2.555055
  C      -4.460900     -3.336127      3.398213
  C      -3.408599     -2.445722      3.511892
  C      -3.394372     -1.248275      2.762997
  C      -3.499449      0.207620      7.399981
  C      -4.606752      0.778477      8.244341
  C      -5.945263      0.658989      8.096916
  C      -6.651295     -0.198737      7.148372
  N      -6.014277     -1.311930      6.690201
  C      -6.701308     -2.142310      5.871380
  N      -7.945491     -2.007933      5.460795
  C      -8.615534     -0.870078      5.888418
  C      -9.944031     -0.639594      5.448114
  C     -10.634545      0.518210      5.833610
  C     -10.024816      1.480682      6.670337
  C      -8.732248      1.279575      7.118185
  C      -7.999740      0.099036      6.748682
  H      -4.051256      5.814637      6.505254
  H      -4.290626      4.900836      8.002055
  H      -4.884383      2.838192      6.479512
  H      -6.206789      5.348953      5.244800
  H      -6.442327      0.229492      3.552874
  H     -10.605333      1.883113      2.595840
  H     -11.838537      4.029894      3.152381
  H     -10.736237      5.847372      4.499790
  H      -8.408921      5.550829      5.272544
  H       0.763936      2.235811      3.302098
  H      -1.021389      2.186811      3.186358
  H       0.740556     -0.106545      4.383399
  H      -0.919673     -1.607502      3.741420
  H      -3.646152      1.996258      0.839499
  H      -6.425110     -1.616526      1.205634
  H      -6.381238     -3.758018      2.486539
  H      -4.459115     -4.256728      3.980203
  H      -2.596425     -2.668773      4.199245
  H      -3.204400     -0.792721      7.779569
  H      -3.833640      0.051353      6.367700
  H      -4.259306      1.455861      9.031895
  H      -6.569717      1.267809      8.750402
  H      -6.149677     -3.039927      5.519448
  H     -10.382362     -1.386004      4.782652
  H     -11.651980      0.711038      5.473840
  H     -10.575191      2.404200      6.945804
  H      -8.268231      2.054963      7.734594
  N      -3.227568      2.243711      4.912593
  H      -4.119257      1.892965      4.497695
91
Coordinates from ORCA-job orca E -6200.097577120846
  N      -2.604696      4.285600      6.931190
  Mo     -1.997091      2.561390      6.140063
  N      -2.360371      1.113830      7.433548
  C      -1.519922      0.934407      8.611715
  C      -0.891648      2.257439      9.013569
  N      -0.391814      2.947468      7.804917
  C      -0.366153      4.418576      7.925781
  C      -1.782028      4.956792      7.928508
  C       0.888680      2.400297      7.320384
  C       0.992955      2.644434      5.823839
  N      -0.287669      2.355898      5.161015
  H      -1.748059      6.049221      7.746249
  H      -2.238848      4.835543      8.931562
  H       0.172600      4.804500      7.051355
  H       0.179633      4.745033      8.827730
  H       1.782840      1.993289      5.414444
  H       1.314721      3.695023      5.620327
  H       0.878210      1.312765      7.504648
  H       1.738479      2.839424      7.878745
  H      -2.119352      0.552889      9.455927
  H      -0.744898      0.170095      8.414074
  H      -1.665107      2.892073      9.459735
  H      -0.087823      2.122019      9.756377
  C      -3.983651      4.811513      6.966216
  C      -4.988648      3.945232      6.299833
  C      -5.975929      4.342403      5.461312
  C      -6.751264      3.350594      4.752393
  N      -6.124930      2.197902      4.495524
  C      -6.808339      1.256580      3.810960
  N      -8.033220      1.334311      3.325603
  C      -8.702367      2.483795      3.590598
  C     -10.032599      2.593467      3.152992
  C     -10.745688      3.738891      3.433646
  C     -10.159069      4.800956      4.174061
  C      -8.858947      4.706233      4.617031
  C      -8.098966      3.557719      4.324997
  C      -0.184263      1.853453      3.763177
  C      -0.162375      0.344861      3.814491
  C      -1.130647     -0.534081      3.426063
  C      -2.360822     -0.274613      2.697898
  N      -2.455836      0.856238      1.972689
  C      -3.585727      1.044273      1.273910
  N      -4.628071      0.223004      1.142804
  C      -4.562256     -0.943209      1.862585
  C      -5.643276     -1.869880      1.777451
  C      -5.626190     -3.045185      2.510388
  C      -4.539364     -3.320498      3.368979
  C      -3.473338     -2.427721      3.476397
  C      -3.442216     -1.234817      2.706497
  C      -3.533908      0.230070      7.415494
  C      -4.630190      0.825215      8.272476
  C      -5.973259      0.716543      8.128521
  C      -6.668118     -0.126615      7.175291
  N      -6.012629     -1.205524      6.732744
  C      -6.677810     -2.037144      5.916155
  N      -7.927074     -1.938743      5.501750
  C      -8.616499     -0.843289      5.922871
  C      -9.945740     -0.654704      5.484896
  C     -10.653395      0.459488      5.861614
  C     -10.059450      1.413018      6.691714
  C      -8.765603      1.251754      7.139242
  C      -8.016154      0.122898      6.775444
  H      -4.007078      5.834407      6.542204
  H      -4.273746      4.917988      8.033839
  H      -4.896660      2.875410      6.507817
  H      -6.175677      5.403196      5.246850
  H      -6.271023      0.333892      3.627103
  H     -10.472018      1.740085      2.610189
  H     -11.772857      3.821872      3.091156
  H     -10.738038      5.692285      4.400874
  H      -8.416581      5.516095      5.202962
  H       0.741143      2.246391      3.306297
  H      -1.027241      2.203083      3.165049
  H       0.684339     -0.082961      4.358190
  H      -0.983505     -1.578820      3.708140
  H      -3.636584      1.992406      0.731435
  H      -6.487444     -1.615238      1.131524
  H      -6.472029     -3.748272      2.450610
  H      -4.558318     -4.234263      3.973012
  H      -2.664411     -2.643134      4.176345
  H      -3.251382     -0.779627      7.794697
  H      -3.880263      0.079547      6.377365
  H      -4.271066      1.490077      9.064191
  H      -6.603611      1.309355      8.792691
  H      -6.104409     -2.902959      5.577099
  H     -10.370619     -1.396012      4.824382
  H     -11.669316      0.635502      5.489580
  H     -10.621701      2.303896      6.957623
  H      -8.313455      2.023124      7.747732
  N      -3.284597      2.285636      4.964280
  H      -4.202538      1.956595      4.565919
91
Coordinates from ORCA-job orca E -6200.097657190476
  N      -2.627717      4.267974      6.891624
  Mo     -1.994642      2.533455      6.121075
  N      -2.345828      1.101187      7.419369
  C      -1.507322      0.934817      8.613333
  C      -0.890674      2.270338      9.007093
  N      -0.394497      2.950731      7.787000
  C      -0.383470      4.427544      7.895212
  C      -1.810468      4.953599      7.889956
  C       0.895919      2.406130      7.304352
  C       1.006981      2.627867      5.803723
  N      -0.271847      2.325932      5.164483
  H      -1.784917      6.042276      7.698789
  H      -2.273392      4.836520      8.893453
  H       0.153732      4.811495      7.017066
  H       0.159303      4.767456      8.799499
  H       1.802602      1.973691      5.404857
  H       1.317007      3.664329      5.577189
  H       0.892067      1.327038      7.502567
  H       1.743004      2.853949      7.851542
  H      -2.108944      0.559142      9.460510
  H      -0.722538      0.171435      8.427686
  H      -1.674432      2.905489      9.445153
  H      -0.085465      2.148806      9.757110
  C      -4.013667      4.792726      6.924727
  C      -5.013749      3.909108      6.267654
  C      -6.005755      4.292375      5.437353
  C      -6.821382      3.307239      4.730140
  N      -6.240855      2.131164      4.424606
  C      -6.977835      1.244307      3.730754
  N      -8.215402      1.403841      3.271169
  C      -8.839228      2.577526      3.582592
  C     -10.183423      2.800880      3.167832
  C     -10.850321      3.954334      3.500220
  C     -10.206978      4.916827      4.266908
  C      -8.893267      4.732794      4.682034
  C      -8.176405      3.572737      4.339108
  C      -0.159471      1.807765      3.796728
  C      -0.123876      0.325025      3.859286
  C      -1.085362     -0.554644      3.479190
  C      -2.325724     -0.292158      2.764193
  N      -2.459800      0.844601      2.049855
  C      -3.618463      1.041621      1.373152
  N      -4.644042      0.220145      1.256379
  C      -4.535558     -0.948273      1.964000
  C      -5.590906     -1.869951      1.890229
  C      -5.531393     -3.047652      2.610218
  C      -4.425022     -3.330314      3.444340
  C      -3.383889     -2.442967      3.541609
  C      -3.392229     -1.247632      2.783688
  C      -3.515257      0.211128      7.402898
  C      -4.611923      0.808882      8.239395
  C      -5.944754      0.694531      8.083309
  C      -6.635914     -0.168650      7.131211
  N      -5.990274     -1.246867      6.684293
  C      -6.671875     -2.086003      5.857722
  N      -7.922416     -1.991609      5.442137
  C      -8.595603     -0.888749      5.864946
  C      -9.918939     -0.702358      5.421018
  C     -10.604699      0.422485      5.792334
  C      -9.994437      1.407523      6.620452
  C      -8.706419      1.246648      7.076767
  C      -7.979507      0.092763      6.721131
  H      -4.043768      5.812608      6.490504
  H      -4.298780      4.907712      7.997897
  H      -4.912877      2.841720      6.490125
  H      -6.196164      5.344298      5.240452
  H      -6.475784      0.296350      3.507176
  H     -10.665519      2.029379      2.599859
  H     -11.886976      4.119136      3.176379
  H     -10.748951      5.814858      4.535541
  H      -8.408956      5.481361      5.285011
  H       0.752925      2.209493      3.344414
  H      -1.008019      2.129971      3.203117
  H       0.730328     -0.083645      4.398970
  H      -0.926154     -1.591586      3.757366
  H      -3.702566      1.997816      0.835996
  H      -6.448633     -1.611485      1.262980
  H      -6.352778     -3.748140      2.556732
  H      -4.407300     -4.246619      4.034780
  H      -2.555562     -2.664370      4.218773
  H      -3.235350     -0.783594      7.787997
  H      -3.855917      0.050424      6.373034
  H      -4.263058      1.489205      9.027471
  H      -6.579236      1.300353      8.736112
  H      -6.113489     -2.948550      5.505843
  H     -10.355761     -1.463838      4.759529
  H     -11.611702      0.581449      5.420800
  H     -10.537862      2.304393      6.881958
  H      -8.237853      2.029348      7.686431
  N      -3.229672      2.248371      4.935982
  H      -4.108882      1.923187      4.532112
91
Coordinates from ORCA-job orca E -6200.097608065263
  N      -2.650642      4.254380      6.895597
  Mo     -1.996072      2.526042      6.120722
  N      -2.333120      1.081287      7.413621
  C      -1.491752      0.922314      8.599452
  C      -0.890806      2.265429      8.995811
  N      -0.409201      2.954574      7.783536
  C      -0.416566      4.428059      7.900539
  C      -1.848175      4.942480      7.897427
  C       0.883262      2.428770      7.293713
  C       0.995249      2.662864      5.793920
  N      -0.266236      2.350195      5.160581
  H      -1.831590      6.031355      7.711095
  H      -2.311321      4.818965      8.898759
  H       0.118980      4.820901      7.025118
  H       0.122354      4.766202      8.807210
  H       1.796084      2.020611      5.391300
  H       1.289975      3.696711      5.571726
  H       0.890449      1.350667      7.483430
  H       1.722346      2.881605      7.844953
  H      -2.082849      0.536314      9.446003
  H      -0.700977      0.170092      8.407393
  H      -1.678851      2.892502      9.437409
  H      -0.081595      2.151404      9.740916
  C      -4.033281      4.764864      6.914247
  C      -5.023609      3.876317      6.246448
  C      -6.009652      4.245574      5.405187
  C      -6.839471      3.266807      4.681641
  N      -6.295642      2.049402      4.357976
  C      -7.059078      1.171615      3.661055
  N      -8.288751      1.342467      3.214357
  C      -8.880690      2.553501      3.539633
  C     -10.220580      2.798281      3.138495
  C     -10.853299      3.996605      3.483306
  C     -10.178985      4.995178      4.243662
  C      -8.869607      4.789557      4.646382
  C      -8.187580      3.571186      4.294862
  C      -0.149791      1.843286      3.788751
  C      -0.068012      0.348220      3.851004
  C      -1.020021     -0.537565      3.480292
  C      -2.273077     -0.275534      2.786651
  N      -2.428203      0.868991      2.085487
  C      -3.604166      1.051649      1.429779
  N      -4.627128      0.219765      1.324600
  C      -4.505508     -0.952662      2.022854
  C      -5.577418     -1.882344      1.969466
  C      -5.510974     -3.061795      2.684985
  C      -4.377440     -3.341183      3.490369
  C      -3.317267     -2.447593      3.564980
  C      -3.341453     -1.246404      2.817609
  C      -3.486148      0.175076      7.395280
  C      -4.591324      0.735724      8.235060
  C      -5.920148      0.606214      8.084618
  C      -6.623589     -0.239282      7.121483
  N      -5.993900     -1.317989      6.632213
  C      -6.700790     -2.098182      5.789660
  N      -7.956187     -1.952411      5.385443
  C      -8.617224     -0.851833      5.849324
  C      -9.953551     -0.600151      5.420907
  C     -10.629514      0.534943      5.840803
  C      -9.997893      1.462945      6.703215
  C      -8.697288      1.238834      7.141468
  C      -7.978823      0.071008      6.736207
  H      -4.069716      5.783776      6.486035
  H      -4.321625      4.870564      7.982808
  H      -4.921539      2.814310      6.471402
  H      -6.191555      5.298116      5.208859
  H      -6.585828      0.204720      3.424758
  H     -10.727288      2.009537      2.571238
  H     -11.885528      4.172202      3.172702
  H     -10.694457      5.933392      4.519961
  H      -8.359392      5.564172      5.247269
  H       0.763037      2.272215      3.310532
  H      -1.034600      2.167524      3.209121
  H       0.813526     -0.060751      4.376090
  H      -0.835833     -1.582992      3.746309
  H      -3.705123      2.006257      0.896534
  H      -6.453508     -1.628086      1.362778
  H      -6.347715     -3.767897      2.650004
  H      -4.349061     -4.260882      4.075088
  H      -2.466558     -2.668189      4.219210
  H      -3.194519     -0.816650      7.769498
  H      -3.818362      0.021281      6.371553
  H      -4.253235      1.404160      9.029896
  H      -6.549975      1.196155      8.750487
  H      -6.158487     -2.955689      5.403445
  H     -10.409069     -1.311146      4.733093
  H     -11.643914      0.738855      5.486340
  H     -10.535578      2.369238      7.003475
  H      -8.212903      1.975186      7.777739
  N      -3.247743      2.215939      4.930704
  H      -4.141210      1.879834      4.524645
91
Coordinates from ORCA-job orca E -6200.095511749593
  N      -2.623894      4.281652      6.929941
  Mo     -2.003231      2.551644      6.145552
  N      -2.346023      1.100862      7.441868
  C      -1.500065      0.932628      8.615321
  C      -0.883686      2.266981      9.010475
  N      -0.402700      2.954657      7.800725
  C      -0.388068      4.425217      7.918239
  C      -1.808638      4.958667      7.924760
  C       0.877435      2.411134      7.309840
  C       0.980512      2.647667      5.812003
  N      -0.293382      2.353038      5.170312
  H      -1.778772      6.050339      7.738791
  H      -2.263159      4.839284      8.928441
  H       0.147543      4.811731      7.040446
  H       0.159350      4.752105      8.819504
  H       1.773173      1.994867      5.406223
  H       1.294739      3.691195      5.594277
  H       0.869814      1.328098      7.500472
  H       1.728570      2.852116      7.861971
  H      -2.089898      0.550664      9.465035
  H      -0.719653      0.174211      8.417155
  H      -1.658670      2.899157      9.459304
  H      -0.071998      2.141498      9.746637
  C      -3.999892      4.797121      6.949612
  C      -4.996832      3.918212      6.279475
  C      -5.981695      4.287639      5.436855
  C      -6.773131      3.288410      4.727692
  N      -6.176316      2.129947      4.444032
  C      -6.884987      1.215510      3.753588
  N      -8.108315      1.305485      3.285487
  C      -8.751477      2.460783      3.571968
  C     -10.082892      2.607970      3.143774
  C     -10.768988      3.753631      3.445714
  C     -10.152363      4.791872      4.193385
  C      -8.851214      4.670714      4.624550
  C      -8.118562      3.513293      4.314239
  C      -0.201709      1.847218      3.783180
  C      -0.162507      0.346355      3.838473
  C      -1.126834     -0.524365      3.450657
  C      -2.344072     -0.259696      2.726462
  N      -2.428292      0.874315      2.015289
  C      -3.530611      1.060704      1.311328
  N      -4.554480      0.242862      1.165208
  C      -4.510718     -0.922920      1.876736
  C      -5.577057     -1.846782      1.773512
  C      -5.573160     -3.024628      2.493002
  C      -4.515890     -3.308128      3.354271
  C      -3.464786     -2.419595      3.478568
  C      -3.422109     -1.220703      2.724262
  C      -3.511398      0.212465      7.432210
  C      -4.607054      0.801525      8.277936
  C      -5.944790      0.691651      8.130516
  C      -6.654210     -0.162677      7.179097
  N      -6.020913     -1.273771      6.718785
  C      -6.714907     -2.101291      5.900122
  N      -7.965687     -1.973573      5.496460
  C      -8.634606     -0.833243      5.929045
  C      -9.968717     -0.605519      5.498780
  C     -10.654244      0.553751      5.889588
  C     -10.034635      1.519948      6.724111
  C      -8.737393      1.322524      7.162336
  C      -8.008501      0.137644      6.786500
  H      -4.028119      5.816433      6.522939
  H      -4.288569      4.902123      8.015549
  H      -4.909056      2.853843      6.499502
  H      -6.176772      5.350865      5.220454
  H      -6.367661      0.287370      3.551386
  H     -10.545026      1.783342      2.589060
  H     -11.796673      3.859524      3.113693
  H     -10.710213      5.686473      4.436333
  H      -8.386360      5.464747      5.216686
  H       0.715699      2.247328      3.312805
  H      -1.065626      2.189957      3.194380
  H       0.694223     -0.076963      4.375611
  H      -0.971085     -1.571772      3.720881
  H      -3.569446      2.004908      0.772036
  H      -6.392661     -1.590105      1.122155
  H      -6.402716     -3.726893      2.416037
  H      -4.532142     -4.228479      3.940994
  H      -2.669941     -2.645976      4.173838
  H      -3.227870     -0.791682      7.809335
  H      -3.855981      0.061817      6.402211
  H      -4.252875      1.475036      9.065331
  H      -6.567814      1.299098      8.789632
  H      -6.162693     -3.001491      5.544367
  H     -10.415301     -1.352718      4.834229
  H     -11.669128      0.740457      5.531113
  H     -10.580631      2.444282      7.002703
  H      -8.262717      2.093153      7.778470
  N      -3.281588      2.243799      4.953842
  H      -4.200484      1.909407      4.541899
91
Coordinates from ORCA-job orca E -6200.097339221385
  N      -2.613053      4.287110      6.937840
  Mo     -2.010384      2.560848      6.147856
  N      -2.360025      1.107880      7.429645
  C      -1.513008      0.919768      8.604904
  C      -0.885509      2.245420      9.014557
  N      -0.397806      2.941493      7.806400
  C      -0.369032      4.412985      7.933061
  C      -1.786012      4.954187      7.940254
  C       0.879969      2.391478      7.313075
  C       0.981415      2.638932      5.816288
  N      -0.308507      2.357686      5.163544
  H      -1.747574      6.048590      7.759929
  H      -2.244157      4.830393      8.945166
  H       0.168496      4.802366      7.058350
  H       0.179988      4.732536      8.836448
  H       1.768595      1.983206      5.405758
  H       1.309356      3.689037      5.609324
  H       0.863240      1.303739      7.495641
  H       1.739706      2.822381      7.868178
  H      -2.108124      0.533657      9.452233
  H      -0.737997      0.157425      8.399137
  H      -1.656874      2.875495      9.470571
  H      -0.075401      2.106631      9.750577
  C      -3.988954      4.823852      6.963272
  C      -4.991188      3.957763      6.291668
  C      -5.968619      4.350449      5.445022
  C      -6.751962      3.353635      4.752433
  N      -6.127341      2.197803      4.509290
  C      -6.815556      1.257199      3.836504
  N      -8.045976      1.347926      3.350829
  C      -8.713008      2.514932      3.597835
  C     -10.048146      2.659388      3.152594
  C     -10.763606      3.814658      3.419447
  C     -10.170061      4.852000      4.151609
  C      -8.863870      4.730092      4.598468
  C      -8.102449      3.571825      4.322283
  C      -0.210960      1.859297      3.757491
  C      -0.167960      0.349078      3.812965
  C      -1.130846     -0.536097      3.428650
  C      -2.370533     -0.278400      2.703209
  N      -2.485206      0.853160      1.983151
  C      -3.622263      1.043270      1.289434
  N      -4.655146      0.219379      1.162808
  C      -4.576574     -0.945741      1.882243
  C      -5.646462     -1.871800      1.804863
  C      -5.613936     -3.044819      2.538880
  C      -4.523937     -3.319996      3.389862
  C      -3.468486     -2.428284      3.489259
  C      -3.449883     -1.236605      2.718567
  C      -3.534713      0.224827      7.411738
  C      -4.624627      0.825954      8.276529
  C      -5.969975      0.719879      8.136704
  C      -6.664820     -0.134700      7.188704
  N      -6.010754     -1.204439      6.751254
  C      -6.673071     -2.051034      5.930487
  N      -7.915834     -1.970683      5.512428
  C      -8.601000     -0.869898      5.922965
  C      -9.917992     -0.701093      5.470846
  C     -10.615857      0.402244      5.829838
  C     -10.025465      1.376450      6.651776
  C      -8.746087      1.239106      7.113664
  C      -8.005632      0.112652      6.772413
  H      -4.000888      5.845249      6.536701
  H      -4.281280      4.932892      8.030183
  H      -4.915011      2.888991      6.515972
  H      -6.157682      5.420305      5.221000
  H      -6.279543      0.312620      3.667442
  H     -10.490740      1.827520      2.611584
  H     -11.796249      3.923265      3.073393
  H     -10.748579      5.752873      4.367995
  H      -8.420474      5.524920      5.175681
  H       0.705892      2.264821      3.290552
  H      -1.060153      2.195021      3.168860
  H       0.690327     -0.067760      4.349926
  H      -0.964785     -1.585022      3.707870
  H      -3.682548      1.991945      0.744718
  H      -6.493392     -1.619156      1.163061
  H      -6.446481     -3.747880      2.482539
  H      -4.523155     -4.233819      3.989924
  H      -2.653004     -2.643048      4.178175
  H      -3.252551     -0.792342      7.781126
  H      -3.889414      0.081172      6.369411
  H      -4.259877      1.495337      9.067199
  H      -6.599368      1.322883      8.798801
  H      -6.100984     -2.923879      5.591865
  H     -10.338781     -1.458411      4.813643
  H     -11.621810      0.544059      5.452641
  H     -10.580488      2.259488      6.903273
  H      -8.294525      2.018943      7.720927
  N      -3.268839      2.291623      4.971171
  H      -4.170037      1.982870      4.565218
91
Coordinates from ORCA-job orca E -6200.097621917382
  N      -2.639117      4.258070      6.911905
  Mo     -2.005236      2.529103      6.132534
  N      -2.343664      1.084134      7.419367
  C      -1.500253      0.913367      8.607566
  C      -0.888927      2.250634      9.008875
  N      -0.404749      2.942860      7.792416
  C      -0.396820      4.418025      7.912270
  C      -1.825320      4.941801      7.913207
  C       0.883506      2.405354      7.296848
  C       0.991876      2.644308      5.798192
  N      -0.284166      2.347724      5.165031
  H      -1.801917      6.030704      7.725320
  H      -2.285811      4.820596      8.915726
  H       0.137914      4.810143      7.035968
  H       0.147564      4.749213      8.818158
  H       1.786047      1.994830      5.392847
  H       1.300232      3.679474      5.579642
  H       0.879866      1.324942      7.483720
  H       1.732150      2.846522      7.845578
  H      -2.095102      0.528347      9.454159
  H      -0.713823      0.156055      8.413687
  H      -1.672367      2.879134      9.456299
  H      -0.078277      2.127215      9.751989
  C      -4.020480      4.791324      6.931099
  C      -5.016880      3.914505      6.260836
  C      -5.991347      4.300056      5.410044
  C      -6.819717      3.322527      4.697004
  N      -6.266172      2.108642      4.400392
  C      -7.020447      1.218063      3.711065
  N      -8.252954      1.389144      3.248929
  C      -8.850430      2.591498      3.549452
  C     -10.186238      2.814959      3.134757
  C     -10.826028      3.991398      3.458621
  C     -10.159432      4.985110      4.208858
  C      -8.853132      4.801684      4.623488
  C      -8.165269      3.609918      4.294980
  C      -0.174141      1.843368      3.791108
  C      -0.117827      0.368011      3.841237
  C      -1.067376     -0.519812      3.458610
  C      -2.317320     -0.268311      2.752089
  N      -2.492177      0.866738      2.035425
  C      -3.684716      1.036678      1.371599
  N      -4.704412      0.193104      1.277899
  C      -4.555467     -0.968747      1.991711
  C      -5.611700     -1.909219      1.950276
  C      -5.515111     -3.080315      2.680261
  C      -4.363639     -3.339818      3.489367
  C      -3.320135     -2.433552      3.553910
  C      -3.372134     -1.242508      2.791226
  C      -3.507778      0.186348      7.403778
  C      -4.608460      0.759356      8.247002
  C      -5.936791      0.630922      8.094156
  C      -6.621850     -0.221926      7.134941
  N      -5.968290     -1.291795      6.667202
  C      -6.649261     -2.097853      5.829688
  N      -7.904571     -1.982993      5.415542
  C      -8.585902     -0.892105      5.860885
  C      -9.918164     -0.671753      5.422360
  C     -10.614746      0.467431      5.816406
  C     -10.007330      1.416091      6.665521
  C      -8.709193      1.213896      7.116525
  C      -7.972132      0.055298      6.735559
  H      -4.039064      5.811883      6.500159
  H      -4.314142      4.902939      8.001308
  H      -4.936367      2.849460      6.497593
  H      -6.160689      5.350175      5.206942
  H      -6.542178      0.263404      3.490529
  H     -10.686276      2.022174      2.576224
  H     -11.856639      4.147746      3.140623
  H     -10.678702      5.899564      4.470758
  H      -8.351229      5.570292      5.217746
  H       0.726145      2.256717      3.336870
  H      -1.029911      2.159628      3.207627
  H       0.738320     -0.026253      4.373662
  H      -0.895142     -1.552874      3.728092
  H      -3.800534      1.985743      0.824124
  H      -6.503549     -1.669758      1.340242
  H      -6.338944     -3.796198      2.655021
  H      -4.312079     -4.253260      4.083337
  H      -2.457595     -2.634744      4.209996
  H      -3.222571     -0.806515      7.776330
  H      -3.846026      0.031580      6.377811
  H      -4.265746      1.432875      9.037791
  H      -6.572494      1.220275      8.752748
  H      -6.087542     -2.943010      5.458042
  H     -10.352965     -1.401890      4.743185
  H     -11.631598      0.658351      5.449795
  H     -10.560986      2.329236      6.944302
  H      -8.242983      1.973562      7.742717
  N      -3.242314      2.235769      4.948813
  H      -4.126533      1.917163      4.544064
91
Coordinates from ORCA-job orca E -6200.097855185350
  N      -2.648447      4.256995      6.916985
  Mo     -2.007415      2.519591      6.150964
  N      -2.327631      1.079851      7.455422
  C      -1.476450      0.929492      8.631186
  C      -0.874935      2.273983      9.011738
  N      -0.408733      2.955171      7.791889
  C      -0.413202      4.428669      7.899614
  C      -1.842677      4.948842      7.904155
  C       0.874904      2.420706      7.291755
  C       0.970747      2.647253      5.793598
  N      -0.295353      2.339494      5.170856
  H      -1.824714      6.034045      7.707964
  H      -2.298414      4.835790      8.907299
  H       0.114748      4.814888      7.017544
  H       0.133574      4.769626      8.800082
  H       1.766054      2.001127      5.385084
  H       1.268028      3.680681      5.567465
  H       0.879824      1.344407      7.486548
  H       1.721329      2.870706      7.830688
  H      -2.058884      0.549751      9.485650
  H      -0.685617      0.176675      8.437006
  H      -1.657812      2.903572      9.459947
  H      -0.056835      2.163380      9.747602
  C      -4.026938      4.770504      6.927733
  C      -5.023882      3.880636      6.266079
  C      -6.004458      4.243114      5.413985
  C      -6.824768      3.256474      4.693297
  N      -6.268222      2.049171      4.380859
  C      -7.016719      1.168407      3.682909
  N      -8.243282      1.327747      3.225822
  C      -8.848883      2.525328      3.538670
  C     -10.188137      2.759220      3.124133
  C     -10.837953      3.955385      3.451926
  C     -10.179587      4.950887      4.211937
  C      -8.871096      4.749559      4.630126
  C      -8.172465      3.544425      4.293024
  C      -0.202791      1.836704      3.797243
  C      -0.123699      0.332695      3.856159
  C      -1.081850     -0.543118      3.477935
  C      -2.317924     -0.269515      2.771197
  N      -2.426275      0.872169      2.068900
  C      -3.554928      1.063450      1.380783
  N      -4.571854      0.243617      1.244823
  C      -4.498864     -0.926694      1.946113
  C      -5.557817     -1.848763      1.853777
  C      -5.532424     -3.027884      2.565430
  C      -4.455229     -3.315833      3.407765
  C      -3.409530     -2.430743      3.520250
  C      -3.389512     -1.229583      2.775957
  C      -3.484353      0.184642      7.452782
  C      -4.582455      0.772226      8.281507
  C      -5.910936      0.655294      8.121640
  C      -6.608350     -0.202285      7.165196
  N      -5.979844     -1.303031      6.708848
  C      -6.682724     -2.110858      5.881587
  N      -7.934439     -1.977303      5.466376
  C      -8.593544     -0.857261      5.896423
  C      -9.925307     -0.627970      5.456348
  C     -10.599022      0.516320      5.846481
  C      -9.970468      1.473833      6.689652
  C      -8.673802      1.273132      7.137318
  C      -7.958543      0.097611      6.761899
  H      -4.055187      5.787113      6.488867
  H      -4.314740      4.886421      7.996876
  H      -4.938640      2.820851      6.505545
  H      -6.185402      5.292328      5.207044
  H      -6.531697      0.209245      3.458674
  H     -10.683066      1.971392      2.557864
  H     -11.870297      4.128417      3.129133
  H     -10.708234      5.887057      4.474134
  H      -8.373232      5.522856      5.231642
  H       0.711022      2.261829      3.301474
  H      -1.098564      2.171418      3.223512
  H       0.762906     -0.090134      4.380859
  H      -0.907463     -1.592745      3.739378
  H      -3.617402      2.015803      0.848310
  H      -6.388852     -1.588753      1.218329
  H      -6.358387     -3.728843      2.499367
  H      -4.455786     -4.237015      3.987630
  H      -2.598055     -2.661841      4.197917
  H      -3.200900     -0.806344      7.835374
  H      -3.822725      0.027180      6.431701
  H      -4.240668      1.453073      9.065152
  H      -6.543037      1.263052      8.770921
  H      -6.140555     -2.984025      5.522494
  H     -10.378836     -1.366188      4.784984
  H     -11.610853      0.698672      5.483698
  H     -10.504071      2.377224      6.969038
  H      -8.189171      2.029552      7.761053
  N      -3.280704      2.191473      4.957778
  H      -4.192487      1.856482      4.538889
91
Coordinates from ORCA-job orca E -6200.097067762261
  N      -2.624897      4.279182      6.952415
  Mo     -2.009365      2.567153      6.149079
  N      -2.345918      1.096095      7.416476
  C      -1.497476      0.907705      8.589691
  C      -0.880079      2.237547      9.010482
  N      -0.401052      2.948710      7.809460
  C      -0.383076      4.417585      7.951126
  C      -1.805492      4.947362      7.963372
  C       0.880013      2.415594      7.307116
  C       0.981538      2.678170      5.807456
  N      -0.302694      2.391671      5.156256
  H      -1.774324      6.045157      7.791929
  H      -2.264180      4.811001      8.969430
  H       0.152270      4.819067      7.079791
  H       0.164325      4.731194      8.857784
  H       1.772617      2.030842      5.392856
  H       1.302698      3.728851      5.605489
  H       0.870277      1.326116      7.478475
  H       1.736992      2.848104      7.868195
  H      -2.089551      0.510659      9.434866
  H      -0.716730      0.154059      8.378193
  H      -1.657271      2.856367      9.473600
  H      -0.066376      2.101072      9.743700
  C      -4.001301      4.804828      6.967286
  C      -4.991664      3.939901      6.281588
  C      -5.964542      4.319087      5.427892
  C      -6.753201      3.325100      4.731232
  N      -6.147328      2.177342      4.474428
  C      -6.849688      1.250828      3.799214
  N      -8.074944      1.333586      3.325186
  C      -8.724578      2.490924      3.583737
  C     -10.056470      2.635166      3.148531
  C     -10.754799      3.784520      3.426686
  C     -10.145368      4.823719      4.158067
  C      -8.841654      4.702480      4.595382
  C      -8.098706      3.544189      4.309311
  C      -0.204592      1.897523      3.751801
  C      -0.134671      0.377266      3.808203
  C      -1.084549     -0.520998      3.428641
  C      -2.325977     -0.276003      2.709704
  N      -2.438513      0.858166      1.996536
  C      -3.575424      1.038901      1.308585
  N      -4.616737      0.212444      1.187029
  C      -4.546916     -0.955766      1.904138
  C      -5.636752     -1.885319      1.835408
  C      -5.611585     -3.062856      2.565360
  C      -4.510827     -3.341426      3.401852
  C      -3.438000     -2.445486      3.494883
  C      -3.413966     -1.246200      2.729647
  C      -3.516994      0.208256      7.389787
  C      -4.608510      0.802014      8.251241
  C      -5.955909      0.697389      8.113664
  C      -6.675660     -0.161835      7.167289
  N      -6.049454     -1.271584      6.712406
  C      -6.745816     -2.114754      5.896250
  N      -7.996382     -1.996750      5.496874
  C      -8.656230     -0.856874      5.923404
  C      -9.983954     -0.643902      5.489986
  C     -10.656676      0.500516      5.866577
  C     -10.030634      1.477131      6.686616
  C      -8.740992      1.299968      7.129185
  C      -8.024240      0.125548      6.770292
  H      -4.018717      5.824070      6.548132
  H      -4.298157      4.902865      8.027938
  H      -4.918535      2.882075      6.508307
  H      -6.153391      5.385021      5.204090
  H      -6.326398      0.306490      3.622639
  H     -10.511706      1.807925      2.605706
  H     -11.785533      3.891596      3.089367
  H     -10.711664      5.724846      4.381465
  H      -8.383618      5.499042      5.173756
  H       0.714217      2.324813      3.274220
  H      -1.074186      2.229682      3.169347
  H       0.737895     -0.031565      4.343095
  H      -0.904296     -1.572405      3.706228
  H      -3.634895      1.985362      0.764421
  H      -6.491116     -1.631182      1.203788
  H      -6.460149     -3.768515      2.515007
  H      -4.510756     -4.261910      3.996611
  H      -2.616382     -2.664020      4.175287
  H      -3.236378     -0.812590      7.751747
  H      -3.867033      0.072853      6.348017
  H      -4.242661      1.473413      9.040645
  H      -6.575061      1.310259      8.779324
  H      -6.198175     -3.019330      5.541753
  H     -10.434177     -1.397608      4.833133
  H     -11.667489      0.670181      5.505780
  H     -10.565597      2.390461      6.952095
  H      -8.261768      2.077689      7.735480
  N      -3.275194      2.292378      4.982834
  H      -4.182994      1.983758      4.580219
91
Coordinates from ORCA-job orca E -6200.097191220174
  N      -2.617220      4.279762      6.940004
  Mo     -2.023479      2.545299      6.157180
  N      -2.364716      1.100896      7.447788
  C      -1.513346      0.917095      8.623564
  C      -0.881051      2.242644      9.020030
  N      -0.400657      2.932382      7.802548
  C      -0.368015      4.405448      7.924272
  C      -1.784813      4.949194      7.934809
  C       0.872160      2.375507      7.299639
  C       0.966468      2.616780      5.805380
  N      -0.327675      2.344867      5.169452
  H      -1.746972      6.041001      7.747083
  H      -2.237853      4.832108      8.939618
  H       0.166100      4.791861      7.045708
  H       0.184904      4.725322      8.824687
  H       1.747586      1.953836      5.392546
  H       1.296875      3.660156      5.591497
  H       0.852026      1.289756      7.484278
  H       1.736489      2.800817      7.844898
  H      -2.106002      0.538263      9.474255
  H      -0.740855      0.151135      8.421230
  H      -1.648604      2.877013      9.476874
  H      -0.066318      2.106187      9.751096
  C      -3.989838      4.834566      6.959611
  C      -4.993821      3.964981      6.289793
  C      -5.954966      4.358471      5.426768
  C      -6.745543      3.352852      4.739995
  N      -6.134112      2.174255      4.510250
  C      -6.829833      1.224486      3.842969
  N      -8.055643      1.318403      3.350396
  C      -8.707812      2.499248      3.584842
  C     -10.034594      2.638955      3.135083
  C     -10.733442      3.793156      3.394096
  C     -10.129955      4.850391      4.115183
  C      -8.831386      4.742475      4.563353
  C      -8.087580      3.573640      4.301024
  C      -0.235400      1.843341      3.779723
  C      -0.210129      0.364565      3.819446
  C      -1.166742     -0.514231      3.419558
  C      -2.389149     -0.255994      2.689046
  N      -2.510459      0.869659      1.969695
  C      -3.642854      1.057425      1.272012
  N      -4.662795      0.237528      1.143058
  C      -4.574766     -0.919164      1.863233
  C      -5.632070     -1.837627      1.786567
  C      -5.591006     -3.002529      2.521556
  C      -4.501499     -3.278019      3.370605
  C      -3.458677     -2.392736      3.469783
  C      -3.452227     -1.208413      2.700763
  C      -3.541796      0.218677      7.444908
  C      -4.632426      0.816922      8.306131
  C      -5.972896      0.699783      8.165219
  C      -6.654766     -0.157429      7.217300
  N      -5.985692     -1.212402      6.778905
  C      -6.636738     -2.045058      5.956124
  N      -7.882863     -1.965880      5.534268
  C      -8.583834     -0.879765      5.946052
  C      -9.906737     -0.698730      5.490142
  C     -10.619542      0.411876      5.846799
  C     -10.039974      1.376572      6.670464
  C      -8.754690      1.221175      7.138156
  C      -7.999139      0.089629      6.799034
  H      -3.989122      5.855856      6.523486
  H      -4.286776      4.955048      8.029388
  H      -4.938452      2.890434      6.537935
  H      -6.126651      5.433757      5.189531
  H      -6.304578      0.277728      3.679038
  H     -10.484837      1.795851      2.599383
  H     -11.760046      3.889956      3.049231
  H     -10.695312      5.749785      4.324280
  H      -8.379945      5.551543      5.133287
  H       0.664248      2.240534      3.336576
  H      -1.070115      2.162863      3.191512
  H       0.626783     -0.039072      4.356183
  H      -1.012784     -1.552316      3.688079
  H      -3.710142      2.000404      0.725326
  H      -6.477610     -1.585731      1.145448
  H      -6.413882     -3.699714      2.466511
  H      -4.491776     -4.186564      3.968980
  H      -2.641104     -2.606028      4.156102
  H      -3.258983     -0.789144      7.818560
  H      -3.896832      0.065661      6.410783
  H      -4.272423      1.491700      9.090756
  H      -6.606841      1.296538      8.822270
  H      -6.052562     -2.901165      5.613852
  H     -10.319601     -1.443227      4.829352
  H     -11.630748      0.566554      5.465916
  H     -10.608460      2.275086      6.917775
  H      -8.312366      1.993791      7.746630
  N      -3.285383      2.269592      4.977280
  H      -4.187211      1.969854      4.567766
91
Coordinates from ORCA-job orca E -6200.098238331261
  N      -2.650993      4.246989      6.928643
  Mo     -2.013373      2.514660      6.154450
  N      -2.330022      1.067082      7.444627
  C      -1.477093      0.905107      8.621857
  C      -0.873633      2.247688      9.013058
  N      -0.409436      2.940915      7.794296
  C      -0.411692      4.414993      7.913990
  C      -1.842047      4.934779      7.922656
  C       0.874809      2.410635      7.283930
  C       0.967500      2.653221      5.785922
  N      -0.304149      2.352063      5.163902
  H      -1.822933      6.020992      7.731678
  H      -2.298036      4.815439      8.925558
  H       0.114912      4.807911      7.033815
  H       0.137215      4.749576      8.816287
  H       1.760363      2.009783      5.370425
  H       1.267737      3.686873      5.568419
  H       0.878266      1.332057      7.467476
  H       1.723967      2.854707      7.824250
  H      -2.060199      0.518678      9.473800
  H      -0.686851      0.153220      8.421590
  H      -1.656546      2.872138      9.468530
  H      -0.053577      2.131794      9.746744
  C      -4.029301      4.774871      6.936992
  C      -5.028045      3.894341      6.269221
  C      -5.997392      4.268060      5.406116
  C      -6.834081      3.293916      4.685447
  N      -6.296254      2.060582      4.377880
  C      -7.062433      1.186505      3.684048
  N      -8.291273      1.383565      3.223070
  C      -8.875869      2.604478      3.528405
  C     -10.212348      2.866704      3.111061
  C     -10.839742      4.068685      3.436981
  C     -10.162233      5.041731      4.194367
  C      -8.856005      4.818503      4.613807
  C      -8.179116      3.607488      4.280929
  C      -0.213132      1.859659      3.785579
  C      -0.119634      0.370117      3.835665
  C      -1.070382     -0.517353      3.463840
  C      -2.331482     -0.261059      2.769293
  N      -2.504471      0.883086      2.055769
  C      -3.684088      1.048689      1.388335
  N      -4.693741      0.199538      1.291552
  C      -4.552142     -0.967244      2.006158
  C      -5.599730     -1.913661      1.959911
  C      -5.509073     -3.090907      2.686971
  C      -4.371109     -3.351210      3.498458
  C      -3.335784     -2.440536      3.566920
  C      -3.383440     -1.242536      2.808249
  C      -3.491832      0.173445      7.435214
  C      -4.590795      0.752043      8.268549
  C      -5.912611      0.629653      8.104377
  C      -6.590706     -0.223665      7.143624
  N      -5.943618     -1.304725      6.695195
  C      -6.627915     -2.112072      5.862354
  N      -7.877688     -1.998964      5.436345
  C      -8.551857     -0.894290      5.859156
  C      -9.879629     -0.679287      5.408500
  C     -10.569726      0.464063      5.788443
  C      -9.959912      1.426735      6.631755
  C      -8.664951      1.231275      7.091308
  C      -7.936524      0.064023      6.726506
  H      -4.045612      5.791813      6.498113
  H      -4.322940      4.892872      8.005277
  H      -4.957365      2.834586      6.520557
  H      -6.158887      5.311317      5.196509
  H      -6.597885      0.225064      3.460755
  H     -10.722882      2.090292      2.546971
  H     -11.869689      4.258279      3.115108
  H     -10.671968      5.974632      4.456465
  H      -8.345095      5.572970      5.214820
  H       0.682772      2.291565      3.291425
  H      -1.107861      2.184358      3.222720
  H       0.771015     -0.036091      4.351153
  H      -0.878314     -1.559175      3.724276
  H      -3.796014      2.002653      0.841808
  H      -6.477448     -1.675046      1.347643
  H      -6.325675     -3.812156      2.657246
  H      -4.321072     -4.271601      4.087154
  H      -2.479413     -2.645891      4.222185
  H      -3.212324     -0.818998      7.806675
  H      -3.829467      0.025418      6.412304
  H      -4.254143      1.428866      9.054950
  H      -6.552116      1.225927      8.751304
  H      -6.073609     -2.970424      5.507867
  H     -10.316595     -1.423831      4.735234
  H     -11.582966      0.642576      5.416390
  H     -10.506041      2.335767      6.902330
  H      -8.193937      1.994767      7.715547
  N      -3.276109      2.202328      4.974638
  H      -4.178356      1.883571      4.561887
91
Coordinates from ORCA-job orca E -6200.098193499993
  N      -2.634744      4.267363      6.936387
  Mo     -2.003302      2.548494      6.150497
  N      -2.333597      1.092898      7.433310
  C      -1.486603      0.922340      8.613874
  C      -0.876526      2.258658      9.017763
  N      -0.400891      2.957915      7.807822
  C      -0.394784      4.428738      7.935583
  C      -1.824124      4.951175      7.938675
  C       0.884357      2.424898      7.309437
  C       0.986328      2.670994      5.807389
  N      -0.293522      2.377117      5.165769
  H      -1.802175      6.043197      7.754910
  H      -2.285048      4.822757      8.943378
  H       0.139814      4.826617      7.061310
  H       0.148072      4.754454      8.843652
  H       1.780624      2.022777      5.398600
  H       1.301509      3.713624      5.592515
  H       0.879620      1.341722      7.492287
  H       1.737657      2.864563      7.861278
  H      -2.078810      0.533751      9.463032
  H      -0.699447      0.168314      8.413975
  H      -1.659648      2.880537      9.473983
  H      -0.061353      2.133970      9.755255
  C      -4.012886      4.791074      6.938514
  C      -5.001279      3.917577      6.256458
  C      -5.972200      4.289898      5.395262
  C      -6.784429      3.302126      4.685037
  N      -6.213443      2.118798      4.395094
  C      -6.950109      1.212496      3.715432
  N      -8.180485      1.327181      3.264498
  C      -8.798083      2.510489      3.552927
  C     -10.139646      2.689813      3.146954
  C     -10.805065      3.877492      3.452157
  C     -10.155244      4.916851      4.179155
  C      -8.843475      4.757474      4.591373
  C      -8.132336      3.558811      4.280061
  C      -0.198032      1.865598      3.786830
  C      -0.140898      0.358615      3.840181
  C      -1.082966     -0.532512      3.451351
  C      -2.303131     -0.281402      2.730314
  N      -2.402563      0.849008      2.025998
  C      -3.536174      1.036235      1.338519
  N      -4.578089      0.221990      1.212670
  C      -4.514713     -0.940864      1.918600
  C      -5.602160     -1.856993      1.842968
  C      -5.581736     -3.029934      2.558748
  C      -4.488227     -3.318026      3.389228
  C      -3.419756     -2.435099      3.490186
  C      -3.390751     -1.239921      2.740235
  C      -3.498906      0.201879      7.411495
  C      -4.592571      0.801321      8.249643
  C      -5.931486      0.684930      8.103726
  C      -6.647672     -0.194051      7.162513
  N      -6.029767     -1.320855      6.707670
  C      -6.741998     -2.168053      5.896271
  N      -7.999133     -2.035626      5.500980
  C      -8.647304     -0.890317      5.929160
  C      -9.979661     -0.664790      5.500438
  C     -10.641559      0.484444      5.884511
  C      -9.997684      1.453752      6.708822
  C      -8.701732      1.266748      7.144171
  C      -7.998313      0.090640      6.774475
  H      -4.030258      5.808147      6.511332
  H      -4.312801      4.895579      7.999690
  H      -4.930046      2.863760      6.499137
  H      -6.148390      5.346003      5.177223
  H      -6.454393      0.249179      3.517099
  H     -10.626685      1.867205      2.606198
  H     -11.840542      4.011430      3.136517
  H     -10.694321      5.851734      4.420708
  H      -8.352924      5.557797      5.169399
  H       0.720801      2.284308      3.324386
  H      -1.058652      2.190492      3.195379
  H       0.716203     -0.044554      4.384056
  H      -0.920736     -1.574495      3.723162
  H      -3.591485      1.979318      0.803685
  H      -6.448518     -1.596235      1.217428
  H      -6.427326     -3.726152      2.503108
  H      -4.490327     -4.235248      3.970567
  H      -2.601810     -2.663200      4.163111
  H      -3.222131     -0.804809      7.785538
  H      -3.840975      0.056320      6.379318
  H      -4.237187      1.485286      9.031677
  H      -6.556106      1.304297      8.757987
  H      -6.207400     -3.062727      5.536848
  H     -10.443283     -1.410827      4.841003
  H     -11.654201      0.663265      5.528472
  H     -10.520003      2.358748      6.980445
  H      -8.207116      2.035280      7.753698
  N      -3.251952      2.256143      4.981094
  H      -4.151052      1.942240      4.569998
91
Coordinates from ORCA-job orca E -6200.096929392398
  N      -2.633420      4.270118      6.961231
  Mo     -2.030204      2.544134      6.171999
  N      -2.342084      1.089619      7.458425
  C      -1.481315      0.915147      8.625211
  C      -0.861778      2.250121      9.020573
  N      -0.402010      2.948302      7.803898
  C      -0.385789      4.421799      7.930125
  C      -1.807747      4.949470      7.951514
  C       0.872246      2.410817      7.287927
  C       0.955003      2.656801      5.791887
  N      -0.332796      2.369462      5.163043
  H      -1.784736      6.041635      7.765866
  H      -2.253996      4.826751      8.958881
  H       0.137520      4.815762      7.049893
  H       0.169403      4.745523      8.827717
  H       1.740236      2.005558      5.371888
  H       1.269564      3.702249      5.579425
  H       0.867844      1.324741      7.467253
  H       1.733269      2.846127      7.829939
  H      -2.062936      0.529618      9.478771
  H      -0.702656      0.157977      8.415260
  H      -1.633052      2.874327      9.486217
  H      -0.038786      2.123168      9.742998
  C      -4.008624      4.806677      6.980187
  C      -5.004905      3.931225      6.305839
  C      -5.967296      4.310084      5.442284
  C      -6.745329      3.313124      4.749215
  N      -6.125082      2.172169      4.515587
  C      -6.810219      1.245519      3.837527
  N      -8.030975      1.330288      3.339606
  C      -8.692016      2.480995      3.576251
  C     -10.017203      2.625650      3.115280
  C     -10.727606      3.759021      3.374353
  C     -10.136867      4.790763      4.106934
  C      -8.839223      4.677090      4.565607
  C      -8.085187      3.528225      4.303549
  C      -0.235437      1.867333      3.763818
  C      -0.171535      0.352267      3.814917
  C      -1.123832     -0.540602      3.424381
  C      -2.365309     -0.275142      2.696938
  N      -2.471089      0.861457      1.988694
  C      -3.597219      1.064487      1.291124
  N      -4.630894      0.252534      1.152079
  C      -4.566417     -0.916748      1.863217
  C      -5.647305     -1.827356      1.777029
  C      -5.632826     -3.002971      2.502750
  C      -4.550967     -3.299143      3.350718
  C      -3.484079     -2.422393      3.459499
  C      -3.450184     -1.225325      2.700124
  C      -3.511421      0.199308      7.453375
  C      -4.605175      0.800449      8.311075
  C      -5.953552      0.688390      8.171542
  C      -6.656060     -0.172952      7.225034
  N      -6.008783     -1.255713      6.785049
  C      -6.681295     -2.084032      5.964327
  N      -7.930070     -1.973587      5.544967
  C      -8.610785     -0.859820      5.954410
  C      -9.935939     -0.644673      5.495435
  C     -10.629984      0.499226      5.845423
  C     -10.028355      1.467935      6.663929
  C      -8.740958      1.279830      7.134991
  C      -8.002703      0.107882      6.804071
  H      -4.020031      5.825027      6.545989
  H      -4.301318      4.920590      8.047941
  H      -4.946169      2.869212      6.552761
  H      -6.147260      5.380879      5.204777
  H      -6.276370      0.306430      3.677310
  H     -10.456597      1.805567      2.569153
  H     -11.754400      3.862059      3.019630
  H     -10.711832      5.681878      4.313795
  H      -8.396098      5.471782      5.142709
  H       0.682219      2.292594      3.288077
  H      -1.105263      2.192483      3.179897
  H       0.697959     -0.059505      4.350857
  H      -0.945884     -1.598759      3.695052
  H      -3.650439      2.014293      0.752708
  H      -6.488593     -1.558837      1.137136
  H      -6.475013     -3.692970      2.439134
  H      -4.561028     -4.217100      3.942094
  H      -2.674190     -2.653728      4.146457
  H      -3.225601     -0.811020      7.825559
  H      -3.863337      0.048171      6.418045
  H      -4.240324      1.481494      9.092829
  H      -6.579562      1.301292      8.827441
  H      -6.115155     -2.955801      5.621653
  H     -10.367080     -1.387440      4.837304
  H     -11.640266      0.675938      5.462719
  H     -10.580753      2.391775      6.903558
  H      -8.281372      2.054041      7.739393
  N      -3.317448      2.253778      4.991778
  H      -4.233743      1.947133      4.574737
91
Coordinates from ORCA-job orca E -6200.097797308991
  N      -2.626981      4.268260      6.942873
  Mo     -2.022299      2.533117      6.162883
  N      -2.355828      1.082665      7.449784
  C      -1.503390      0.902743      8.622816
  C      -0.878271      2.232980      9.018105
  N      -0.405452      2.927226      7.801438
  C      -0.382937      4.398400      7.928422
  C      -1.802422      4.939886      7.939053
  C       0.869238      2.381677      7.288938
  C       0.959063      2.632251      5.793215
  N      -0.325622      2.353237      5.167488
  H      -1.764720      6.029751      7.749103
  H      -2.258210      4.822838      8.943588
  H       0.150531      4.787822      7.049555
  H       0.169600      4.717853      8.831017
  H       1.743536      1.977958      5.374129
  H       1.277298      3.671160      5.579677
  H       0.857697      1.297580      7.468437
  H       1.730315      2.811430      7.832079
  H      -2.091745      0.520276      9.474642
  H      -0.725374      0.141588      8.418375
  H      -1.649313      2.863934      9.478518
  H      -0.059199      2.100241      9.748041
  C      -3.995721      4.823330      6.944837
  C      -4.997347      3.958926      6.269798
  C      -5.949559      4.352467      5.396042
  C      -6.770466      3.368351      4.696668
  N      -6.204766      2.150609      4.431213
  C      -6.946849      1.225307      3.765526
  N      -8.176197      1.367272      3.299763
  C      -8.783543      2.580857      3.566236
  C     -10.115361      2.775314      3.147034
  C     -10.764666      3.956146      3.438165
  C     -10.110587      4.982537      4.161840
  C      -8.808400      4.826400      4.581475
  C      -8.112154      3.635161      4.284788
  C      -0.246505      1.860376      3.785550
  C      -0.184811      0.385586      3.836484
  C      -1.142331     -0.497470      3.451635
  C      -2.389612     -0.245977      2.730147
  N      -2.550663      0.899135      1.997977
  C      -3.704389      1.064871      1.307600
  N      -4.704718      0.213549      1.201189
  C      -4.578890     -0.955584      1.934663
  C      -5.620624     -1.903291      1.882521
  C      -5.544002     -3.082753      2.629075
  C      -4.426292     -3.342423      3.463455
  C      -3.397457     -2.429298      3.538327
  C      -3.433786     -1.229182      2.762230
  C      -3.532491      0.203820      7.440809
  C      -4.629226      0.794017      8.282083
  C      -5.957631      0.672636      8.122614
  C      -6.626707     -0.181031      7.168079
  N      -5.959572     -1.237346      6.736268
  C      -6.615021     -2.062071      5.911218
  N      -7.854531     -1.998435      5.484003
  C      -8.552601     -0.914358      5.891117
  C      -9.871134     -0.755376      5.438354
  C     -10.584978      0.354864      5.801742
  C     -10.009690      1.345462      6.625881
  C      -8.725217      1.207679      7.087951
  C      -7.970142      0.068729      6.744234
  H      -3.988661      5.842284      6.506077
  H      -4.300477      4.946227      8.010255
  H      -4.951089      2.888651      6.530380
  H      -6.103428      5.412675      5.168405
  H      -6.462315      0.269471      3.571347
  H     -10.606281      1.954550      2.608600
  H     -11.794009      4.093871      3.116621
  H     -10.636619      5.898487      4.396448
  H      -8.318078      5.617476      5.155310
  H       0.644920      2.269582      3.305381
  H      -1.121172      2.186631      3.216637
  H       0.687070     -0.019523      4.362134
  H      -0.965798     -1.535243      3.720101
  H      -3.802861      2.021696      0.747589
  H      -6.484375     -1.664987      1.251193
  H      -6.356946     -3.803862      2.594423
  H      -4.386289     -4.264981      4.066344
  H      -2.553838     -2.632124      4.210703
  H      -3.261697     -0.798886      7.811062
  H      -3.876265      0.060040      6.410020
  H      -4.287173      1.468564      9.067531
  H      -6.599272      1.263414      8.769657
  H      -6.035320     -2.926195      5.572365
  H     -10.281897     -1.522735      4.777291
  H     -11.593720      0.487164      5.427881
  H     -10.579329      2.240617      6.882447
  H      -8.282586      1.992268      7.700395
  N      -3.279898      2.244812      4.977479
  H      -4.175347      1.948328      4.556727
91
Coordinates from ORCA-job orca E -6200.097625388172
  N      -2.653509      4.243373      6.941800
  Mo     -2.015076      2.518277      6.161938
  N      -2.323926      1.067408      7.450241
  C      -1.467649      0.905064      8.626140
  C      -0.864957      2.247588      9.020184
  N      -0.406111      2.946459      7.803250
  C      -0.410245      4.420013      7.928194
  C      -1.843369      4.934403      7.938143
  C       0.878558      2.419725      7.290880
  C       0.967866      2.668152      5.791419
  N      -0.310440      2.368417      5.163487
  H      -1.828236      6.023269      7.750391
  H      -2.299139      4.809638      8.942865
  H       0.115249      4.818591      7.050177
  H       0.137422      4.752372      8.831710
  H       1.760225      2.027264      5.373073
  H       1.272696      3.706766      5.578657
  H       0.881351      1.339039      7.470544
  H       1.730329      2.862802      7.833522
  H      -2.050246      0.516904      9.479332
  H      -0.678197      0.154627      8.423205
  H      -1.647344      2.866929      9.480895
  H      -0.042353      2.132072      9.749937
  C      -4.032169      4.770989      6.944289
  C      -5.027259      3.892197      6.268536
  C      -5.990979      4.261646      5.396591
  C      -6.823965      3.278878      4.680600
  N      -6.279547      2.050324      4.390509
  C      -7.038975      1.164812      3.702590
  N      -8.269434      1.349805      3.233823
  C      -8.861279      2.570720      3.518099
  C     -10.200500      2.823418      3.090649
  C     -10.838058      4.038005      3.393566
  C     -10.165022      5.028907      4.138272
  C      -8.856043      4.807669      4.569196
  C      -8.170038      3.585775      4.260688
  C      -0.218194      1.867576      3.777741
  C      -0.134528      0.371842      3.820826
  C      -1.075805     -0.517113      3.439490
  C      -2.316663     -0.266928      2.741731
  N      -2.455335      0.855997      2.042716
  C      -3.624332      1.025167      1.373867
  N      -4.659548      0.200564      1.268109
  C      -4.548856     -0.949865      1.970626
  C      -5.619701     -1.874090      1.916948
  C      -5.552032     -3.037072      2.628909
  C      -4.417570     -3.306336      3.432613
  C      -3.363757     -2.414906      3.511153
  C      -3.386259     -1.230141      2.767535
  C      -3.484855      0.171152      7.446664
  C      -4.581168      0.758816      8.286643
  C      -5.908467      0.635868      8.133005
  C      -6.596359     -0.232201      7.185512
  N      -5.956333     -1.342518      6.749516
  C      -6.646937     -2.171980      5.929154
  N      -7.902012     -2.036673      5.504410
  C      -8.569241     -0.901062      5.912616
  C      -9.898783     -0.663588      5.455463
  C     -10.577175      0.488125      5.820983
  C      -9.953843      1.440200      6.655033
  C      -8.659564      1.233874      7.118725
  C      -7.942128      0.061207      6.768155
  H      -4.046710      5.786657      6.509577
  H      -4.329090      4.884007      8.008165
  H      -4.965112      2.838035      6.527527
  H      -6.148432      5.310855      5.172817
  H      -6.568537      0.194675      3.502999
  H     -10.706767      2.035560      2.536317
  H     -11.870187      4.223351      3.063519
  H     -10.681481      5.972236      4.380324
  H      -8.349524      5.571423      5.160597
  H       0.679430      2.293932      3.301253
  H      -1.090098      2.188451      3.204761
  H       0.734732     -0.026692      4.346493
  H      -0.895930     -1.553660      3.699450
  H      -3.709658      1.960025      0.837364
  H      -6.493909     -1.628805      1.310962
  H      -6.385311     -3.741690      2.592517
  H      -4.381327     -4.217399      4.007181
  H      -2.513213     -2.627157      4.162055
  H      -3.200133     -0.827270      7.820099
  H      -3.829713      0.022364      6.420597
  H      -4.235971      1.443869      9.065886
  H      -6.544100      1.246452      8.777273
  H      -6.096854     -3.053438      5.583514
  H     -10.345134     -1.401395      4.788947
  H     -11.590238      0.680917      5.444061
  H     -10.489080      2.350819      6.913187
  H      -8.180390      1.991856      7.735024
  N      -3.279264      2.214239      5.000969
  H      -4.184057      1.901523      4.592595
91
Coordinates from ORCA-job orca E -6200.098991399655
  N      -2.634369      4.269587      6.949502
  Mo     -2.017685      2.543306      6.170709
  N      -2.330815      1.084327      7.455434
  C      -1.477058      0.914289      8.628217
  C      -0.865767      2.253016      9.026072
  N      -0.402271      2.950482      7.811018
  C      -0.390644      4.422802      7.935017
  C      -1.815935      4.949736      7.945300
  C       0.876375      2.413473      7.302883
  C       0.966620      2.660521      5.804885
  N      -0.318092      2.375882      5.175128
  H      -1.792693      6.040757      7.757142
  H      -2.268706      4.826788      8.951241
  H       0.139995      4.817205      7.057277
  H       0.157230      4.747278      8.838571
  H       1.753615      2.007775      5.387538
  H       1.282463      3.704263      5.591987
  H       0.871025      1.328881      7.483865
  H       1.735117      2.848015      7.849049
  H      -2.062651      0.527081      9.480550
  H      -0.692394      0.159552      8.424649
  H      -1.643754      2.875718      9.488142
  H      -0.044357      2.129306      9.754626
  C      -4.007989      4.807006      6.948633
  C      -5.004090      3.927909      6.276084
  C      -5.962851      4.302136      5.404675
  C      -6.758804      3.305146      4.707458
  N      -6.161953      2.145845      4.447180
  C      -6.872109      1.228794      3.771102
  N      -8.096132      1.317770      3.301786
  C      -8.737817      2.476459      3.565619
  C     -10.071836      2.624839      3.137982
  C     -10.766161      3.781865      3.424792
  C     -10.147597      4.830179      4.149454
  C      -8.839999      4.707240      4.576647
  C      -8.103486      3.532791      4.287404
  C      -0.230396      1.883985      3.780321
  C      -0.157006      0.368454      3.825866
  C      -1.101320     -0.526753      3.435836
  C      -2.334435     -0.268256      2.716857
  N      -2.443622      0.877945      2.021052
  C      -3.566870      1.071446      1.327956
  N      -4.590841      0.245829      1.183687
  C      -4.524444     -0.931102      1.886643
  C      -5.600107     -1.855022      1.798581
  C      -5.590744     -3.035613      2.520935
  C      -4.519073     -3.326925      3.366830
  C      -3.451564     -2.440009      3.473939
  C      -3.414263     -1.234346      2.719105
  C      -3.497148      0.194925      7.438876
  C      -4.592928      0.800357      8.273800
  C      -5.938345      0.687808      8.125892
  C      -6.659439     -0.186439      7.178825
  N      -6.044382     -1.294833      6.711968
  C      -6.757279     -2.130215      5.892278
  N      -8.013601     -2.000558      5.501176
  C      -8.657854     -0.871524      5.938703
  C      -9.990496     -0.642457      5.511649
  C     -10.647719      0.522771      5.887465
  C      -9.999905      1.497539      6.702369
  C      -8.705066      1.293630      7.142583
  C      -8.006233      0.104037      6.784079
  H      -4.014326      5.822499      6.506233
  H      -4.308984      4.929577      8.012938
  H      -4.951710      2.871034      6.534345
  H      -6.135092      5.363880      5.168939
  H      -6.353534      0.281757      3.588319
  H     -10.532346      1.797466      2.596158
  H     -11.798331      3.887218      3.097035
  H     -10.709426      5.742227      4.376711
  H      -8.372056      5.513592      5.150401
  H       0.681949      2.320651      3.298419
  H      -1.107407      2.206013      3.205763
  H       0.714123     -0.038166      4.356980
  H      -0.919172     -1.583833      3.697932
  H      -3.628809      2.028950      0.797379
  H      -6.433713     -1.589647      1.161137
  H      -6.430009     -3.735885      2.457246
  H      -4.535191     -4.249395      3.958416
  H      -2.648099     -2.672846      4.157506
  H      -3.220051     -0.808838      7.819057
  H      -3.836413      0.039662      6.408020
  H      -4.233135      1.490094      9.054622
  H      -6.561267      1.310057      8.781940
  H      -6.227095     -2.990032      5.521514
  H     -10.456736     -1.386744      4.857022
  H     -11.661868      0.710070      5.531623
  H     -10.518630      2.427540      6.961995
  H      -8.209360      2.071293      7.744146
  N      -3.270655      2.239168      4.995642
  H      -4.177872      1.931901      4.579237
91
Coordinates from ORCA-job orca E -6200.100016179120
  N      -2.640624      4.255757      6.963642
  Mo     -2.035831      2.529767      6.171996
  N      -2.346193      1.072429      7.454681
  C      -1.484056      0.893922      8.621743
  C      -0.862653      2.227688      9.016955
  N      -0.407370      2.930875      7.798826
  C      -0.393110      4.403154      7.935065
  C      -1.816224      4.930536      7.959478
  C       0.865274      2.396097      7.271169
  C       0.945996      2.652845      5.775598
  N      -0.341451      2.371328      5.154646
  H      -1.790820      6.022549      7.776266
  H      -2.264017      4.804317      8.966616
  H       0.131047      4.801953      7.056666
  H       0.163002      4.721145      8.835175
  H       1.729595      2.002101      5.350709
  H       1.259638      3.693732      5.564983
  H       0.859834      1.310047      7.442631
  H       1.727480      2.826737      7.812617
  H      -2.065052      0.507056      9.475325
  H      -0.705086      0.136698      8.409806
  H      -1.633096      2.851688      9.486723
  H      -0.035884      2.099297      9.736998
  C      -4.013009      4.801221      6.975398
  C      -5.009033      3.936469      6.295055
  C      -5.954595      4.324737      5.414425
  C      -6.755974      3.341978      4.717446
  N      -6.171421      2.156542      4.482582
  C      -6.891695      1.226718      3.819951
  N      -8.112782      1.341289      3.332321
  C      -8.735708      2.534682      3.565693
  C     -10.057966      2.712973      3.115024
  C     -10.725514      3.884177      3.369991
  C     -10.096434      4.916069      4.089468
  C      -8.802369      4.770536      4.540212
  C      -8.090099      3.589965      4.279090
  C      -0.254816      1.880347      3.768927
  C      -0.180224      0.393546      3.814539
  C      -1.130053     -0.500242      3.427214
  C      -2.377958     -0.249819      2.707403
  N      -2.520307      0.888029      1.981157
  C      -3.669183      1.066364      1.293383
  N      -4.689369      0.234353      1.184721
  C      -4.584353     -0.931048      1.913897
  C      -5.646249     -1.859274      1.858627
  C      -5.583291     -3.036035      2.595539
  C      -4.464171     -3.313933      3.421731
  C      -3.421116     -2.418083      3.504223
  C      -3.439627     -1.219593      2.736077
  C      -3.521487      0.189840      7.454361
  C      -4.614713      0.783881      8.307123
  C      -5.951476      0.673293      8.156555
  C      -6.636852     -0.176275      7.201698
  N      -5.978560     -1.267091      6.776257
  C      -6.641464     -2.092066      5.953097
  N      -7.887322     -1.990017      5.523644
  C      -8.577735     -0.869856      5.920291
  C      -9.899961     -0.682417      5.464340
  C     -10.601507      0.432511      5.823015
  C     -10.011269      1.407115      6.643310
  C      -8.725975      1.253767      7.106769
  C      -7.981435      0.102928      6.771154
  H      -4.015292      5.818494      6.542869
  H      -4.311763      4.915036      8.039943
  H      -4.966820      2.874746      6.556233
  H      -6.115098      5.379752      5.182773
  H      -6.390551      0.269959      3.655014
  H     -10.528711      1.888336      2.579504
  H     -11.749382      4.013375      3.022826
  H     -10.637904      5.832797      4.294109
  H      -8.329535      5.567861      5.108659
  H       0.639556      2.309803      3.287665
  H      -1.136480      2.196577      3.203443
  H       0.693405     -0.004527      4.339799
  H      -0.950057     -1.539584      3.694644
  H      -3.748927      2.014328      0.734754
  H      -6.511118     -1.606911      1.231546
  H      -6.408746     -3.741509      2.556035
  H      -4.431904     -4.234985      4.015465
  H      -2.579842     -2.634991      4.172814
  H      -3.242820     -0.816710      7.821250
  H      -3.872801      0.044117      6.422764
  H      -4.262172      1.459899      9.090247
  H      -6.583787      1.276360      8.808052
  H      -6.064027     -3.013817      5.632431
  H     -10.322411     -1.441392      4.808682
  H     -11.610791      0.576221      5.450091
  H     -10.569284      2.292157      6.898045
  H      -8.273548      2.022526      7.716922
  N      -3.326153      2.234793      4.998975
  H      -4.242239      1.939944      4.581988
91
Coordinates from ORCA-job orca E -6200.097985000980
  N      -2.637667      4.249830      6.953965
  Mo     -2.021447      2.520160      6.173918
  N      -2.340429      1.067659      7.461742
  C      -1.482784      0.896115      8.632614
  C      -0.867286      2.229474      9.027108
  N      -0.404116      2.927189      7.810100
  C      -0.392650      4.398294      7.939213
  C      -1.818595      4.928269      7.950384
  C       0.872220      2.388232      7.293302
  C       0.956967      2.647215      5.797155
  N      -0.330645      2.368285      5.166006
  H      -1.790077      6.018150      7.762537
  H      -2.275815      4.806765      8.955462
  H       0.137494      4.793497      7.061522
  H       0.157963      4.722302      8.843236
  H       1.741714      1.999977      5.371074
  H       1.275298      3.689417      5.591235
  H       0.863223      1.303957      7.466838
  H       1.733241      2.818292      7.837273
  H      -2.067605      0.510747      9.486846
  H      -0.699222      0.140423      8.426404
  H      -1.642106      2.853353      9.492031
  H      -0.043542      2.103755      9.754308
  C      -4.006123      4.801805      6.945076
  C      -5.007194      3.934981      6.269346
  C      -5.952189      4.318993      5.383097
  C      -6.779405      3.325930      4.687362
  N      -6.223383      2.093062      4.436032
  C      -6.970996      1.177337      3.769143
  N      -8.198808      1.342324      3.288096
  C      -8.799476      2.569290      3.537450
  C     -10.133248      2.791093      3.101400
  C     -10.778500      3.990609      3.377276
  C     -10.119045      5.003775      4.101867
  C      -8.814818      4.818699      4.538140
  C      -8.121472      3.610170      4.257821
  C      -0.257013      1.884838      3.768257
  C      -0.173637      0.394846      3.804738
  C      -1.124285     -0.491183      3.421616
  C      -2.372291     -0.244064      2.718696
  N      -2.517340      0.881216      2.007286
  C      -3.677549      1.043611      1.328077
  N      -4.701431      0.209927      1.220304
  C      -4.589998     -0.941419      1.937171
  C      -5.655753     -1.872166      1.887406
  C      -5.589252     -3.034678      2.617333
  C      -4.457661     -3.295134      3.432016
  C      -3.408466     -2.397460      3.505314
  C      -3.433857     -1.213163      2.746993
  C      -3.513867      0.185176      7.462088
  C      -4.608266      0.779924      8.306547
  C      -5.937316      0.655426      8.150279
  C      -6.606809     -0.205281      7.203895
  N      -5.946302     -1.255583      6.777008
  C      -6.607398     -2.085418      5.960430
  N      -7.846370     -2.029834      5.536567
  C      -8.536801     -0.948975      5.936276
  C      -9.856284     -0.770622      5.474514
  C     -10.562705      0.378752      5.810354
  C      -9.977635      1.375637      6.622399
  C      -8.692556      1.208952      7.099049
  C      -7.946698      0.043769      6.777094
  H      -3.999120      5.817845      6.505185
  H      -4.311666      4.925136      8.007208
  H      -4.970390      2.873245      6.542336
  H      -6.094722      5.382917      5.136289
  H      -6.493931      0.204494      3.596720
  H     -10.629388      1.982233      2.562696
  H     -11.809009      4.151044      3.042347
  H     -10.641997      5.933810      4.323593
  H      -8.320553      5.599486      5.113297
  H       0.629298      2.307572      3.282149
  H      -1.136583      2.212482      3.205250
  H       0.706597     -0.013026      4.322186
  H      -0.942511     -1.527794      3.679953
  H      -3.762411      1.979913      0.782214
  H      -6.526415     -1.634259      1.270981
  H      -6.420676     -3.743596      2.585857
  H      -4.421914     -4.205534      4.018898
  H      -2.557199     -2.601722      4.163173
  H      -3.237330     -0.819148      7.838255
  H      -3.864220      0.038622      6.430342
  H      -4.264175      1.457822      9.086438
  H      -6.581291      1.247673      8.793769
  H      -6.035747     -2.919236      5.617045
  H     -10.273916     -1.535111      4.819371
  H     -11.571947      0.541613      5.421347
  H     -10.539783      2.309570      6.851462
  H      -8.242274      2.007841      7.698062
  N      -3.297526      2.235118      5.020741
  H      -4.207003      1.946422      4.616315
91
Coordinates from ORCA-job orca E -6200.099458290507
  N      -2.655162      4.246645      6.957542
  Mo     -2.027564      2.523199      6.177197
  N      -2.321970      1.060768      7.460218
  C      -1.462133      0.898524      8.631520
  C      -0.859195      2.241490      9.026284
  N      -0.409532      2.942763      7.808550
  C      -0.409284      4.415789      7.935270
  C      -1.840271      4.933243      7.951128
  C       0.870533      2.413154      7.290045
  C       0.953777      2.666373      5.792666
  N      -0.330041      2.380837      5.168982
  H      -1.825209      6.022657      7.763265
  H      -2.290270      4.808554      8.957223
  H       0.115204      4.815319      7.056461
  H       0.140278      4.743383      8.837867
  H       1.739693      2.019530      5.367566
  H       1.264560      3.707037      5.583392
  H       0.870646      1.330449      7.466064
  H       1.727410      2.849393      7.831914
  H      -2.041947      0.509341      9.485571
  H      -0.672944      0.148664      8.426562
  H      -1.638418      2.858796      9.494690
  H      -0.031128      2.124158      9.748667
  C      -4.029336      4.786838      6.953224
  C      -5.028303      3.910436      6.279846
  C      -5.980584      4.279455      5.397886
  C      -6.797133      3.285601      4.688482
  N      -6.228573      2.078391      4.411140
  C      -6.964507      1.183806      3.723867
  N      -8.191379      1.337385      3.249378
  C      -8.806867      2.535361      3.524574
  C     -10.143260      2.750641      3.091215
  C     -10.805767      3.943844      3.385874
  C     -10.157036      4.961114      4.122337
  C      -8.849493      4.777743      4.556389
  C      -8.141742      3.566176      4.261450
  C      -0.247680      1.896379      3.780354
  C      -0.161996      0.394087      3.807389
  C      -1.093924     -0.505800      3.415723
  C      -2.331267     -0.259897      2.710011
  N      -2.479314      0.885746      2.004625
  C      -3.625209      1.052864      1.322652
  N      -4.632658      0.205078      1.206005
  C      -4.524719     -0.964063      1.922249
  C      -5.578814     -1.907233      1.865720
  C      -5.527497     -3.082931      2.600723
  C      -4.427842     -3.348497      3.429012
  C      -3.379831     -2.443011      3.503758
  C      -3.387684     -1.242744      2.737688
  C      -3.483472      0.168314      7.458141
  C      -4.577287      0.766506      8.292080
  C      -5.912414      0.648383      8.138585
  C      -6.619710     -0.226623      7.189256
  N      -5.999045     -1.349836      6.735462
  C      -6.707114     -2.175257      5.908582
  N      -7.965233     -2.008642      5.492587
  C      -8.613807     -0.865529      5.920778
  C      -9.947079     -0.602875      5.475401
  C     -10.607850      0.549236      5.860476
  C      -9.962608      1.478704      6.702115
  C      -8.665004      1.251684      7.153598
  C      -7.965203      0.078808      6.784271
  H      -4.033493      5.802018      6.511736
  H      -4.328981      4.908729      8.017540
  H      -4.983476      2.857553      6.550160
  H      -6.135053      5.336676      5.158438
  H      -6.471014      0.232647      3.525086
  H     -10.628893      1.948820      2.539420
  H     -11.837312      4.096530      3.054927
  H     -10.692556      5.890818      4.357009
  H      -8.360205      5.559191      5.141226
  H       0.645012      2.339997      3.302550
  H      -1.122085      2.213199      3.217817
  H       0.707423     -0.004144      4.328270
  H      -0.895417     -1.561206      3.664576
  H      -3.719825      2.009473      0.782269
  H      -6.431077     -1.663100      1.242381
  H      -6.351466     -3.799236      2.563190
  H      -4.410560     -4.267721      4.028300
  H      -2.552387     -2.655694      4.171311
  H      -3.201511     -0.826291      7.839583
  H      -3.826554      0.011224      6.434987
  H      -4.223027      1.460132      9.070279
  H      -6.540103      1.270669      8.786509
  H      -6.172977     -3.038042      5.541332
  H     -10.410192     -1.320328      4.802850
  H     -11.624006      0.759122      5.494123
  H     -10.484796      2.396103      6.973925
  H      -8.170008      1.994494      7.775493
  N      -3.279006      2.230136      5.021657
  H      -4.181116      1.940475      4.613074
91
Coordinates from ORCA-job orca E -6200.098607413960
  N      -2.641861      4.251361      6.961027
  Mo     -2.029769      2.523215      6.177721
  N      -2.333837      1.067760      7.463176
  C      -1.474179      0.895855      8.636221
  C      -0.856655      2.233868      9.026598
  N      -0.404159      2.935443      7.805392
  C      -0.393793      4.408396      7.936200
  C      -1.819918      4.930911      7.955848
  C       0.871090      2.402952      7.279106
  C       0.953331      2.658206      5.781073
  N      -0.334348      2.375128      5.161777
  H      -1.800206      6.022088      7.770223
  H      -2.267623      4.804500      8.962470
  H       0.131403      4.807339      7.057409
  H       0.158980      4.729464      8.837656
  H       1.737908      2.006284      5.358352
  H       1.266692      3.698593      5.567588
  H       0.866934      1.317342      7.451889
  H       1.732320      2.834070      7.820888
  H      -2.057311      0.512155      9.491236
  H      -0.693375      0.137831      8.430592
  H      -1.630518      2.857160      9.494452
  H      -0.028859      2.110851      9.747632
  C      -4.016187      4.798747      6.963716
  C      -5.013028      3.924121      6.287168
  C      -5.955930      4.306203      5.398420
  C      -6.760319      3.320556      4.703189
  N      -6.182091      2.153331      4.462447
  C      -6.906525      1.225469      3.800924
  N      -8.126540      1.317979      3.323462
  C      -8.744739      2.492940      3.561339
  C     -10.068225      2.652669      3.118489
  C     -10.736174      3.825330      3.375414
  C     -10.101562      4.876481      4.086997
  C      -8.804426      4.741516      4.530998
  C      -8.094512      3.556761      4.269395
  C      -0.246723      1.885747      3.768408
  C      -0.146900      0.379990      3.808845
  C      -1.088074     -0.519222      3.422445
  C      -2.343021     -0.256853      2.719133
  N      -2.475983      0.878066      2.028740
  C      -3.630662      1.072846      1.352824
  N      -4.661408      0.257713      1.225655
  C      -4.564373     -0.906697      1.923108
  C      -5.640175     -1.817387      1.852633
  C      -5.593267     -2.988328      2.564466
  C      -4.480572     -3.282097      3.381539
  C      -3.419043     -2.405118      3.475737
  C      -3.419053     -1.210885      2.731729
  C      -3.509026      0.184132      7.457736
  C      -4.601863      0.794682      8.290088
  C      -5.939423      0.691169      8.135095
  C      -6.647435     -0.175514      7.186332
  N      -6.016884     -1.293199      6.743832
  C      -6.713320     -2.133438      5.927860
  N      -7.965605     -2.013708      5.521584
  C      -8.624488     -0.874134      5.933216
  C      -9.949681     -0.676334      5.499181
  C     -10.619802      0.466802      5.862660
  C      -9.991927      1.462976      6.666740
  C      -8.703915      1.295007      7.112327
  C      -7.991840      0.114739      6.772026
  H      -4.017280      5.814854      6.520843
  H      -4.317307      4.922050      8.029654
  H      -4.977291      2.865805      6.560765
  H      -6.113479      5.358717      5.159780
  H      -6.406495      0.270082      3.636781
  H     -10.541407      1.820275      2.586494
  H     -11.760945      3.942145      3.034847
  H     -10.643459      5.799145      4.291247
  H      -8.324508      5.550827      5.094738
  H       0.652417      2.337028      3.276415
  H      -1.143158      2.197740      3.206488
  H       0.739533     -0.019592      4.328423
  H      -0.893170     -1.570867      3.676041
  H      -3.707991      2.018167      0.819872
  H      -6.504560     -1.551035      1.235669
  H      -6.430351     -3.679842      2.514195
  H      -4.463761     -4.198715      3.959965
  H      -2.586018     -2.635588      4.139022
  H      -3.236282     -0.816734      7.837182
  H      -3.852246      0.026935      6.428912
  H      -4.247444      1.482747      9.068267
  H      -6.564249      1.314084      8.783309
  H      -6.165296     -3.040201      5.583782
  H     -10.401044     -1.443793      4.854095
  H     -11.628760      0.618409      5.507494
  H     -10.521732      2.367604      6.919867
  H      -8.222947      2.078863      7.709848
  N      -3.319825      2.201447      5.009718
  H      -4.254341      1.897561      4.597429
91
Coordinates from ORCA-job orca E -6200.098953919568
  N      -2.642712      4.246817      6.979994
  Mo     -2.039768      2.522885      6.188235
  N      -2.335998      1.057963      7.470562
  C      -1.468609      0.884433      8.627996
  C      -0.853591      2.220462      9.023781
  N      -0.407158      2.926056      7.807903
  C      -0.395500      4.395973      7.945392
  C      -1.818447      4.922232      7.972533
  C       0.861635      2.392838      7.276366
  C       0.933465      2.657107      5.783683
  N      -0.356541      2.384086      5.161550
  H      -1.793835      6.014166      7.788750
  H      -2.265856      4.796210      8.981304
  H       0.126061      4.795987      7.066904
  H       0.161580      4.714999      8.845207
  H       1.712796      2.009689      5.348341
  H       1.249635      3.700773      5.580890
  H       0.856601      1.306621      7.442757
  H       1.726524      2.821471      7.816719
  H      -2.043935      0.493901      9.484109
  H      -0.686778      0.132404      8.411013
  H      -1.623492      2.838607      9.500804
  H      -0.021807      2.093900      9.738353
  C      -4.006647      4.796787      6.977847
  C      -5.005396      3.937008      6.298947
  C      -5.940591      4.323160      5.408267
  C      -6.735862      3.334651      4.717070
  N      -6.139681      2.143594      4.501407
  C      -6.846901      1.209063      3.839430
  N      -8.063727      1.323183      3.336843
  C      -8.700682      2.521123      3.552801
  C     -10.024255      2.698627      3.089540
  C     -10.708687      3.869557      3.333936
  C     -10.095654      4.897686      4.056349
  C      -8.800145      4.754519      4.517561
  C      -8.071053      3.577773      4.266978
  C      -0.287450      1.912697      3.763666
  C      -0.217853      0.431956      3.794396
  C      -1.166991     -0.459328      3.401477
  C      -2.397973     -0.227258      2.679482
  N      -2.524558      0.905369      1.951256
  C      -3.658235      1.063297      1.256432
  N      -4.680296      0.218988      1.143710
  C      -4.591989     -0.943488      1.878863
  C      -5.660737     -1.886872      1.825782
  C      -5.613490     -3.059976      2.574231
  C      -4.502767     -3.320078      3.408673
  C      -3.452821     -2.409918      3.486232
  C      -3.460241     -1.212811      2.709388
  C      -3.511155      0.177514      7.475307
  C      -4.603032      0.775776      8.335146
  C      -5.946004      0.666846      8.187413
  C      -6.634985     -0.178514      7.236069
  N      -5.981853     -1.247528      6.807162
  C      -6.644313     -2.059233      5.981196
  N      -7.880629     -1.980743      5.552757
  C      -8.568091     -0.882688      5.952401
  C      -9.884348     -0.693405      5.485553
  C     -10.587666      0.448328      5.825677
  C     -10.003062      1.432359      6.644915
  C      -8.722493      1.262976      7.124949
  C      -7.976347      0.095976      6.802566
  H      -3.998272      5.810400      6.541418
  H      -4.308821      4.917160      8.037070
  H      -4.978049      2.878698      6.568547
  H      -6.092811      5.376217      5.162679
  H      -6.336542      0.235648      3.697884
  H     -10.483131      1.874607      2.552374
  H     -11.734827      3.999554      2.977692
  H     -10.651485      5.814621      4.253286
  H      -8.340301      5.550240      5.088597
  H       0.596276      2.341558      3.283174
  H      -1.166328      2.235855      3.204615
  H       0.646028      0.037673      4.319314
  H      -1.006050     -1.479122      3.665555
  H      -3.728369      2.006748      0.697437
  H      -6.516865     -1.648568      1.191167
  H      -6.444948     -3.777571      2.538278
  H      -4.479435     -4.240004      4.010010
  H      -2.614272     -2.615993      4.158707
  H      -3.230646     -0.835617      7.846318
  H      -3.867472      0.033566      6.439535
  H      -4.246183      1.446071      9.118261
  H      -6.579035      1.265984      8.839926
  H      -6.066549     -2.950622      5.647675
  H     -10.303023     -1.453356      4.827115
  H     -11.593778      0.608422      5.438097
  H     -10.563027      2.345630      6.881026
  H      -8.274635      2.046003      7.731959
  N      -3.342679      2.238746      5.030557
  H      -4.266254      1.962854      4.618472
91
Coordinates from ORCA-job orca E -6200.099456332461
  N      -2.652405      4.241805      6.963361
  Mo     -2.034186      2.517098      6.180444
  N      -2.335678      1.058722      7.464008
  C      -1.473383      0.889327      8.636280
  C      -0.860219      2.225578      9.030253
  N      -0.408213      2.927206      7.809558
  C      -0.400573      4.399728      7.941550
  C      -1.830843      4.923117      7.960273
  C       0.868810      2.392002      7.283747
  C       0.949050      2.654038      5.785091
  N      -0.343399      2.375400      5.161875
  H      -1.809023      6.014127      7.774573
  H      -2.282354      4.797173      8.967360
  H       0.124806      4.800322      7.062766
  H       0.152049      4.722386      8.844442
  H       1.732559      2.005873      5.355941
  H       1.266803      3.696250      5.577982
  H       0.861714      1.306919      7.455151
  H       1.732267      2.821224      7.825426
  H      -2.055782      0.502789      9.491719
  H      -0.687939      0.135157      8.430065
  H      -1.635057      2.845865      9.501608
  H      -0.030622      2.102508      9.751548
  C      -4.023860      4.798304      6.954527
  C      -5.024888      3.931613      6.278128
  C      -5.965636      4.309417      5.385356
  C      -6.794866      3.316477      4.681773
  N      -6.244776      2.079907      4.416405
  C      -6.994577      1.176347      3.737390
  N      -8.221354      1.350045      3.256481
  C      -8.816677      2.573281      3.519294
  C     -10.147205      2.799142      3.083037
  C     -10.785505      3.995888      3.369959
  C     -10.120839      5.009417      4.100375
  C      -8.819293      4.821489      4.536270
  C      -8.134002      3.607561      4.250010
  C      -0.269834      1.894506      3.766947
  C      -0.165478      0.393750      3.795811
  C      -1.105067     -0.504606      3.412486
  C      -2.369224     -0.253449      2.716929
  N      -2.537839      0.885885      2.008409
  C      -3.697073      1.049115      1.329196
  N      -4.700210      0.202531      1.220610
  C      -4.572142     -0.957137      1.939975
  C      -5.616085     -1.895782      1.891079
  C      -5.537017     -3.063995      2.625851
  C      -4.415823     -3.322490      3.445151
  C      -3.383233     -2.420042      3.514584
  C      -3.418174     -1.229774      2.750039
  C      -3.506812      0.173408      7.469568
  C      -4.599021      0.773752      8.308361
  C      -5.927102      0.652679      8.148623
  C      -6.602382     -0.215920      7.202559
  N      -5.950363     -1.298270      6.779043
  C      -6.622269     -2.131991      5.961305
  N      -7.872453     -2.024485      5.528788
  C      -8.552919     -0.911453      5.927162
  C      -9.880470     -0.691280      5.464229
  C     -10.572083      0.449624      5.817884
  C      -9.965418      1.405996      6.643679
  C      -8.673447      1.215000      7.113708
  C      -7.943030      0.054796      6.776716
  H      -4.016946      5.813216      6.514545
  H      -4.328369      4.922200      8.017169
  H      -4.993631      2.877250      6.559591
  H      -6.101686      5.375320      5.133161
  H      -6.519362      0.215387      3.548136
  H     -10.646378      1.995252      2.535883
  H     -11.813070      4.154813      3.037795
  H     -10.637659      5.938026      4.329011
  H      -8.319895      5.600829      5.116524
  H       0.615091      2.338514      3.270695
  H      -1.159319      2.214939      3.214395
  H       0.730060     -0.014415      4.305210
  H      -0.888156     -1.565517      3.658568
  H      -3.800236      1.998065      0.785354
  H      -6.481141     -1.658714      1.273301
  H      -6.351045     -3.778121      2.594144
  H      -4.374927     -4.235443      4.038853
  H      -2.539140     -2.624063      4.174165
  H      -3.229343     -0.824714      7.850481
  H      -3.856814      0.019838      6.442869
  H      -4.251144      1.460514      9.084758
  H      -6.567518      1.259587      8.786622
  H      -6.060099     -2.978686      5.617599
  H     -10.313825     -1.430609      4.801905
  H     -11.587050      0.631053      5.436257
  H     -10.514536      2.323223      6.891430
  H      -8.207346      1.980488      7.724259
  N      -3.290685      2.241239      5.034305
  H      -4.191634      1.968608      4.631862
91
Coordinates from ORCA-job orca E -6200.100262100313
  N      -2.653902      4.243804      6.962526
  Mo     -2.029295      2.511912      6.190753
  N      -2.314705      1.051306      7.476648
  C      -1.451105      0.892215      8.644724
  C      -0.849338      2.237852      9.031870
  N      -0.409394      2.940061      7.811608
  C      -0.411456      4.412794      7.938496
  C      -1.841279      4.929182      7.955364
  C       0.867880      2.414587      7.285229
  C       0.945855      2.667495      5.789297
  N      -0.336857      2.381065      5.173350
  H      -1.827016      6.017951      7.767165
  H      -2.290411      4.804366      8.960830
  H       0.112106      4.811956      7.058772
  H       0.138753      4.739894      8.840550
  H       1.730651      2.018530      5.363888
  H       1.254588      3.706356      5.575438
  H       0.870594      1.331817      7.458863
  H       1.725080      2.850667      7.824321
  H      -2.026174      0.503943      9.501670
  H      -0.662491      0.142655      8.436869
  H      -1.627612      2.854757      9.502618
  H      -0.017005      2.124779      9.749310
  C      -4.027709      4.781575      6.956139
  C      -5.026910      3.897052      6.288292
  C      -5.967837      4.265244      5.389470
  C      -6.784180      3.273321      4.687994
  N      -6.224690      2.073866      4.436726
  C      -6.965148      1.169867      3.767443
  N      -8.186759      1.304721      3.290823
  C      -8.791204      2.504566      3.534805
  C     -10.119811      2.718748      3.085827
  C     -10.772128      3.932774      3.340569
  C     -10.119412      4.964626      4.056988
  C      -8.818652      4.774952      4.508680
  C      -8.121865      3.550447      4.248289
  C      -0.258740      1.902820      3.784890
  C      -0.169988      0.405430      3.802575
  C      -1.096990     -0.493598      3.405191
  C      -2.335746     -0.241744      2.705246
  N      -2.483929      0.899480      2.013192
  C      -3.652060      1.080406      1.350343
  N      -4.677437      0.250103      1.241573
  C      -4.562803     -0.917444      1.941479
  C      -5.641633     -1.841079      1.898895
  C      -5.581724     -3.014445      2.616796
  C      -4.450011     -3.298944      3.412135
  C      -3.385909     -2.409622      3.479426
  C      -3.402488     -1.211241      2.732132
  C      -3.475352      0.157150      7.473960
  C      -4.571970      0.756766      8.299141
  C      -5.903918      0.645474      8.140509
  C      -6.611973     -0.223243      7.186095
  N      -5.997178     -1.350191      6.736480
  C      -6.709598     -2.180119      5.912869
  N      -7.963526     -2.032951      5.504348
  C      -8.603340     -0.886498      5.924592
  C      -9.931049     -0.659426      5.489910
  C     -10.581496      0.498020      5.859073
  C      -9.931913      1.480626      6.669843
  C      -8.640974      1.280202      7.116728
  C      -7.951788      0.086286      6.770971
  H      -4.031481      5.794669      6.502627
  H      -4.327450      4.913139      8.022634
  H      -4.993357      2.842373      6.576024
  H      -6.116475      5.321904      5.137097
  H      -6.481681      0.216825      3.593721
  H     -10.608461      1.906969      2.549259
  H     -11.797754      4.092484      2.993987
  H     -10.646995      5.914176      4.258522
  H      -8.324774      5.570106      5.076010
  H       0.628046      2.352123      3.310062
  H      -1.135772      2.212982      3.228772
  H       0.691420      0.014482      4.324018
  H      -0.906242     -1.543985      3.652476
  H      -3.744286      2.029871      0.815130
  H      -6.520349     -1.582611      1.300385
  H      -6.424107     -3.715766      2.590167
  H      -4.422608     -4.218554      3.994367
  H      -2.540608     -2.632774      4.127043
  H      -3.194703     -0.834092      7.856476
  H      -3.811917     -0.005520      6.451955
  H      -4.224855      1.449230      9.079159
  H      -6.531614      1.268487      8.790197
  H      -6.182652     -3.061637      5.556536
  H     -10.398098     -1.413373      4.838749
  H     -11.592817      0.676620      5.502098
  H     -10.445693      2.407341      6.925998
  H      -8.141652      2.056097      7.718670
  N      -3.314160      2.177511      5.035952
  H      -4.252402      1.878957      4.622868
91
Coordinates from ORCA-job orca E -6200.100062242257
  N      -2.646917      4.238277      6.985555
  Mo     -2.039721      2.520785      6.189626
  N      -2.330663      1.056337      7.470174
  C      -1.462017      0.880604      8.633146
  C      -0.845128      2.217330      9.028603
  N      -0.402404      2.927835      7.809249
  C      -0.394391      4.399206      7.951202
  C      -1.821677      4.916109      7.981628
  C       0.868716      2.399927      7.270111
  C       0.938598      2.667111      5.774220
  N      -0.354654      2.391203      5.157401
  H      -1.805639      6.009200      7.801429
  H      -2.264895      4.782914      8.990501
  H       0.124628      4.806238      7.073908
  H       0.161827      4.716680      8.851424
  H       1.717975      2.021015      5.337610
  H       1.251440      3.710663      5.571232
  H       0.866008      1.312426      7.433042
  H       1.734061      2.828060      7.809479
  H      -2.038045      0.489129      9.489075
  H      -0.680839      0.127917      8.416739
  H      -1.616164      2.833713      9.507624
  H      -0.011770      2.091766      9.741938
  C      -4.017237      4.792352      6.984305
  C      -5.013686      3.930708      6.300939
  C      -5.945132      4.316677      5.403533
  C      -6.737415      3.333982      4.704620
  N      -6.142801      2.153075      4.489540
  C      -6.848352      1.209525      3.829050
  N      -8.063216      1.305104      3.327020
  C      -8.698047      2.492397      3.541099
  C     -10.018267      2.639947      3.081856
  C     -10.705280      3.791049      3.333305
  C     -10.093241      4.834625      4.055104
  C      -8.798617      4.721318      4.510045
  C      -8.069661      3.559274      4.254437
  C      -0.283864      1.919196      3.750117
  C      -0.182816      0.418483      3.783302
  C      -1.131189     -0.479204      3.400639
  C      -2.377660     -0.236187      2.693040
  N      -2.490331      0.892057      1.983607
  C      -3.617730      1.066444      1.291098
  N      -4.645707      0.239073      1.165321
  C      -4.572047     -0.919426      1.886260
  C      -5.644174     -1.843770      1.819566
  C      -5.614051     -3.011974      2.553138
  C      -4.520280     -3.290636      3.385810
  C      -3.461367     -2.400272      3.475537
  C      -3.450414     -1.205221      2.713077
  C      -3.509262      0.176446      7.473317
  C      -4.596989      0.789827      8.322884
  C      -5.942048      0.690300      8.173185
  C      -6.649626     -0.168309      7.223852
  N      -6.016092     -1.277751      6.790241
  C      -6.703543     -2.107363      5.970911
  N      -7.953562     -1.994963      5.557860
  C      -8.617610     -0.864030      5.961093
  C      -9.941728     -0.652612      5.510093
  C     -10.617246      0.504750      5.853783
  C      -9.995583      1.484281      6.661563
  C      -8.709079      1.299955      7.125491
  C      -7.991864      0.120787      6.799602
  H      -4.010206      5.807380      6.548883
  H      -4.320870      4.911370      8.044883
  H      -4.989691      2.876785      6.576876
  H      -6.101172      5.358354      5.165806
  H      -6.335610      0.227159      3.693944
  H     -10.474446      1.803556      2.546457
  H     -11.728909      3.892546      2.983585
  H     -10.650581      5.733172      4.258564
  H      -8.337257      5.523387      5.082030
  H       0.605011      2.371794      3.243540
  H      -1.195081      2.239095      3.200741
  H       0.711723      0.018766      4.297177
  H      -0.951226     -1.512550      3.660644
  H      -3.678568      2.007178      0.743607
  H      -6.488054     -1.591706      1.186527
  H      -6.448753     -3.713370      2.505818
  H      -4.510283     -4.208353      3.976700
  H      -2.634563     -2.622267      4.146256
  H      -3.232843     -0.833361      7.850481
  H      -3.864440      0.025018      6.440812
  H      -4.233516      1.467735      9.103595
  H      -6.568134      1.306734      8.824250
  H      -6.148255     -3.021772      5.638211
  H     -10.387552     -1.410088      4.863088
  H     -11.626490      0.675869      5.481119
  H     -10.529294      2.393341      6.902054
  H      -8.234486      2.074616      7.724058
  N      -3.332313      2.234398      5.044359
  H      -4.261525      1.962806      4.643345
91
Coordinates from ORCA-job orca E -6200.099786294207
  N      -2.647390      4.237583      6.978541
  Mo     -2.047288      2.510963      6.191387
  N      -2.342746      1.052616      7.477965
  C      -1.474182      0.880456      8.641586
  C      -0.853194      2.214678      9.030872
  N      -0.407865      2.916255      7.807505
  C      -0.393222      4.387620      7.942851
  C      -1.818710      4.914132      7.971245
  C       0.860377      2.377715      7.271132
  C       0.931119      2.644718      5.776093
  N      -0.366426      2.376744      5.158132
  H      -1.794210      6.005872      7.786359
  H      -2.264819      4.788520      8.980451
  H       0.127970      4.786971      7.062545
  H       0.165501      4.706964      8.842072
  H       1.708336      1.993560      5.340142
  H       1.253750      3.687011      5.570969
  H       0.849438      1.290950      7.437486
  H       1.730208      2.800928      7.809743
  H      -2.053181      0.496819      9.500229
  H      -0.693496      0.123213      8.430683
  H      -1.621176      2.836459      9.508118
  H      -0.018804      2.088891      9.744769
  C      -4.012267      4.802326      6.973125
  C      -5.015119      3.941994      6.299922
  C      -5.942200      4.322927      5.402471
  C      -6.753016      3.323908      4.720473
  N      -6.175961      2.133343      4.490574
  C      -6.897896      1.215081      3.822134
  N      -8.117335      1.341895      3.325262
  C      -8.733735      2.530226      3.554630
  C     -10.051298      2.727890      3.087766
  C     -10.707892      3.930507      3.317587
  C     -10.073973      4.968678      4.028646
  C      -8.785238      4.795023      4.500809
  C      -8.082751      3.582726      4.267398
  C      -0.298748      1.906612      3.761623
  C      -0.207342      0.422945      3.785295
  C      -1.150088     -0.474650      3.392277
  C      -2.408889     -0.230559      2.682871
  N      -2.576938      0.907940      1.963143
  C      -3.730447      1.069304      1.276491
  N      -4.735182      0.221316      1.168380
  C      -4.611025     -0.939162      1.899057
  C      -5.658139     -1.878962      1.851629
  C      -5.578857     -3.048922      2.596438
  C      -4.455168     -3.307488      3.421897
  C      -3.420459     -2.402708      3.490595
  C      -3.456879     -1.210391      2.716966
  C      -3.523249      0.176158      7.492392
  C      -4.614850      0.781960      8.339262
  C      -5.949426      0.667943      8.180636
  C      -6.619340     -0.186270      7.232600
  N      -5.951185     -1.245270      6.817498
  C      -6.598903     -2.075355      6.000594
  N      -7.837230     -2.007019      5.565453
  C      -8.538962     -0.913883      5.953273
  C      -9.858181     -0.729064      5.484177
  C     -10.573422      0.403024      5.819564
  C      -9.998472      1.381324      6.634081
  C      -8.715467      1.222540      7.113319
  C      -7.958944      0.068868      6.796195
  H      -3.998274      5.814171      6.531733
  H      -4.314293      4.930029      8.033846
  H      -5.000730      2.887150      6.587182
  H      -6.073133      5.384989      5.137782
  H      -6.400722      0.283134      3.651053
  H     -10.525363      1.909042      2.550547
  H     -11.728033      4.084361      2.953237
  H     -10.606384      5.920684      4.207196
  H      -8.309371      5.601845      5.061775
  H       0.577485      2.345245      3.274282
  H      -1.182636      2.225179      3.210113
  H       0.680609      0.018809      4.297358
  H      -0.947004     -1.521214      3.639257
  H      -3.829484      2.017003      0.722445
  H      -6.525532     -1.641530      1.226157
  H      -6.394438     -3.763049      2.565861
  H      -4.412268     -4.222705      4.021305
  H      -2.571674     -2.605928      4.154964
  H      -3.248576     -0.827488      7.875021
  H      -3.879651      0.022075      6.460977
  H      -4.263561      1.461140      9.116171
  H      -6.589386      1.265989      8.820140
  H      -6.012119     -2.929243      5.664966
  H     -10.268419     -1.486839      4.829101
  H     -11.583611      0.559431      5.431227
  H     -10.568245      2.291832      6.865725
  H      -8.275144      2.007059      7.715196
  N      -3.341305      2.239948      5.050058
  H      -4.260126      1.984450      4.649513
91
Coordinates from ORCA-job orca E -6200.100216290781
  N      -2.654749      4.244968      6.971608
  Mo     -2.038598      2.509950      6.201724
  N      -2.322659      1.047814      7.488484
  C      -1.455752      0.887398      8.652693
  C      -0.848722      2.228228      9.037467
  N      -0.412211      2.928926      7.816508
  C      -0.408930      4.400192      7.943762
  C      -1.836930      4.925039      7.962228
  C       0.860196      2.396781      7.285042
  C       0.932104      2.660529      5.790075
  N      -0.356348      2.385177      5.173548
  H      -1.816857      6.013558      7.772871
  H      -2.286840      4.802271      8.968328
  H       0.115307      4.797725      7.062516
  H       0.143728      4.724316      8.845625
  H       1.712755      2.010372      5.356462
  H       1.247890      3.702184      5.582407
  H       0.856070      1.312155      7.454268
  H       1.723328      2.824691      7.823341
  H      -2.029959      0.501428      9.511498
  H      -0.669174      0.135721      8.443749
  H      -1.622176      2.847129      9.513484
  H      -0.012777      2.110353      9.750743
  C      -4.020636      4.801501      6.955976
  C      -5.026041      3.926468      6.287105
  C      -5.954579      4.299362      5.374559
  C      -6.778537      3.298919      4.674731
  N      -6.228570      2.051680      4.434504
  C      -6.975855      1.137825      3.768741
  N      -8.196996      1.307230      3.279755
  C      -8.793520      2.547094      3.513621
  C     -10.123513      2.773331      3.065833
  C     -10.766525      3.969110      3.335611
  C     -10.106745      4.985890      4.057634
  C      -8.805099      4.807302      4.499195
  C      -8.115867      3.591256      4.230545
  C      -0.288270      1.918910      3.780940
  C      -0.180720      0.415523      3.783865
  C      -1.102389     -0.488320      3.382924
  C      -2.351850     -0.237454      2.691188
  N      -2.517433      0.907878      1.995423
  C      -3.689568      1.076262      1.332532
  N      -4.705241      0.232804      1.229356
  C      -4.577069     -0.934342      1.935915
  C      -5.645282     -1.869573      1.900981
  C      -5.571799     -3.042212      2.627416
  C      -4.434343     -3.311214      3.423979
  C      -3.380575     -2.411588      3.481570
  C      -3.410133     -1.215979      2.725935
  C      -3.485494      0.156902      7.494616
  C      -4.583289      0.757426      8.318059
  C      -5.912172      0.639873      8.153506
  C      -6.602217     -0.230205      7.202339
  N      -5.972921     -1.337981      6.769275
  C      -6.666064     -2.162894      5.945880
  N      -7.914206     -2.027534      5.518976
  C      -8.570943     -0.895758      5.925501
  C      -9.895329     -0.670690      5.473258
  C     -10.563464      0.472497      5.835196
  C      -9.935799      1.444920      6.654325
  C      -8.646750      1.249090      7.115438
  C      -7.939968      0.067849      6.776656
  H      -4.008372      5.814858      6.500625
  H      -4.324261      4.939174      8.020563
  H      -5.009556      2.870091      6.586785
  H      -6.079991      5.375899      5.097295
  H      -6.503215      0.139999      3.615315
  H     -10.620142      1.963725      2.528262
  H     -11.793780      4.119660      2.999256
  H     -10.627690      5.905686      4.276805
  H      -8.308609      5.586387      5.074337
  H       0.590483      2.380364      3.299681
  H      -1.168815      2.232205      3.234648
  H       0.690193      0.019865      4.294582
  H      -0.892046     -1.547590      3.615267
  H      -3.794569      2.027969      0.796946
  H      -6.527274     -1.622985      1.302821
  H      -6.406615     -3.752685      2.608302
  H      -4.398051     -4.228315      4.012545
  H      -2.530780     -2.621945      4.129302
  H      -3.205953     -0.833570      7.883198
  H      -3.824205     -0.007950      6.471832
  H      -4.239969      1.450702      9.095111
  H      -6.547607      1.258253      8.793001
  H      -6.124164     -3.023110      5.593798
  H     -10.345775     -1.417168      4.814520
  H     -11.574124      0.650158      5.464668
  H     -10.465888      2.371278      6.904746
  H      -8.163249      2.021707      7.722892
  N      -3.320832      2.189718      5.052236
  H      -4.253941      1.911511      4.640932
91
Coordinates from ORCA-job orca E -6200.100965743383
  N      -2.665628      4.215247      6.984934
  Mo     -2.042214      2.502232      6.192138
  N      -2.314120      1.037583      7.471651
  C      -1.442434      0.871900      8.636804
  C      -0.836551      2.216448      9.028783
  N      -0.406306      2.930719      7.807240
  C      -0.413444      4.403592      7.948303
  C      -1.847598      4.904191      7.981121
  C       0.869054      2.414955      7.263096
  C       0.935787      2.680314      5.765982
  N      -0.354530      2.393988      5.153895
  H      -1.845227      5.996905      7.802757
  H      -2.288043      4.765710      8.990027
  H       0.099141      4.816750      7.070818
  H       0.141292      4.727772      8.847791
  H       1.717879      2.039518      5.329520
  H       1.240539      3.721567      5.560842
  H       0.875005      1.329650      7.425307
  H       1.730390      2.849840      7.799297
  H      -2.014237      0.477821      9.494112
  H      -0.655606      0.124748      8.421317
  H      -1.612319      2.825890      9.510393
  H       0.000885      2.101468      9.738859
  C      -4.041533      4.759711      6.986539
  C      -5.041450      3.896093      6.306228
  C      -5.973720      4.274831      5.403080
  C      -6.780179      3.303215      4.687710
  N      -6.205014      2.115216      4.440350
  C      -6.929890      1.196310      3.767159
  N      -8.150380      1.314386      3.280287
  C      -8.768400      2.509291      3.518053
  C     -10.094524      2.698417      3.062509
  C     -10.761254      3.899272      3.315414
  C     -10.124244      4.936214      4.039120
  C      -8.825680      4.766100      4.499504
  C      -8.115432      3.561167      4.239342
  C      -0.276874      1.917664      3.754228
  C      -0.163722      0.417725      3.782161
  C      -1.098946     -0.485615      3.401170
  C      -2.346569     -0.245757      2.704816
  N      -2.480155      0.883735      2.002581
  C      -3.626027      1.054144      1.324184
  N      -4.646897      0.221540      1.210580
  C      -4.549069     -0.934579      1.926299
  C      -5.614507     -1.861065      1.876193
  C      -5.563921     -3.026214      2.606122
  C      -4.453993     -3.301108      3.419191
  C      -3.400694     -2.409376      3.492433
  C      -3.410236     -1.216561      2.734443
  C      -3.483993      0.149504      7.476584
  C      -4.570771      0.764313      8.314991
  C      -5.907876      0.665998      8.158626
  C      -6.620325     -0.198814      7.205615
  N      -6.004662     -1.322199      6.760035
  C      -6.716498     -2.151273      5.937778
  N      -7.975049     -2.015545      5.534765
  C      -8.615803     -0.872925      5.950454
  C      -9.945295     -0.640811      5.511944
  C     -10.596111      0.535111      5.864884
  C      -9.942769      1.513865      6.670375
  C      -8.649755      1.301546      7.124595
  C      -7.960946      0.105796      6.788886
  H      -4.040792      5.772507      6.550773
  H      -4.339236      4.877075      8.048069
  H      -5.017752      2.851820      6.590096
  H      -6.124475      5.303736      5.170805
  H      -6.431672      0.245901      3.595409
  H     -10.570307      1.876615      2.522538
  H     -11.785260      4.041633      2.962870
  H     -10.662660      5.877314      4.238534
  H      -8.343997      5.564396      5.072343
  H       0.608351      2.382537      3.252890
  H      -1.185943      2.223810      3.208224
  H       0.725415      0.030746      4.293674
  H      -0.910285     -1.519480      3.657900
  H      -3.706605      1.996309      0.780645
  H      -6.472012     -1.611572      1.260481
  H      -6.394664     -3.729549      2.572411
  H      -4.430073     -4.216106      4.008601
  H      -2.563482     -2.629466      4.147367
  H      -3.204604     -0.852075      7.857522
  H      -3.835588     -0.007327      6.450450
  H      -4.210968      1.448373      9.096003
  H      -6.533621      1.292019      8.808180
  H      -6.184804     -3.063143      5.595119
  H     -10.414062     -1.393972      4.865880
  H     -11.608404      0.724641      5.501402
  H     -10.455205      2.441958      6.916580
  H      -8.148948      2.072166      7.721933
  N      -3.328899      2.206724      5.066840
  H      -4.263870      1.936234      4.673815
91
Coordinates from ORCA-job orca E -6200.101465253489
  N      -2.632720      4.250462      6.983370
  Mo     -2.040399      2.513022      6.207172
  N      -2.336886      1.055508      7.500338
  C      -1.470178      0.885205      8.662776
  C      -0.847530      2.220945      9.047670
  N      -0.400823      2.915067      7.821877
  C      -0.378744      4.386208      7.949090
  C      -1.800759      4.922934      7.971668
  C       0.863411      2.365922      7.287913
  C       0.933924      2.632588      5.793849
  N      -0.365863      2.378406      5.179452
  H      -1.770552      6.011971      7.779501
  H      -2.247139      4.804996      8.980131
  H       0.147546      4.777457      7.066479
  H       0.179109      4.704954      8.849117
  H       1.705813      1.974818      5.355339
  H       1.262452      3.673551      5.588384
  H       0.844794      1.279007      7.455147
  H       1.737220      2.780636      7.826738
  H      -2.049749      0.506004      9.523093
  H      -0.691195      0.124695      8.455052
  H      -1.614334      2.847776      9.522598
  H      -0.012784      2.094660      9.762098
  C      -3.991933      4.828270      6.959376
  C      -4.994588      3.955174      6.293510
  C      -5.910894      4.331236      5.380591
  C      -6.711212      3.314737      4.716671
  N      -6.122839      2.126543      4.528751
  C      -6.830121      1.186088      3.878201
  N      -8.040629      1.283971      3.366294
  C      -8.669369      2.465406      3.559535
  C      -9.982703      2.624408      3.080921
  C     -10.660360      3.795741      3.294996
  C     -10.046902      4.846634      3.998897
  C      -8.758455      4.719747      4.474178
  C      -8.038550      3.538787      4.255717
  C      -0.320638      1.932902      3.762117
  C      -0.226789      0.449219      3.768110
  C      -1.172934     -0.442839      3.369845
  C      -2.428537     -0.194764      2.668501
  N      -2.570222      0.943932      1.966842
  C      -3.711090      1.112830      1.280878
  N      -4.729507      0.274422      1.157037
  C      -4.630687     -0.890492      1.872395
  C      -5.699361     -1.822542      1.813059
  C      -5.644377     -2.997013      2.542520
  C      -4.524667     -3.272799      3.361029
  C      -3.470458     -2.374524      3.443527
  C      -3.487459     -1.173814      2.687768
  C      -3.520751      0.184443      7.512711
  C      -4.615100      0.798329      8.348598
  C      -5.956029      0.688636      8.187989
  C      -6.643207     -0.175482      7.242510
  N      -5.990460     -1.273819      6.826649
  C      -6.652625     -2.112492      6.012210
  N      -7.893615     -2.019506      5.584062
  C      -8.580052     -0.896633      5.970975
  C      -9.899409     -0.702597      5.507650
  C     -10.596969      0.437825      5.842046
  C     -10.003450      1.417717      6.649551
  C      -8.722592      1.259537      7.121041
  C      -7.982727      0.096047      6.806997
  H      -3.966117      5.839069      6.496885
  H      -4.303209      4.978361      8.020943
  H      -4.994378      2.894036      6.599822
  H      -6.038724      5.398725      5.092583
  H      -6.323372      0.238503      3.745038
  H     -10.439411      1.792882      2.552173
  H     -11.680048      3.914487      2.925895
  H     -10.597419      5.771093      4.168774
  H      -8.296008      5.534894      5.029400
  H       0.544663      2.375261      3.261911
  H      -1.223126      2.262743      3.223830
  H       0.671282      0.036491      4.268761
  H      -0.973447     -1.489211      3.603793
  H      -3.787626      2.056518      0.734497
  H      -6.562826     -1.572438      1.190504
  H      -6.477591     -3.704423      2.503107
  H      -4.495499     -4.195012      3.946691
  H      -2.626259     -2.591507      4.105867
  H      -3.250324     -0.816109      7.904794
  H      -3.869960      0.020041      6.483620
  H      -4.261913      1.483167      9.123685
  H      -6.590631      1.299761      8.825890
  H      -6.079784     -2.983597      5.675473
  H     -10.323547     -1.466006      4.861233
  H     -11.605067      0.590843      5.463512
  H     -10.556059      2.314505      6.884246
  H      -8.270251      2.040007      7.718525
  N      -3.334423      2.216252      5.059798
  H      -4.267144      1.962563      4.657207
91
Coordinates from ORCA-job orca E -6200.101845876583
  N      -2.672064      4.219681      6.990212
  Mo     -2.060353      2.498873      6.202125
  N      -2.328857      1.034113      7.483496
  C      -1.451706      0.868521      8.641302
  C      -0.840592      2.207931      9.027812
  N      -0.417658      2.919354      7.805340
  C      -0.419535      4.390265      7.947983
  C      -1.850268      4.900425      7.985130
  C       0.850493      2.397558      7.254382
  C       0.910982      2.668995      5.759748
  N      -0.382233      2.390394      5.148885
  H      -1.838944      5.993726      7.807535
  H      -2.293017      4.763742      8.995366
  H       0.093258      4.800460      7.068576
  H       0.139213      4.711143      8.846535
  H       1.690127      2.024745      5.318417
  H       1.222229      3.711631      5.555023
  H       0.851247      1.310961      7.414338
  H       1.717212      2.826672      7.788251
  H      -2.020259      0.478266      9.501624
  H      -0.666993      0.119160      8.422782
  H      -1.609537      2.820301      9.515936
  H       0.002393      2.088757      9.730985
  C      -4.039391      4.773666      6.992192
  C      -5.043497      3.918432      6.315074
  C      -5.963538      4.298514      5.403301
  C      -6.770897      3.320281      4.693401
  N      -6.200846      2.107702      4.457040
  C      -6.928124      1.190879      3.783262
  N      -8.146292      1.331757      3.285029
  C      -8.756610      2.549766      3.513188
  C     -10.077655      2.752667      3.053779
  C     -10.731382      3.945471      3.306061
  C     -10.091400      4.978492      4.026047
  C      -8.799362      4.809824      4.485817
  C      -8.100150      3.598500      4.234348
  C      -0.301823      1.918916      3.765823
  C      -0.183921      0.415750      3.775052
  C      -1.104788     -0.496110      3.373875
  C      -2.359743     -0.250996      2.672351
  N      -2.529513      0.889914      1.957548
  C      -3.696514      1.058225      1.285765
  N      -4.706976      0.215287      1.188343
  C      -4.579635     -0.946146      1.914609
  C      -5.636029     -1.878123      1.882267
  C      -5.560850     -3.045354      2.626390
  C      -4.434848     -3.310077      3.438595
  C      -3.390929     -2.414193      3.492443
  C      -3.418577     -1.224697      2.717487
  C      -3.498751      0.147361      7.500199
  C      -4.588576      0.757979      8.340478
  C      -5.920958      0.655383      8.179186
  C      -6.604757     -0.194744      7.226092
  N      -5.960896     -1.271116      6.801581
  C      -6.636536     -2.092831      5.981333
  N      -7.881632     -1.990556      5.553187
  C      -8.555306     -0.879683      5.949489
  C      -9.877013     -0.671918      5.490991
  C     -10.562165      0.468477      5.837244
  C      -9.954125      1.450297      6.647238
  C      -8.667588      1.266199      7.117441
  C      -7.942775      0.089386      6.794084
  H      -4.031569      5.784682      6.557604
  H      -4.333208      4.892122      8.052680
  H      -5.031719      2.873599      6.606016
  H      -6.090160      5.354589      5.142327
  H      -6.439821      0.193714      3.637424
  H     -10.558768      1.928835      2.515721
  H     -11.753450      4.085460      2.956560
  H     -10.621467      5.902846      4.230280
  H      -8.318586      5.600352      5.060047
  H       0.580005      2.394480      3.284202
  H      -1.181957      2.219207      3.219621
  H       0.688412      0.029331      4.289208
  H      -0.890466     -1.551302      3.610921
  H      -3.803158      2.010275      0.738477
  H      -6.508273     -1.635122      1.270312
  H      -6.383930     -3.752653      2.607789
  H      -4.398154     -4.222417      4.039859
  H      -2.543212     -2.622925      4.146913
  H      -3.219174     -0.852005      7.884210
  H      -3.852532     -0.010686      6.471806
  H      -4.236664      1.438496      9.119701
  H      -6.555587      1.266159      8.821699
  H      -6.074243     -2.956860      5.637751
  H     -10.313238     -1.423118      4.836430
  H     -11.572891      0.641636      5.457092
  H     -10.499503      2.384234      6.880611
  H      -8.199111      2.052492      7.716219
  N      -3.368584      2.206620      5.067337
  H      -4.305635      1.951657      4.663327
91
Coordinates from ORCA-job orca E -6200.101988029519
  N      -2.658163      4.225521      6.978423
  Mo     -2.036558      2.493768      6.209031
  N      -2.310987      1.033256      7.499219
  C      -1.442863      0.877495      8.665656
  C      -0.839671      2.224005      9.048807
  N      -0.406279      2.923832      7.823491
  C      -0.407018      4.396550      7.946464
  C      -1.838734      4.912911      7.966988
  C       0.867475      2.392445      7.289777
  C       0.938801      2.653819      5.792832
  N      -0.354833      2.383006      5.180626
  H      -1.825368      6.001042      7.775449
  H      -2.284158      4.790267      8.974284
  H       0.113059      4.794983      7.063827
  H       0.145985      4.725506      8.846613
  H       1.716786      2.001789      5.358110
  H       1.257151      3.693802      5.583229
  H       0.862537      1.308450      7.459084
  H       1.732923      2.819213      7.826761
  H      -2.016926      0.492018      9.526287
  H      -0.654135      0.127302      8.459471
  H      -1.616187      2.839906      9.524403
  H      -0.002136      2.112634      9.762180
  C      -4.024371      4.790893      6.949319
  C      -5.030662      3.912091      6.286847
  C      -5.953173      4.278547      5.365820
  C      -6.776138      3.277670      4.671053
  N      -6.221626      2.050716      4.434268
  C      -6.962846      1.129398      3.770833
  N      -8.183005      1.282666      3.279036
  C      -8.784738      2.506844      3.507829
  C     -10.112263      2.729674      3.048461
  C     -10.760779      3.937740      3.302187
  C     -10.106719      4.960760      4.022941
  C      -8.806505      4.775696      4.479260
  C      -8.112683      3.554929      4.223022
  C      -0.301741      1.936800      3.765956
  C      -0.182200      0.437015      3.763857
  C      -1.115792     -0.460983      3.375022
  C      -2.373273     -0.214243      2.694512
  N      -2.528954      0.926913      2.005424
  C      -3.689409      1.091818      1.338177
  N      -4.702566      0.247724      1.226128
  C      -4.583390     -0.916276      1.930384
  C      -5.646083     -1.853086      1.886595
  C      -5.576719     -3.025144      2.608017
  C      -4.446636     -3.295500      3.404530
  C      -3.396447     -2.394437      3.470390
  C      -3.426855     -1.195659      2.723258
  C      -3.478730      0.146777      7.508829
  C      -4.570643      0.759625      8.333530
  C      -5.903827      0.649832      8.168724
  C      -6.604125     -0.225908      7.219518
  N      -5.985454     -1.343220      6.785012
  C      -6.688701     -2.166078      5.960550
  N      -7.940561     -2.027975      5.540823
  C      -8.585470     -0.893362      5.949020
  C      -9.910782     -0.660380      5.497684
  C     -10.566372      0.509045      5.846648
  C      -9.923095      1.481191      6.659389
  C      -8.633101      1.266473      7.125249
  C      -7.940281      0.076117      6.793521
  H      -4.004861      5.799378      6.480755
  H      -4.332950      4.944106      8.011648
  H      -5.023632      2.861297      6.601473
  H      -6.081053      5.334625      5.089817
  H      -6.480610      0.185952      3.596715
  H     -10.602557      1.922147      2.508344
  H     -11.785616      4.096308      2.951702
  H     -10.631024      5.901983      4.223818
  H      -8.312074      5.566450      5.049437
  H       0.566253      2.406447      3.259500
  H      -1.211324      2.256528      3.236766
  H       0.706961      0.041886      4.262905
  H      -0.918639     -1.500166      3.613278
  H      -3.783778      2.037861      0.801311
  H      -6.520335     -1.606698      1.285947
  H      -6.407191     -3.736874      2.581509
  H      -4.408656     -4.215455      3.985936
  H      -2.550146     -2.607916      4.116903
  H      -3.201121     -0.845128      7.902801
  H      -3.822008     -0.021863      6.486802
  H      -4.218548      1.453104      9.110402
  H      -6.536076      1.276960      8.807039
  H      -6.153635     -3.072536      5.621946
  H     -10.371863     -1.408803      4.845213
  H     -11.577009      0.695272      5.476550
  H     -10.441065      2.411137      6.904420
  H      -8.138804      2.029899      7.730002
  N      -3.309440      2.178487      5.080412
  H      -4.249051      1.919340      4.685578
91
Coordinates from ORCA-job orca E -6200.103324519752
  N      -2.658026      4.216347      6.998844
  Mo     -2.052199      2.496443      6.207501
  N      -2.323137      1.032070      7.492288
  C      -1.446681      0.863519      8.650628
  C      -0.830320      2.202613      9.035986
  N      -0.405027      2.914828      7.811786
  C      -0.402407      4.386259      7.953946
  C      -1.831812      4.896762      7.991785
  C       0.861108      2.389345      7.258512
  C       0.919452      2.662267      5.765152
  N      -0.378354      2.394927      5.157110
  H      -1.822083      5.989713      7.812975
  H      -2.269780      4.760478      9.001548
  H       0.110381      4.796353      7.074690
  H       0.156680      4.705498      8.851591
  H       1.692739      2.015165      5.320089
  H       1.234627      3.704203      5.563900
  H       0.857931      1.301873      7.415499
  H       1.730322      2.812835      7.791994
  H      -2.016509      0.474664      9.511190
  H      -0.665746      0.111008      8.433069
  H      -1.596967      2.816552      9.523881
  H       0.011848      2.081229      9.738530
  C      -4.024320      4.781362      6.993279
  C      -5.030536      3.924395      6.315590
  C      -5.943769      4.306500      5.397026
  C      -6.743302      3.320220      4.697430
  N      -6.159710      2.126803      4.485757
  C      -6.872306      1.194292      3.823131
  N      -8.086878      1.303416      3.317133
  C      -8.711110      2.496598      3.524179
  C     -10.028792      2.669612      3.049844
  C     -10.701033      3.861312      3.273537
  C     -10.078974      4.905830      3.987600
  C      -8.788004      4.755415      4.464698
  C      -8.072233      3.562697      4.232369
  C      -0.318427      1.937045      3.754657
  C      -0.208885      0.453961      3.763711
  C      -1.142354     -0.449386      3.371291
  C      -2.393879     -0.212896      2.676566
  N      -2.544144      0.918613      1.971562
  C      -3.691260      1.077461      1.291834
  N      -4.705735      0.234664      1.181758
  C      -4.594665     -0.921209      1.903390
  C      -5.660048     -1.854787      1.864932
  C      -5.595659     -3.019063      2.603324
  C      -4.468179     -3.285103      3.410086
  C      -3.415881     -2.385713      3.471564
  C      -3.444281     -1.193556      2.708631
  C      -3.501078      0.152385      7.508667
  C      -4.591172      0.773356      8.341012
  C      -5.926774      0.678792      8.175389
  C      -6.623647     -0.179166      7.223247
  N      -5.987893     -1.298904      6.798804
  C      -6.671642     -2.135449      5.981135
  N      -7.922030     -2.017088      5.562528
  C      -8.587553     -0.875330      5.959236
  C      -9.912129     -0.663762      5.510105
  C     -10.586969      0.492119      5.853665
  C      -9.964590      1.475207      6.656408
  C      -8.677836      1.299389      7.114569
  C      -7.962877      0.116025      6.792722
  H      -4.006619      5.792951      6.551370
  H      -4.325108      4.909687      8.053735
  H      -5.031259      2.875417      6.615426
  H      -6.076041      5.348567      5.136895
  H      -6.370425      0.222514      3.688487
  H     -10.493615      1.838941      2.517290
  H     -11.720790      3.992156      2.906054
  H     -10.623073      5.839241      4.165864
  H      -8.318427      5.560847      5.029681
  H       0.547934      2.396988      3.261975
  H      -1.225106      2.242348      3.217405
  H       0.697010      0.052918      4.259221
  H      -0.931218     -1.497475      3.605305
  H      -3.781694      2.019378      0.744777
  H      -6.530289     -1.612204      1.252996
  H      -6.427930     -3.727129      2.581137
  H      -4.432394     -4.199501      4.003782
  H      -2.564801     -2.596115      4.123110
  H      -3.226724     -0.845166      7.901755
  H      -3.851660     -0.015270      6.482985
  H      -4.236396      1.453722      9.120891
  H      -6.556929      1.299354      8.816019
  H      -6.121558     -2.986757      5.630944
  H     -10.358088     -1.429294      4.868182
  H     -11.597410      0.656617      5.486143
  H     -10.497454      2.380164      6.899755
  H      -8.201829      2.077162      7.710297
  N      -3.360549      2.206644      5.087552
  H      -4.308912      1.964240      4.697674
91
Coordinates from ORCA-job orca E -6200.102401683643
  N      -2.662829      4.224585      6.996341
  Mo     -2.059145      2.495324      6.215337
  N      -2.328221      1.032245      7.503039
  C      -1.452146      0.869642      8.661036
  C      -0.838931      2.210314      9.043357
  N      -0.413648      2.914236      7.816842
  C      -0.408132      4.385159      7.951992
  C      -1.836515      4.903842      7.985010
  C       0.851132      2.382875      7.266868
  C       0.910995      2.657237      5.772533
  N      -0.385978      2.391117      5.164685
  H      -1.820925      5.994108      7.798935
  H      -2.278850      4.775671      8.995504
  H       0.108463      4.787056      7.069104
  H       0.151254      4.706552      8.850561
  H       1.685140      2.008302      5.327664
  H       1.228231      3.698894      5.568626
  H       0.844009      1.295254      7.426159
  H       1.723083      2.803723      7.802128
  H      -2.023090      0.485270      9.523684
  H      -0.667968      0.116362      8.447391
  H      -1.607872      2.827381      9.528939
  H       0.004893      2.091380      9.748210
  C      -4.024080      4.796806      6.977866
  C      -5.026742      3.931287      6.307567
  C      -5.934433      4.305711      5.383171
  C      -6.737045      3.304380      4.699958
  N      -6.159075      2.108050      4.495220
  C      -6.874590      1.184687      3.832108
  N      -8.084986      1.299798      3.323136
  C      -8.703189      2.492937      3.527513
  C     -10.016641      2.669571      3.053426
  C     -10.682194      3.849436      3.279661
  C     -10.057367      4.898901      3.987116
  C      -8.769724      4.756004      4.458650
  C      -8.061776      3.555509      4.233447
  C      -0.323362      1.945630      3.757839
  C      -0.194035      0.441369      3.749578
  C      -1.117455     -0.469410      3.345522
  C      -2.379376     -0.224540      2.651705
  N      -2.537596      0.917399      1.948702
  C      -3.698215      1.088394      1.277262
  N      -4.715116      0.248136      1.168560
  C      -4.601547     -0.916616      1.886668
  C      -5.660146     -1.849556      1.838471
  C      -5.592878     -3.022379      2.570948
  C      -4.477633     -3.293212      3.387312
  C      -3.431807     -2.395600      3.457895
  C      -3.448934     -1.199852      2.691430
  C      -3.504277      0.152691      7.522993
  C      -4.594617      0.767809      8.361631
  C      -5.934249      0.668407      8.201406
  C      -6.629213     -0.181614      7.248402
  N      -5.990689     -1.263768      6.814812
  C      -6.669156     -2.086068      5.993153
  N      -7.912181     -1.988075      5.575189
  C      -8.582235     -0.872878      5.977393
  C      -9.903037     -0.659092      5.519494
  C     -10.584330      0.482989      5.865224
  C      -9.972913      1.455527      6.676018
  C      -8.689019      1.267734      7.147118
  C      -7.966865      0.097071      6.822401
  H      -4.002360      5.805730      6.522726
  H      -4.328200      4.937842      8.038283
  H      -5.031040      2.881534      6.618487
  H      -6.051526      5.371119      5.094636
  H      -6.376376      0.214686      3.696355
  H     -10.483603      1.839100      2.521414
  H     -11.701068      3.973615      2.917487
  H     -10.597748      5.822108      4.169520
  H      -8.298599      5.562408      5.021258
  H       0.545886      2.429711      3.260086
  H      -1.224704      2.257221      3.225628
  H       0.685460      0.054124      4.255386
  H      -0.904612     -1.519039      3.573837
  H      -3.793791      2.037936      0.733419
  H      -6.522531     -1.602586      1.220547
  H      -6.414557     -3.730955      2.537492
  H      -4.443197     -4.212584      3.977699
  H      -2.588366     -2.610247      4.115516
  H      -3.226830     -0.845721      7.913878
  H      -3.857532     -0.012831      6.495708
  H      -4.239011      1.446650      9.141515
  H      -6.564701      1.280545      8.846128
  H      -6.105867     -3.001582      5.658747
  H     -10.341364     -1.400089      4.863185
  H     -11.594423      0.667263      5.483021
  H     -10.515060      2.395244      6.903699
  H      -8.220623      2.056362      7.742385
  N      -3.367079      2.195979      5.081669
  H      -4.312674      1.958307      4.681939
91
Coordinates from ORCA-job orca E -6200.104725284528
  N      -2.666938      4.217330      6.996793
  Mo     -2.057383      2.490863      6.215675
  N      -2.320198      1.025783      7.502003
  C      -1.442739      0.865221      8.660188
  C      -0.833048      2.207703      9.042992
  N      -0.412066      2.915120      7.817298
  C      -0.411536      4.386334      7.952657
  C      -1.842229      4.899408      7.987145
  C       0.854669      2.387166      7.266903
  C       0.913469      2.659848      5.772083
  N      -0.385105      2.392220      5.163734
  H      -1.830580      5.990864      7.803892
  H      -2.282967      4.767642      8.997445
  H       0.102380      4.792038      7.070523
  H       0.147233      4.709215      8.850734
  H       1.688234      2.010872      5.327937
  H       1.231523      3.702445      5.567781
  H       0.849739      1.300331      7.427057
  H       1.725510      2.810112      7.800522
  H      -2.011473      0.477954      9.522977
  H      -0.657214      0.114758      8.445310
  H      -1.602368      2.821099      9.530950
  H       0.011781      2.091071      9.745669
  C      -4.029961      4.786412      6.981269
  C      -5.037816      3.925199      6.310552
  C      -5.947450      4.300913      5.384369
  C      -6.754879      3.308364      4.686119
  N      -6.183118      2.094930      4.468110
  C      -6.906411      1.160470      3.807227
  N      -8.121972      1.293006      3.301752
  C      -8.735870      2.511520      3.510363
  C     -10.055580      2.711154      3.037556
  C     -10.715675      3.904357      3.273538
  C     -10.081520      4.939940      3.989705
  C      -8.789044      4.778359      4.459152
  C      -8.084270      3.570719      4.221912
  C      -0.326279      1.943290      3.759472
  C      -0.199435      0.444028      3.753055
  C      -1.124321     -0.463737      3.354609
  C      -2.384389     -0.221237      2.666523
  N      -2.550948      0.918900      1.966638
  C      -3.709897      1.080416      1.294802
  N      -4.716793      0.232964      1.186631
  C      -4.592897     -0.928155      1.903911
  C      -5.653713     -1.864074      1.869272
  C      -5.580991     -3.031330      2.606040
  C      -4.450159     -3.295812      3.409264
  C      -3.402758     -2.395218      3.466210
  C      -3.435222     -1.202383      2.702959
  C      -3.491276      0.140640      7.521494
  C      -4.581240      0.758438      8.354022
  C      -5.916797      0.657961      8.188937
  C      -6.610100     -0.203189      7.238218
  N      -5.977395     -1.301787      6.812169
  C      -6.662325     -2.120503      5.988624
  N      -7.909858     -1.999175      5.561817
  C      -8.571839     -0.877014      5.961362
  C      -9.893725     -0.661549      5.505624
  C     -10.566195      0.496671      5.847121
  C      -9.943989      1.477266      6.654156
  C      -8.657773      1.281396      7.124640
  C      -7.946461      0.095115      6.803820
  H      -4.008495      5.795501      6.528813
  H      -4.331513      4.925238      8.041883
  H      -5.042412      2.878338      6.621186
  H      -6.067732      5.355661      5.106521
  H      -6.412619      0.205115      3.654689
  H     -10.530937      1.888927      2.501652
  H     -11.736763      4.043701      2.913262
  H     -10.616282      5.869733      4.178894
  H      -8.311069      5.576763      5.027147
  H       0.540416      2.422823      3.262994
  H      -1.226882      2.251211      3.228565
  H       0.687344      0.053907      4.253870
  H      -0.914293     -1.509295      3.585403
  H      -3.811129      2.027917      0.752495
  H      -6.530228     -1.621349      1.263935
  H      -6.411037     -3.741132      2.588130
  H      -4.411887     -4.210549      4.003287
  H      -2.555169     -2.602456      4.117761
  H      -3.212178     -0.854206      7.916611
  H      -3.842044     -0.028656      6.495945
  H      -4.225917      1.444264      9.132121
  H      -6.548650      1.280440      8.826535
  H      -6.110079     -2.998536      5.646184
  H     -10.340124     -1.420544      4.857003
  H     -11.575501      0.666578      5.474397
  H     -10.476097      2.393111      6.894836
  H      -8.180152      2.050232      7.726855
  N      -3.356841      2.191084      5.091963
  H      -4.305949      1.955470      4.697349
91
Coordinates from ORCA-job orca E -6200.103956879900
  N      -2.661032      4.214445      7.001585
  Mo     -2.053627      2.488681      6.217762
  N      -2.317846      1.024098      7.505490
  C      -1.440201      0.860922      8.663856
  C      -0.826617      2.202790      9.045154
  N      -0.405740      2.912241      7.818759
  C      -0.404142      4.383557      7.955452
  C      -1.834682      4.896028      7.991779
  C       0.860187      2.385248      7.263962
  C       0.916023      2.658448      5.769811
  N      -0.383307      2.394613      5.167621
  H      -1.824731      5.987390      7.809691
  H      -2.272216      4.762725      9.001532
  H       0.108587      4.790392      7.073469
  H       0.155453      4.705007      8.852778
  H       1.687495      2.008948      5.322667
  H       1.233063      3.698834      5.566140
  H       0.856126      1.298968      7.421844
  H       1.730909      2.806693      7.795450
  H      -2.008805      0.474491      9.527112
  H      -0.657561      0.108240      8.449026
  H      -1.594227      2.816848      9.533716
  H       0.018228      2.084732      9.746643
  C      -4.023895      4.787938      6.982754
  C      -5.033543      3.922314      6.314006
  C      -5.941439      4.295035      5.386625
  C      -6.752245      3.298319      4.692224
  N      -6.185032      2.085555      4.480374
  C      -6.908892      1.164951      3.814356
  N      -8.122586      1.293017      3.307726
  C      -8.733117      2.496937      3.515115
  C     -10.050107      2.690461      3.037244
  C     -10.706706      3.898483      3.257548
  C     -10.070642      4.939946      3.969746
  C      -8.780798      4.767972      4.451620
  C      -8.079873      3.556541      4.224153
  C      -0.338441      1.954937      3.755653
  C      -0.214166      0.472422      3.749437
  C      -1.142862     -0.432569      3.357636
  C      -2.403169     -0.199725      2.677249
  N      -2.569416      0.936702      1.980626
  C      -3.730568      1.087534      1.312336
  N      -4.740064      0.234273      1.208610
  C      -4.609141     -0.925508      1.922460
  C      -5.659224     -1.872853      1.884756
  C      -5.569828     -3.043471      2.611905
  C      -4.432265     -3.301327      3.407610
  C      -3.394663     -2.388921      3.468139
  C      -3.445333     -1.191647      2.714172
  C      -3.493784      0.144078      7.523433
  C      -4.584562      0.764144      8.346833
  C      -5.916017      0.668401      8.173908
  C      -6.611262     -0.192052      7.219834
  N      -5.982767     -1.309087      6.790479
  C      -6.673914     -2.144243      5.971200
  N      -7.923443     -2.020324      5.552432
  C      -8.580425     -0.879785      5.954192
  C      -9.905212     -0.651594      5.501882
  C     -10.571475      0.502412      5.852160
  C      -9.939956      1.471853      6.662276
  C      -8.652200      1.278275      7.123456
  C      -7.947555      0.098682      6.794126
  H      -3.998857      5.796559      6.524586
  H      -4.327860      4.933574      8.044172
  H      -5.043325      2.874473      6.629195
  H      -6.061686      5.341303      5.110713
  H      -6.421833      0.174804      3.688281
  H     -10.525909      1.869077      2.502343
  H     -11.724586      4.045478      2.887088
  H     -10.601851      5.887466      4.143285
  H      -8.299921      5.571622      5.015631
  H       0.516024      2.424711      3.252140
  H      -1.255484      2.264830      3.233339
  H       0.698023      0.073442      4.235177
  H      -0.924642     -1.477726      3.583120
  H      -3.834440      2.030704      0.768668
  H      -6.535340     -1.637285      1.281381
  H      -6.385839     -3.764160      2.587146
  H      -4.375460     -4.221484      3.990597
  H      -2.535894     -2.592993      4.111036
  H      -3.220504     -0.847888      7.921875
  H      -3.840425     -0.028611      6.501602
  H      -4.234102      1.445675      9.128005
  H      -6.548073      1.289641      8.811662
  H      -6.129782     -3.025707      5.625808
  H     -10.356955     -1.393555      4.848735
  H     -11.583079      0.690748      5.478190
  H     -10.467749      2.413720      6.896740
  H      -8.167797      2.061166      7.718538
  N      -3.355154      2.188352      5.103525
  H      -4.314119      1.961598      4.717399
91
Coordinates from ORCA-job orca E -6200.105153482760
  N      -2.668363      4.207625      7.009692
  Mo     -2.064225      2.484233      6.223183
  N      -2.320254      1.018356      7.509641
  C      -1.437447      0.855879      8.662677
  C      -0.823988      2.197625      9.043285
  N      -0.410715      2.909859      7.816784
  C      -0.411045      4.380865      7.956961
  C      -1.841387      4.889908      7.997816
  C       0.852425      2.387081      7.254881
  C       0.901662      2.664309      5.762512
  N      -0.396970      2.397569      5.161621
  H      -1.834487      5.981187      7.816177
  H      -2.276957      4.755639      9.008608
  H       0.098475      4.790220      7.074981
  H       0.150237      4.702327      8.853080
  H       1.672507      2.019178      5.310295
  H       1.214166      3.706219      5.562438
  H       0.851315      1.299704      7.408707
  H       1.724043      2.809689      7.784485
  H      -2.001698      0.467591      9.526702
  H      -0.654995      0.105154      8.443009
  H      -1.589408      2.809332      9.537460
  H       0.024531      2.079467      9.739581
  C      -4.030047      4.783761      6.994493
  C      -5.039382      3.925954      6.322349
  C      -5.940308      4.304120      5.388746
  C      -6.738507      3.310003      4.692144
  N      -6.156560      2.104791      4.492433
  C      -6.866830      1.171689      3.830087
  N      -8.077801      1.288513      3.314332
  C      -8.701137      2.489532      3.509591
  C     -10.015774      2.666771      3.026146
  C     -10.685983      3.860240      3.240714
  C     -10.065523      4.909338      3.950796
  C      -8.777441      4.761482      4.433872
  C      -8.063804      3.559127      4.214851
  C      -0.339988      1.955288      3.753859
  C      -0.207847      0.460947      3.741971
  C      -1.130861     -0.448973      3.342272
  C      -2.390172     -0.211189      2.655862
  N      -2.549861      0.925305      1.955688
  C      -3.707701      1.086404      1.284809
  N      -4.720797      0.241428      1.178006
  C      -4.602779     -0.917207      1.896518
  C      -5.664329     -1.852003      1.860110
  C      -5.594726     -3.018176      2.595937
  C      -4.468852     -3.283572      3.400667
  C      -3.419126     -2.383972      3.459285
  C      -3.447075     -1.191442      2.695297
  C      -3.494819      0.136226      7.533582
  C      -4.584297      0.759408      8.364234
  C      -5.920126      0.669142      8.195319
  C      -6.617471     -0.182731      7.240098
  N      -5.986356     -1.290795      6.810905
  C      -6.673129     -2.118431      5.989888
  N      -7.921707     -2.003563      5.573118
  C      -8.582813     -0.869665      5.974090
  C      -9.906571     -0.651956      5.524006
  C     -10.577108      0.505050      5.868576
  C      -9.951136      1.483898      6.672738
  C      -8.664592      1.296632      7.134341
  C      -7.954635      0.112513      6.811031
  H      -4.003256      5.792841      6.542065
  H      -4.332235      4.924140      8.055034
  H      -5.053715      2.879649      6.637930
  H      -6.057178      5.356875      5.105364
  H      -6.364984      0.213346      3.694703
  H     -10.480233      1.832148      2.496280
  H     -11.703706      3.986559      2.870128
  H     -10.608322      5.835658      4.125893
  H      -8.309292      5.566976      4.998047
  H       0.521282      2.440692      3.254782
  H      -1.250670      2.258950      3.228303
  H       0.687714      0.071122      4.235754
  H      -0.913348     -1.497285      3.566423
  H      -3.805776      2.031744      0.741631
  H      -6.534352     -1.609589      1.251317
  H      -6.422188     -3.727576      2.574052
  H      -4.430816     -4.198919      3.992945
  H      -2.568898     -2.594142      4.108620
  H      -3.216988     -0.857618      7.932862
  H      -3.846248     -0.038136      6.509719
  H      -4.229182      1.437175      9.146353
  H      -6.550165      1.289779      8.836307
  H      -6.122892     -2.998086      5.644637
  H     -10.355388     -1.408153      4.877526
  H     -11.587825      0.680438      5.497710
  H     -10.481489      2.403566      6.911965
  H      -8.184980      2.076260      7.729683
  N      -3.375557      2.190193      5.112255
  H      -4.334634      1.970440      4.725940
91
Coordinates from ORCA-job orca E -6200.104213012381
  N      -2.666271      4.227769      6.998155
  Mo     -2.059892      2.494528      6.222331
  N      -2.315067      1.030182      7.512551
  C      -1.435931      0.875273      8.671740
  C      -0.830289      2.221365      9.052447
  N      -0.409449      2.921710      7.822811
  C      -0.406718      4.392951      7.951646
  C      -1.838539      4.909632      7.986891
  C       0.856589      2.385819      7.274939
  C       0.914407      2.655103      5.775833
  N      -0.390400      2.387661      5.173104
  H      -1.824104      6.000390      7.800596
  H      -2.279612      4.779911      8.999497
  H       0.106974      4.793152      7.065031
  H       0.154638      4.718005      8.849113
  H       1.690548      2.002318      5.333758
  H       1.235940      3.697606      5.562873
  H       0.845802      1.299315      7.441461
  H       1.733431      2.805215      7.807151
  H      -2.004811      0.490578      9.538264
  H      -0.645563      0.125354      8.459572
  H      -1.603295      2.836519      9.538616
  H       0.016531      2.108116      9.758048
  C      -4.027145      4.796075      6.979803
  C      -5.032778      3.931817      6.312695
  C      -5.941561      4.302187      5.385609
  C      -6.755683      3.305828      4.696500
  N      -6.192010      2.103247      4.474413
  C      -6.921977      1.166398      3.818044
  N      -8.137382      1.289455      3.319895
  C      -8.742405      2.506267      3.528737
  C     -10.060011      2.712692      3.055281
  C     -10.713562      3.901120      3.295304
  C     -10.073634      4.931370      4.013201
  C      -8.781703      4.765599      4.481492
  C      -8.084316      3.560167      4.241263
  C      -0.349659      1.946550      3.764196
  C      -0.220088      0.448616      3.755511
  C      -1.142191     -0.460732      3.354929
  C      -2.406861     -0.220633      2.670527
  N      -2.585885      0.925884      1.983022
  C      -3.744805      1.082180      1.312067
  N      -4.742667      0.225135      1.196048
  C      -4.608054     -0.942632      1.903529
  C      -5.661056     -1.889083      1.862653
  C      -5.573174     -3.063913      2.588026
  C      -4.434407     -3.326451      3.384527
  C      -3.398268     -2.414608      3.449916
  C      -3.447076     -1.213465      2.699052
  C      -3.484008      0.142988      7.531764
  C      -4.577454      0.759490      8.360583
  C      -5.915791      0.656141      8.190486
  C      -6.607168     -0.212461      7.241463
  N      -5.976927     -1.309544      6.823292
  C      -6.659536     -2.121364      5.995951
  N      -7.902565     -1.994591      5.557008
  C      -8.561978     -0.873053      5.946189
  C      -9.878122     -0.648127      5.472483
  C     -10.546762      0.514741      5.798818
  C      -9.926051      1.492457      6.606512
  C      -8.645573      1.283992      7.096414
  C      -7.938505      0.092356      6.791864
  H      -4.007330      5.801904      6.522814
  H      -4.327066      4.938758      8.038417
  H      -5.040319      2.886853      6.627707
  H      -6.060680      5.350466      5.108368
  H      -6.437010      0.189860      3.677923
  H     -10.538175      1.903514      2.512157
  H     -11.733964      4.051532      2.931768
  H     -10.603294      5.876210      4.197264
  H      -8.298010      5.569347      5.046928
  H       0.509354      2.423965      3.259359
  H      -1.254758      2.258865      3.241260
  H       0.668929      0.059519      4.255262
  H      -0.926706     -1.506413      3.580865
  H      -3.854110      2.033097      0.776445
  H      -6.543099     -1.648164      1.261657
  H      -6.397219     -3.782473      2.565457
  H      -4.379413     -4.249573      3.965075
  H      -2.545558     -2.619635      4.097535
  H      -3.202836     -0.851357      7.929219
  H      -3.832898     -0.029000      6.504791
  H      -4.222893      1.450322      9.136889
  H      -6.549796      1.284107      8.820110
  H      -6.108340     -3.007756      5.661753
  H     -10.323104     -1.403943      4.822073
  H     -11.552401      0.690016      5.414601
  H     -10.454679      2.412122      6.834222
  H      -8.169110      2.048768      7.699827
  N      -3.352083      2.178125      5.084979
  H      -4.305424      1.952354      4.681346
91
Coordinates from ORCA-job orca E -6200.105385762762
  N      -2.668522      4.210733      7.010751
  Mo     -2.066510      2.482630      6.229584
  N      -2.318551      1.018728      7.519833
  C      -1.434355      0.859988      8.673027
  C      -0.821625      2.202774      9.049746
  N      -0.409966      2.910635      7.820657
  C      -0.408886      4.381521      7.956274
  C      -1.839414      4.893090      7.997440
  C       0.852009      2.382692      7.259657
  C       0.900479      2.658727      5.765395
  N      -0.402711      2.394564      5.165436
  H      -1.830227      5.984435      7.814022
  H      -2.274959      4.760527      9.009271
  H       0.100172      4.787914      7.071926
  H       0.153883      4.704460      8.851394
  H       1.671325      2.010157      5.314314
  H       1.217951      3.701442      5.561380
  H       0.846864      1.295388      7.416848
  H       1.727193      2.802942      7.787891
  H      -1.998094      0.474332      9.539719
  H      -0.650591      0.108802      8.455149
  H      -1.586895      2.815925      9.543736
  H       0.028487      2.086279      9.745717
  C      -4.027935      4.790166      6.992128
  C      -5.039954      3.931983      6.323926
  C      -5.938618      4.307248      5.387106
  C      -6.740832      3.312038      4.691263
  N      -6.163582      2.102252      4.487547
  C      -6.878645      1.165583      3.828308
  N      -8.091070      1.288020      3.315211
  C      -8.709953      2.499457      3.510187
  C     -10.026104      2.685344      3.028760
  C     -10.691642      3.880230      3.247399
  C     -10.066096      4.925932      3.957509
  C      -8.776811      4.771302      4.438275
  C      -8.067089      3.565696      4.216283
  C      -0.355749      1.956325      3.756091
  C      -0.221714      0.462155      3.740576
  C      -1.143707     -0.447698      3.339806
  C      -2.406174     -0.209969      2.656335
  N      -2.577665      0.931351      1.961677
  C      -3.736469      1.088498      1.291218
  N      -4.740266      0.236101      1.181092
  C      -4.610381     -0.926572      1.894751
  C      -5.666754     -1.867428      1.859516
  C      -5.585179     -3.037110      2.591468
  C      -4.449720     -3.300033      3.389552
  C      -3.407207     -2.394115      3.447967
  C      -3.449763     -1.197728      2.690326
  C      -3.491694      0.135540      7.546267
  C      -4.582603      0.761686      8.370436
  C      -5.917692      0.668461      8.196669
  C      -6.610210     -0.192085      7.244521
  N      -5.978322     -1.298674      6.823994
  C      -6.660931     -2.122945      6.000678
  N      -7.907001     -2.001221      5.571789
  C      -8.568638     -0.872674      5.966356
  C      -9.888702     -0.657144      5.507409
  C     -10.560138      0.499081      5.844231
  C      -9.938467      1.480728      6.648460
  C      -8.654554      1.287989      7.121608
  C      -7.944322      0.103025      6.806635
  H      -3.998064      5.797256      6.534642
  H      -4.329237      4.936475      8.052353
  H      -5.058689      2.887448      6.644865
  H      -6.051007      5.359036      5.099827
  H      -6.381155      0.201928      3.693271
  H     -10.495060      1.853860      2.498352
  H     -11.710267      4.012029      2.878712
  H     -10.605197      5.857373      4.133541
  H      -8.305158      5.574687      5.002834
  H       0.501434      2.440826      3.253758
  H      -1.266746      2.262997      3.235083
  H       0.677493      0.069760      4.231998
  H      -0.926807     -1.492962      3.562719
  H      -3.843071      2.037373      0.752638
  H      -6.546286     -1.626102      1.257643
  H      -6.410825     -3.750820      2.572497
  H      -4.402308     -4.218176      3.977849
  H      -2.554842     -2.600307      4.095402
  H      -3.214055     -0.854911      7.951437
  H      -3.841376     -0.043689      6.522978
  H      -4.228562      1.445741      9.149625
  H      -6.550098      1.294229      8.829493
  H      -6.108994     -3.005119      5.661722
  H     -10.334174     -1.412427      4.859089
  H     -11.568295      0.674854      5.465720
  H     -10.470249      2.411913      6.877767
  H      -8.177528      2.066228      7.718474
  N      -3.374802      2.182522      5.116970
  H      -4.336649      1.970452      4.727803
91
Coordinates from ORCA-job orca E -6200.104947594846
  N      -2.670598      4.208837      7.012078
  Mo     -2.067681      2.481082      6.230775
  N      -2.314313      1.017183      7.519878
  C      -1.425664      0.856501      8.668622
  C      -0.813310      2.200612      9.046520
  N      -0.407865      2.914405      7.818432
  C      -0.410889      4.385252      7.957846
  C      -1.842712      4.892010      8.000980
  C       0.854616      2.396311      7.249827
  C       0.895336      2.670630      5.756664
  N      -0.402669      2.394612      5.168208
  H      -1.836860      5.983553      7.819569
  H      -2.277374      4.756051      9.012901
  H       0.095977      4.794853      7.074028
  H       0.152195      4.708263      8.852812
  H       1.666512      2.029311      5.301016
  H       1.199035      3.710923      5.551955
  H       0.858564      1.310322      7.404538
  H       1.726792      2.822625      7.773496
  H      -1.984493      0.466662      9.535602
  H      -0.642769      0.107762      8.444833
  H      -1.577810      2.810101      9.545067
  H       0.039082      2.084420      9.738565
  C      -4.031551      4.787128      6.993914
  C      -5.040856      3.925266      6.326235
  C      -5.937611      4.298012      5.386509
  C      -6.741294      3.301825      4.691392
  N      -6.169781      2.089190      4.492606
  C      -6.887097      1.163727      3.829063
  N      -8.097414      1.286793      3.314821
  C      -8.710982      2.488676      3.509936
  C     -10.024006      2.676848      3.024146
  C     -10.684385      3.876829      3.236037
  C     -10.055276      4.923500      3.944035
  C      -8.768215      4.766618      4.428701
  C      -8.064735      3.555766      4.213412
  C      -0.352181      1.957650      3.759601
  C      -0.214342      0.466787      3.742706
  C      -1.133563     -0.443249      3.341309
  C      -2.398900     -0.205061      2.661320
  N      -2.560496      0.932626      1.964789
  C      -3.729512      1.095157      1.302794
  N      -4.747278      0.250548      1.202323
  C      -4.625858     -0.909023      1.917369
  C      -5.684820     -1.844742      1.883309
  C      -5.611767     -3.012435      2.615500
  C      -4.486365     -3.278751      3.415289
  C      -3.436064     -2.379296      3.469756
  C      -3.463834     -1.185217      2.707429
  C      -3.484719      0.129055      7.542938
  C      -4.579458      0.745555      8.370084
  C      -5.913146      0.650890      8.195756
  C      -6.605732     -0.203562      7.238699
  N      -5.976634     -1.310522      6.813737
  C      -6.663694     -2.141350      5.991987
  N      -7.909726     -2.029104      5.570766
  C      -8.567552     -0.888565      5.963085
  C      -9.888726     -0.658547      5.500273
  C     -10.554428      0.510744      5.831381
  C      -9.926255      1.483760      6.636930
  C      -8.642801      1.288515      7.109724
  C      -7.938493      0.097031      6.798456
  H      -4.003633      5.793595      6.534235
  H      -4.333049      4.934580      8.054674
  H      -5.059302      2.881481      6.651112
  H      -6.047873      5.349828      5.096761
  H      -6.394976      0.191820      3.701292
  H     -10.494032      1.853035      2.491326
  H     -11.700371      4.014428      2.861787
  H     -10.589546      5.861058      4.113282
  H      -8.292131      5.577068      4.988573
  H       0.502811      2.446224      3.256451
  H      -1.265924      2.259451      3.241501
  H       0.680537      0.081388      4.234661
  H      -0.908324     -1.493274      3.559991
  H      -3.829096      2.040241      0.760331
  H      -6.551697     -1.603064      1.277352
  H      -6.432932     -3.723668      2.592282
  H      -4.444328     -4.196759      4.002749
  H      -2.582250     -2.591766      4.112245
  H      -3.203208     -0.863249      7.942567
  H      -3.832349     -0.047635      6.519128
  H      -4.230635      1.423585      9.153501
  H      -6.547725      1.269805      8.834183
  H      -6.117380     -3.023321      5.651413
  H     -10.338492     -1.414923      4.854738
  H     -11.562807      0.690681      5.453520
  H     -10.451520      2.396204      6.872367
  H      -8.161141      2.063202      7.706442
  N      -3.372273      2.174345      5.119813
  H      -4.335782      1.966240      4.730960
91
Coordinates from ORCA-job orca E -6200.105565200721
  N      -2.669772      4.206553      7.016388
  Mo     -2.069280      2.478632      6.235856
  N      -2.315160      1.016407      7.527683
  C      -1.427180      0.859449      8.678695
  C      -0.815149      2.203365      9.053205
  N      -0.408289      2.912396      7.822727
  C      -0.409987      4.383301      7.959375
  C      -1.841644      4.891485      8.001623
  C       0.852674      2.387678      7.256777
  C       0.895815      2.663130      5.762508
  N      -0.406843      2.392794      5.167765
  H      -1.835995      5.982013      7.816904
  H      -2.275776      4.758854      9.013538
  H       0.097754      4.791411      7.074868
  H       0.152670      4.707124      8.854395
  H       1.667543      2.018217      5.309089
  H       1.206985      3.706062      5.557683
  H       0.850435      1.300385      7.413564
  H       1.728527      2.810080      7.781738
  H      -1.987770      0.472596      9.546776
  H      -0.642536      0.109758      8.458242
  H      -1.580397      2.815376      9.549668
  H       0.037238      2.088346      9.747004
  C      -4.029608      4.786724      6.997315
  C      -5.039456      3.928002      6.328604
  C      -5.932754      4.300544      5.385233
  C      -6.727218      3.301683      4.686619
  N      -6.145233      2.095955      4.490407
  C      -6.851875      1.154389      3.830822
  N      -8.060565      1.266220      3.311572
  C      -8.683769      2.472080      3.498237
  C      -9.995424      2.653955      3.004577
  C     -10.665694      3.847365      3.211858
  C     -10.048916      4.895369      3.922525
  C      -8.763426      4.747440      4.413652
  C      -8.049463      3.544126      4.202746
  C      -0.360408      1.955490      3.758400
  C      -0.230081      0.462177      3.739253
  C      -1.151468     -0.443502      3.331496
  C      -2.410137     -0.198139      2.644247
  N      -2.569466      0.941194      1.947052
  C      -3.726904      1.107867      1.276398
  N      -4.739666      0.266695      1.168501
  C      -4.624671     -0.892881      1.886072
  C      -5.695462     -1.818785      1.857901
  C      -5.634670     -2.982311      2.598434
  C      -4.505390     -3.255666      3.396913
  C      -3.446044     -2.365429      3.446434
  C      -3.468362     -1.173689      2.681795
  C      -3.486555      0.130464      7.556218
  C      -4.578620      0.756928      8.377615
  C      -5.913070      0.662085      8.203988
  C      -6.606137     -0.200105      7.252131
  N      -5.975229     -1.308653      6.829411
  C      -6.659961     -2.134023      6.007418
  N      -7.907749     -2.016122      5.585480
  C      -8.568369     -0.884521      5.981370
  C      -9.890858     -0.665340      5.526798
  C     -10.560062      0.491912      5.864838
  C      -9.934299      1.473978      6.664954
  C      -8.648846      1.283048      7.132089
  C      -7.940846      0.095261      6.817157
  H      -3.999700      5.793083      6.539284
  H      -4.331011      4.933245      8.057506
  H      -5.060072      2.885485      6.654191
  H      -6.044865      5.349726      5.095898
  H      -6.349804      0.191180      3.703218
  H     -10.456386      1.826042      2.471229
  H     -11.680725      3.978839      2.831823
  H     -10.591219      5.830050      4.087361
  H      -8.297268      5.559511      4.974953
  H       0.497563      2.438643      3.254814
  H      -1.272569      2.263706      3.238573
  H       0.663997      0.068153      4.232456
  H      -0.931933     -1.496041      3.548913
  H      -3.823444      2.055628      0.735829
  H      -6.569652     -1.569754      1.255455
  H      -6.472463     -3.683277      2.586105
  H      -4.476307     -4.168592      3.993384
  H      -2.595167     -2.580900      4.091779
  H      -3.207424     -0.856640      7.964382
  H      -3.834751     -0.053836      6.534777
  H      -4.226264      1.441517      9.156584
  H      -6.545996      1.287018      8.838010
  H      -6.109208     -3.016870      5.667410
  H     -10.339566     -1.421598      4.882352
  H     -11.569602      0.666997      5.491229
  H     -10.463722      2.399860      6.896739
  H      -8.168778      2.063408      7.725385
  N      -3.375965      2.176063      5.125471
  H      -4.340697      1.974110      4.733857
91
Coordinates from ORCA-job orca E -6200.105183749306
  N      -2.674259      4.204027      7.020929
  Mo     -2.075022      2.473099      6.242649
  N      -2.312538      1.008064      7.533991
  C      -1.422717      0.852236      8.683075
  C      -0.811679      2.197159      9.057484
  N      -0.409196      2.906265      7.826216
  C      -0.410746      4.376691      7.962292
  C      -1.842835      4.885768      8.007782
  C       0.849808      2.378179      7.257990
  C       0.891093      2.657828      5.762651
  N      -0.418148      2.397096      5.166000
  H      -1.835424      5.977894      7.825831
  H      -2.276657      4.750074      9.021167
  H       0.095123      4.784222      7.075971
  H       0.154140      4.700523      8.856331
  H       1.660125      2.008241      5.307575
  H       1.211273      3.702079      5.557658
  H       0.843253      1.289812      7.413606
  H       1.729973      2.795832      7.783242
  H      -1.982773      0.466066      9.552789
  H      -0.637783      0.102777      8.462092
  H      -1.576114      2.807996      9.557005
  H       0.043584      2.082701      9.748508
  C      -4.031851      4.786465      7.002989
  C      -5.046818      3.928983      6.339364
  C      -5.936991      4.299134      5.393223
  C      -6.736846      3.301165      4.698209
  N      -6.158873      2.090476      4.505658
  C      -6.867253      1.154082      3.842408
  N      -8.074290      1.274613      3.316467
  C      -8.694092      2.488407      3.497581
  C     -10.004865      2.667587      3.003581
  C     -10.672180      3.865051      3.208836
  C     -10.052828      4.921032      3.917348
  C      -8.768651      4.767269      4.413053
  C      -8.057651      3.558418      4.205376
  C      -0.382997      1.972480      3.749766
  C      -0.239041      0.478134      3.722587
  C      -1.161541     -0.431467      3.319459
  C      -2.428592     -0.194344      2.641670
  N      -2.599349      0.946428      1.945829
  C      -3.761394      1.102101      1.279650
  N      -4.770591      0.249703      1.177437
  C      -4.637667     -0.913943      1.892236
  C      -5.688051     -1.858453      1.860288
  C      -5.591962     -3.031340      2.588992
  C      -4.448629     -3.293335      3.379946
  C      -3.416603     -2.382790      3.437721
  C      -3.471121     -1.184590      2.681428
  C      -3.484443      0.122990      7.564416
  C      -4.573254      0.752911      8.392278
  C      -5.909518      0.668693      8.214575
  C      -6.601912     -0.187521      7.260585
  N      -5.974136     -1.301352      6.852771
  C      -6.657613     -2.129315      6.033530
  N      -7.901735     -2.003460      5.597312
  C      -8.559274     -0.866443      5.977774
  C      -9.876736     -0.648578      5.511161
  C     -10.542461      0.518687      5.832237
  C      -9.916919      1.504467      6.628840
  C      -8.635700      1.304567      7.111768
  C      -7.932192      0.114251      6.811357
  H      -3.999848      5.790538      6.541965
  H      -4.328120      4.936653      8.062339
  H      -5.074690      2.889040      6.670874
  H      -6.040052      5.349526      5.095156
  H      -6.368525      0.190693      3.717229
  H     -10.470100      1.822200      2.476290
  H     -11.687355      3.987795      2.832924
  H     -10.593804      5.845940      4.087236
  H      -8.303432      5.566595      4.982150
  H       0.466238      2.466793      3.241402
  H      -1.300998      2.280042      3.239896
  H       0.664280      0.087722      4.208852
  H      -0.951511     -1.466725      3.539888
  H      -3.867635      2.049899      0.738979
  H      -6.572561     -1.617577      1.263405
  H      -6.409473     -3.748846      2.570951
  H      -4.389404     -4.213887      3.965251
  H      -2.556266     -2.587924      4.079008
  H      -3.203261     -0.871613      7.969686
  H      -3.838040     -0.055276      6.537848
  H      -4.216208      1.433838      9.172731
  H      -6.541638      1.298384      8.844399
  H      -6.108661     -3.012263      5.701986
  H     -10.325186     -1.411143      4.869891
  H     -11.549270      0.694645      5.449740
  H     -10.443483      2.438922      6.847410
  H      -8.155601      2.081148      7.704685
  N      -3.391767      2.163121      5.137645
  H      -4.365356      1.967920      4.749209
91
Coordinates from ORCA-job orca E -6200.105786857484
  N      -2.677726      4.198391      7.026031
  Mo     -2.079438      2.468822      6.246616
  N      -2.312495      1.005383      7.540017
  C      -1.418352      0.850437      8.685403
  C      -0.805414      2.195010      9.055982
  N      -0.409265      2.906587      7.823922
  C      -0.413542      4.377153      7.961116
  C      -1.845869      4.882291      8.010084
  C       0.848577      2.384707      7.248258
  C       0.881846      2.663537      5.755226
  N      -0.424440      2.397620      5.167338
  H      -1.842873      5.973755      7.827904
  H      -2.276162      4.746263      9.023518
  H       0.088636      4.786847      7.074600
  H       0.152615      4.701945      8.853323
  H       1.649316      2.018361      5.294776
  H       1.193093      3.706468      5.551035
  H       0.848993      1.297366      7.401640
  H       1.726574      2.806238      7.768145
  H      -1.973891      0.464143      9.556378
  H      -0.635415      0.101007      8.461680
  H      -1.566714      2.804861      9.559496
  H       0.052364      2.080190      9.742121
  C      -4.034426      4.786923      7.006665
  C      -5.050943      3.931585      6.341968
  C      -5.935744      4.304422      5.390499
  C      -6.733467      3.308609      4.691329
  N      -6.154745      2.096817      4.499585
  C      -6.862845      1.157978      3.837511
  N      -8.070152      1.277718      3.311295
  C      -8.690169      2.488316      3.492728
  C     -10.000281      2.670943      2.995154
  C     -10.667618      3.867056      3.199410
  C     -10.049020      4.917319      3.910569
  C      -8.765018      4.765138      4.407319
  C      -8.054027      3.558838      4.199850
  C      -0.385704      1.971642      3.754794
  C      -0.238994      0.478595      3.723448
  C      -1.154947     -0.434078      3.315363
  C      -2.419354     -0.196897      2.637661
  N      -2.591511      0.943679      1.944936
  C      -3.751827      1.098701      1.277662
  N      -4.757766      0.245738      1.171818
  C      -4.627395     -0.915287      1.887048
  C      -5.685536     -1.855233      1.860452
  C      -5.601760     -3.022426      2.596036
  C      -4.461350     -3.284818      3.387440
  C      -3.416830     -2.379883      3.436835
  C      -3.463064     -1.185211      2.676815
  C      -3.483226      0.118567      7.574854
  C      -4.575177      0.749461      8.395163
  C      -5.910331      0.663056      8.214735
  C      -6.602642     -0.192764      7.259291
  N      -5.974601     -1.303155      6.844225
  C      -6.658909     -2.128088      6.022006
  N      -7.904093     -2.007671      5.592553
  C      -8.561878     -0.873200      5.980358
  C      -9.881109     -0.653269      5.518701
  C     -10.547393      0.512321      5.846141
  C      -9.920767      1.494821      6.644598
  C      -8.638223      1.299106      7.120488
  C      -7.933868      0.107652      6.814915
  H      -3.997650      5.791767      6.544370
  H      -4.332342      4.939474      8.066807
  H      -5.083863      2.891678      6.677055
  H      -6.035377      5.354155      5.091639
  H      -6.363887      0.192115      3.714321
  H     -10.463606      1.837579      2.462474
  H     -11.681902      3.997453      2.817501
  H     -10.589321      5.852198      4.074144
  H      -8.298181      5.573786      4.972034
  H       0.462451      2.469902      3.251035
  H      -1.302706      2.273506      3.244355
  H       0.665935      0.088056      4.206812
  H      -0.928581     -1.482998      3.524514
  H      -3.858508      2.045983      0.738821
  H      -6.567217     -1.614460      1.263471
  H      -6.428510     -3.735063      2.584539
  H      -4.411482     -4.201424      3.977920
  H      -2.559262     -2.584923      4.078920
  H      -3.201186     -0.868625      7.987970
  H      -3.833218     -0.070021      6.552689
  H      -4.221553      1.430889      9.176322
  H      -6.543397      1.291033      8.844986
  H      -6.109884     -3.016655      5.688021
  H     -10.330126     -1.411554      4.875614
  H     -11.555421      0.689931      5.467094
  H     -10.447431      2.423920      6.869433
  H      -8.157770      2.077696      7.713395
  N      -3.395816      2.161467      5.147412
  H      -4.369763      1.974686      4.761073
91
Coordinates from ORCA-job orca E -6200.105657030538
  N      -2.671634      4.202559      7.028762
  Mo     -2.076752      2.469702      6.254176
  N      -2.306818      1.012693      7.553371
  C      -1.409245      0.861178      8.697835
  C      -0.797499      2.207880      9.064139
  N      -0.402461      2.915020      7.828796
  C      -0.407344      4.385915      7.962276
  C      -1.840527      4.890319      8.010923
  C       0.855264      2.392904      7.252847
  C       0.884439      2.665409      5.757204
  N      -0.420954      2.385187      5.177296
  H      -1.838184      5.980875      7.825104
  H      -2.270300      4.756954      9.025117
  H       0.094348      4.793726      7.074108
  H       0.159262      4.713102      8.853828
  H       1.656090      2.024738      5.297983
  H       1.186501      3.708728      5.546803
  H       0.857470      1.306464      7.412088
  H       1.735141      2.818715      7.768822
  H      -1.962168      0.475464      9.571932
  H      -0.623766      0.112637      8.473088
  H      -1.560157      2.819295      9.566282
  H       0.061200      2.096213      9.751503
  C      -4.030214      4.785518      7.008699
  C      -5.040582      3.924346      6.345767
  C      -5.924986      4.289802      5.391913
  C      -6.714648      3.289074      4.692066
  N      -6.133630      2.080084      4.511207
  C      -6.833564      1.133748      3.851140
  N      -8.036032      1.241634      3.318218
  C      -8.657821      2.451285      3.486117
  C      -9.961133      2.634471      2.971485
  C     -10.630268      3.834422      3.157730
  C     -10.020526      4.884540      3.868737
  C      -8.742407      4.737603      4.378884
  C      -8.029541      3.529433      4.188891
  C      -0.387907      1.958664      3.761229
  C      -0.256527      0.465771      3.732770
  C      -1.176873     -0.435595      3.316330
  C      -2.438485     -0.181895      2.629355
  N      -2.591482      0.960014      1.934702
  C      -3.757466      1.138042      1.269227
  N      -4.777239      0.303604      1.162616
  C      -4.666867     -0.858443      1.876843
  C      -5.742990     -1.775853      1.850275
  C      -5.689925     -2.939402      2.590626
  C      -4.565117     -3.221946      3.387734
  C      -3.497999     -2.341643      3.433681
  C      -3.509899     -1.149281      2.669104
  C      -3.476368      0.125004      7.591393
  C      -4.571740      0.756790      8.400797
  C      -5.904401      0.658799      8.218434
  C      -6.590337     -0.214290      7.269635
  N      -5.958232     -1.328647      6.862529
  C      -6.637942     -2.159088      6.043500
  N      -7.883441     -2.040269      5.611630
  C      -8.545144     -0.903678      5.991793
  C      -9.865054     -0.686602      5.528376
  C     -10.533723      0.469511      5.852218
  C      -9.910224      1.459815      6.642221
  C      -8.627679      1.273967      7.117109
  C      -7.920822      0.080431      6.821245
  H      -3.998923      5.787976      6.544086
  H      -4.328517      4.938997      8.068401
  H      -5.067199      2.886589      6.683204
  H      -6.029326      5.335636      5.093313
  H      -6.332067      0.170415      3.736554
  H     -10.416170      1.805698      2.436434
  H     -11.639146      3.965690      2.762144
  H     -10.561931      5.818297      4.019850
  H      -8.281822      5.551915      4.940113
  H       0.465072      2.442380      3.246768
  H      -1.307113      2.274534      3.251740
  H       0.630286      0.073496      4.228158
  H      -0.966433     -1.482716      3.531996
  H      -3.849497      2.087752      0.730368
  H      -6.613377     -1.519785      1.249779
  H      -6.530007     -3.633479      2.579248
  H      -4.541953     -4.135495      3.982615
  H      -2.648335     -2.564878      4.075571
  H      -3.195503     -0.853447      8.011579
  H      -3.822491     -0.073143      6.574090
  H      -4.223748      1.448464      9.176098
  H      -6.541668      1.289112      8.842135
  H      -6.086632     -3.035493      5.711813
  H     -10.311981     -1.447342      4.890476
  H     -11.542193      0.638932      5.474784
  H     -10.439213      2.391712      6.859283
  H      -8.149061      2.060924      7.703067
  N      -3.380169      2.153472      5.147289
  H      -4.349414      1.970320      4.750099
91
Coordinates from ORCA-job orca E -6200.106047640008
  N      -2.675317      4.197869      7.034337
  Mo     -2.081374      2.463986      6.262489
  N      -2.303767      1.007354      7.563539
  C      -1.402552      0.858509      8.705025
  C      -0.792481      2.206626      9.068862
  N      -0.402973      2.913933      7.832115
  C      -0.410012      4.384341      7.965315
  C      -1.844049      4.886910      8.014941
  C       0.852565      2.391204      7.252700
  C       0.878677      2.665647      5.756286
  N      -0.430677      2.388803      5.175200
  H      -1.843523      5.977230      7.828204
  H      -2.272916      4.753376      9.029564
  H       0.090424      4.792928      7.076392
  H       0.156805      4.712563      8.856496
  H       1.649708      2.023186      5.296286
  H       1.184502      3.710689      5.545208
  H       0.853138      1.303807      7.411504
  H       1.735425      2.815422      7.767461
  H      -1.952337      0.471807      9.580860
  H      -0.616125      0.111952      8.477738
  H      -1.554834      2.816639      9.573728
  H       0.069033      2.097035      9.753402
  C      -4.032745      4.783986      7.011281
  C      -5.044962      3.922410      6.351144
  C      -5.923086      4.284009      5.389115
  C      -6.707801      3.279091      4.688402
  N      -6.123398      2.068704      4.515453
  C      -6.816195      1.121443      3.853371
  N      -8.014444      1.227537      3.311311
  C      -8.639967      2.437970      3.469782
  C      -9.940043      2.614694      2.946736
  C     -10.613470      3.813393      3.124230
  C     -10.010946      4.871665      3.833322
  C      -8.736131      4.727849      4.353263
  C      -8.019248      3.518579      4.173367
  C      -0.402394      1.965121      3.761627
  C      -0.271083      0.472746      3.726867
  C      -1.189999     -0.427507      3.305170
  C      -2.449650     -0.169739      2.618606
  N      -2.601712      0.974697      1.926480
  C      -3.761346      1.154969      1.259126
  N      -4.780795      0.322897      1.151259
  C      -4.673069     -0.841017      1.864595
  C      -5.753841     -1.754106      1.841861
  C      -5.701268     -2.918650      2.581824
  C      -4.570289     -3.207626      3.372105
  C      -3.501249     -2.331129      3.415593
  C      -3.515701     -1.136669      2.654289
  C      -3.471137      0.116126      7.602032
  C      -4.565517      0.747908      8.417312
  C      -5.899388      0.655841      8.235236
  C      -6.587942     -0.210700      7.283732
  N      -5.960207     -1.326971      6.877539
  C      -6.644161     -2.161074      6.061935
  N      -7.889612     -2.044997      5.633949
  C      -8.547029     -0.903197      6.011586
  C      -9.867933     -0.684643      5.551022
  C     -10.533130      0.485702      5.869195
  C      -9.904315      1.475935      6.656241
  C      -8.620547      1.281421      7.131569
  C      -7.917976      0.086005      6.836087
  H      -3.998237      5.784778      6.542495
  H      -4.330136      4.942140      8.070714
  H      -5.077166      2.887377      6.696446
  H      -6.021734      5.331110      5.080945
  H      -6.311108      0.155838      3.746968
  H     -10.390125      1.778332      2.413697
  H     -11.619806      3.938522      2.722501
  H     -10.555662      5.806224      3.976772
  H      -8.281542      5.543579      4.915377
  H       0.449067      2.451478      3.250227
  H      -1.320137      2.279298      3.254514
  H       0.624241      0.072891      4.216550
  H      -0.973944     -1.481044      3.512051
  H      -3.852979      2.107297      0.723300
  H      -6.630481     -1.491923      1.247811
  H      -6.546963     -3.608220      2.575849
  H      -4.548622     -4.121253      3.967828
  H      -2.648299     -2.558830      4.053531
  H      -3.187215     -0.868045      8.020169
  H      -3.819532     -0.078632      6.580939
  H      -4.215706      1.432266      9.196160
  H      -6.536063      1.283783      8.862513
  H      -6.095608     -3.050869      5.735114
  H     -10.319391     -1.451176      4.918182
  H     -11.542440      0.659014      5.493123
  H     -10.429609      2.406215      6.873641
  H      -8.138002      2.064142      7.716792
  N      -3.392649      2.143831      5.164378
  H      -4.369637      1.969340      4.767713
91
Coordinates from ORCA-job orca E -6200.106100917566
  N      -2.690767      4.182094      7.051337
  Mo     -2.101086      2.447422      6.279509
  N      -2.299325      0.989582      7.582340
  C      -1.385952      0.844644      8.713460
  C      -0.773078      2.193775      9.068948
  N      -0.403733      2.906087      7.829008
  C      -0.416665      4.376921      7.962325
  C      -1.851719      4.871982      8.025773
  C       0.846035      2.391553      7.230044
  C       0.850918      2.669286      5.737454
  N      -0.462486      2.394205      5.173461
  H      -1.859286      5.962507      7.841444
  H      -2.270760      4.734561      9.042905
  H       0.071590      4.788307      7.069247
  H       0.157258      4.708698      8.846770
  H       1.613886      2.029500      5.263359
  H       1.149896      3.713420      5.527646
  H       0.855887      1.304548      7.382814
  H       1.730331      2.817975      7.732359
  H      -1.925154      0.459057      9.593973
  H      -0.603783      0.098541      8.479771
  H      -1.527142      2.800108      9.586490
  H       0.097671      2.084104      9.738595
  C      -4.044556      4.783301      7.034187
  C      -5.068849      3.931008      6.379029
  C      -5.933239      4.298561      5.405101
  C      -6.724836      3.303646      4.702295
  N      -6.145690      2.087897      4.532633
  C      -6.843383      1.144945      3.867235
  N      -8.041507      1.263731      3.317132
  C      -8.660703      2.477575      3.472099
  C      -9.959119      2.657365      2.945494
  C     -10.627159      3.853791      3.124743
  C     -10.019156      4.911775      3.836284
  C      -8.745472      4.760870      4.361641
  C      -8.034664      3.552459      4.181069
  C      -0.439546      1.982863      3.758496
  C      -0.280701      0.491310      3.707966
  C      -1.191629     -0.419540      3.285671
  C      -2.454205     -0.176605      2.609875
  N      -2.615559      0.962576      1.917065
  C      -3.770979      1.121145      1.248610
  N      -4.786480      0.275038      1.147707
  C      -4.667986     -0.883060      1.868333
  C      -5.738256     -1.811686      1.856453
  C      -5.662796     -2.973214      2.602130
  C      -4.514865     -3.244012      3.383353
  C      -3.461089     -2.349816      3.418878
  C      -3.502665     -1.158674      2.653149
  C      -3.463410      0.093593      7.634259
  C      -4.561902      0.733692      8.439098
  C      -5.895158      0.652460      8.241493
  C      -6.579529     -0.207328      7.284631
  N      -5.954357     -1.330294      6.895412
  C      -6.635320     -2.158914      6.075943
  N      -7.876893     -2.036540      5.631988
  C      -8.530999     -0.893336      5.994141
  C      -9.845322     -0.674668      5.517844
  C     -10.505743      0.496959      5.818088
  C      -9.876980      1.493885      6.598484
  C      -8.599711      1.301192      7.089044
  C      -7.902886      0.098464      6.816042
  H      -3.999160      5.782949      6.562220
  H      -4.334287      4.947482      8.094221
  H      -5.120627      2.899866      6.737454
  H      -6.012771      5.344206      5.088087
  H      -6.342943      0.180853      3.761111
  H     -10.413815      1.819067      2.409739
  H     -11.633066      3.981846      2.720117
  H     -10.559319      5.852669      3.977418
  H      -8.286792      5.575838      4.926490
  H       0.398586      2.497012      3.249523
  H      -1.364315      2.280433      3.263361
  H       0.629589      0.101021      4.184462
  H      -0.961745     -1.470429      3.478193
  H      -3.868521      2.066925      0.708420
  H      -6.624156     -1.563739      1.267694
  H      -6.499394     -3.675486      2.605266
  H      -4.469569     -4.157112      3.979658
  H      -2.596720     -2.559529      4.053277
  H      -3.172868     -0.882740      8.067160
  H      -3.810672     -0.118298      6.615084
  H      -4.213767      1.421080      9.218587
  H      -6.533786      1.289691      8.857857
  H      -6.088488     -3.055864      5.761199
  H     -10.295790     -1.442305      4.887221
  H     -11.511604      0.670709      5.431019
  H     -10.397945      2.432435      6.797805
  H      -8.117223      2.092678      7.667827
  N      -3.425332      2.118380      5.199474
  H      -4.408606      1.961023      4.809494
91
Coordinates from ORCA-job orca E -6200.106411034226
  N      -2.688532      4.174561      7.064718
  Mo     -2.103408      2.436448      6.298135
  N      -2.296155      0.984844      7.611401
  C      -1.377707      0.847178      8.739278
  C      -0.763445      2.197091      9.084107
  N      -0.399209      2.903333      7.838925
  C      -0.412981      4.373742      7.967371
  C      -1.848241      4.867762      8.033589
  C       0.846920      2.384896      7.235586
  C       0.844851      2.662421      5.742655
  N      -0.473517      2.391425      5.181734
  H      -1.857896      5.957113      7.845639
  H      -2.263969      4.733344      9.051715
  H       0.072257      4.782928      7.071401
  H       0.162943      4.708592      8.849376
  H       1.605353      2.021226      5.264632
  H       1.146038      3.707873      5.531368
  H       0.854700      1.297551      7.390035
  H       1.735787      2.809380      7.733946
  H      -1.913724      0.467016      9.624974
  H      -0.595261      0.099312      8.506856
  H      -1.515696      2.806539      9.602201
  H       0.110774      2.090561      9.751190
  C      -4.039137      4.782600      7.037636
  C      -5.064450      3.931258      6.384437
  C      -5.915943      4.293773      5.395971
  C      -6.699806      3.292583      4.694509
  N      -6.117010      2.077378      4.541646
  C      -6.805936      1.118392      3.884801
  N      -7.998379      1.222425      3.324971
  C      -8.620397      2.439267      3.458255
  C      -9.911964      2.614339      2.912743
  C     -10.582635      3.821276      3.064904
  C      -9.985663      4.880984      3.775146
  C      -8.718444      4.736323      4.318045
  C      -8.003767      3.528392      4.158724
  C      -0.467057      1.996466      3.756383
  C      -0.310210      0.503454      3.687936
  C      -1.219286     -0.404312      3.255432
  C      -2.483295     -0.155149      2.581796
  N      -2.649123      0.991607      1.899084
  C      -3.811185      1.159616      1.235849
  N      -4.823776      0.314621      1.127937
  C      -4.700535     -0.850599      1.837835
  C      -5.769550     -1.777056      1.819883
  C      -5.695146     -2.942860      2.558640
  C      -4.550443     -3.220730      3.338976
  C      -3.493974     -2.330769      3.377748
  C      -3.533926     -1.134806      2.619495
  C      -3.462510      0.093511      7.674658
  C      -4.560413      0.745509      8.468227
  C      -5.893295      0.665404      8.265105
  C      -6.576095     -0.202158      7.312781
  N      -5.951111     -1.328680      6.932174
  C      -6.629174     -2.167775      6.119205
  N      -7.868349     -2.053070      5.675007
  C      -8.523348     -0.903815      6.027999
  C      -9.837200     -0.686847      5.550075
  C     -10.499617      0.492736      5.840073
  C      -9.873138      1.491745      6.615188
  C      -8.596448      1.302512      7.106840
  C      -7.897802      0.097034      6.842262
  H      -3.986042      5.778988      6.558422
  H      -4.331734      4.955847      8.095470
  H      -5.127577      2.904005      6.755789
  H      -5.989040      5.334230      5.068231
  H      -6.302697      0.149421      3.798109
  H     -10.358515      1.771939      2.380267
  H     -11.583011      3.948476      2.643665
  H     -10.528662      5.819041      3.900838
  H      -8.267831      5.556110      4.879969
  H       0.364936      2.511039      3.241281
  H      -1.397614      2.305747      3.270940
  H       0.592522      0.110647      4.163348
  H      -0.991040     -1.457136      3.439266
  H      -3.913036      2.111613      0.704721
  H      -6.654075     -1.522797      1.233867
  H      -6.532425     -3.642207      2.559110
  H      -4.507295     -4.137117      3.930352
  H      -2.631360     -2.546566      4.010845
  H      -3.174153     -0.874063      8.122858
  H      -3.809322     -0.132876      6.660941
  H      -4.212666      1.435828      9.244829
  H      -6.532928      1.306170      8.874741
  H      -6.081429     -3.066304      5.811122
  H     -10.286223     -1.458906      4.925203
  H     -11.505161      0.667243      5.450473
  H     -10.395337      2.428954      6.809209
  H      -8.116380      2.095530      7.681483
  N      -3.437462      2.107870      5.232937
  H      -4.430658      1.971516      4.844067
91
Coordinates from ORCA-job orca E -6200.106501262218
  N      -2.685082      4.183339      7.068403
  Mo     -2.102307      2.438361      6.314207
  N      -2.280287      0.996274      7.638592
  C      -1.350710      0.865961      8.759091
  C      -0.741928      2.222142      9.096268
  N      -0.387294      2.923735      7.845899
  C      -0.406122      4.394032      7.969325
  C      -1.844771      4.882927      8.038178
  C       0.858310      2.408995      7.238281
  C       0.844921      2.673540      5.738676
  N      -0.474838      2.377440      5.194572
  H      -1.855583      5.974018      7.848188
  H      -2.260221      4.747042      9.060485
  H       0.075444      4.802336      7.069736
  H       0.171996      4.733899      8.849374
  H       1.612799      2.037768      5.263035
  H       1.131335      3.719981      5.511169
  H       0.873076      1.323556      7.404459
  H       1.750831      2.844010      7.727175
  H      -1.876477      0.483736      9.652552
  H      -0.563257      0.123043      8.519758
  H      -1.495792      2.830455      9.616585
  H       0.137111      2.123258      9.761027
  C      -4.038093      4.780446      7.037733
  C      -5.054923      3.916102      6.391537
  C      -5.905398      4.260269      5.398897
  C      -6.683289      3.250744      4.699015
  N      -6.105939      2.026907      4.567841
  C      -6.786378      1.073176      3.906485
  N      -7.968672      1.178011      3.329115
  C      -8.586552      2.399237      3.439495
  C      -9.866951      2.576797      2.870135
  C     -10.534251      3.786713      2.997789
  C      -9.944418      4.855724      3.701585
  C      -8.686998      4.715809      4.263761
  C      -7.976519      3.491413      4.136809
  C      -0.482982      1.975836      3.775050
  C      -0.350382      0.486232      3.715280
  C      -1.263337     -0.406914      3.270307
  C      -2.525842     -0.131412      2.586969
  N      -2.672926      1.025836      1.915791
  C      -3.839233      1.226071      1.253856
  N      -4.860374      0.399811      1.131950
  C      -4.757047     -0.775331      1.827284
  C      -5.849159     -1.675784      1.802996
  C      -5.810266     -2.844042      2.536918
  C      -4.681309     -3.153338      3.318419
  C      -3.596975     -2.292507      3.359298
  C      -3.600834     -1.090251      2.610389
  C      -3.438458      0.093102      7.701497
  C      -4.545917      0.735613      8.490783
  C      -5.877996      0.642814      8.283121
  C      -6.552781     -0.237461      7.332103
  N      -5.928164     -1.366657      6.963494
  C      -6.603416     -2.211424      6.152816
  N      -7.840523     -2.094390      5.699697
  C      -8.494357     -0.937873      6.037628
  C      -9.806379     -0.724681      5.553711
  C     -10.467277      0.457449      5.830221
  C      -9.841037      1.465655      6.595368
  C      -8.565852      1.273079      7.096577
  C      -7.870036      0.061857      6.848507
  H      -3.994329      5.770242      6.549974
  H      -4.328981      4.960069      8.093824
  H      -5.109185      2.895838      6.771029
  H      -5.976640      5.299737      5.061629
  H      -6.285969      0.102192      3.837312
  H     -10.307046      1.733915      2.339029
  H     -11.525793      3.908850      2.561184
  H     -10.484319      5.794056      3.808809
  H      -8.242645      5.540222      4.822201
  H       0.354340      2.466158      3.250834
  H      -1.410929      2.298260      3.291138
  H       0.547531      0.078829      4.199790
  H      -1.047424     -1.464690      3.455858
  H      -3.926193      2.187004      0.733239
  H      -6.724386     -1.396443      1.219409
  H      -6.667619     -3.520633      2.535715
  H      -4.667363     -4.072708      3.904438
  H      -2.747510     -2.534120      3.991392
  H      -3.143673     -0.873952      8.152853
  H      -3.780302     -0.138301      6.685648
  H      -4.207548      1.427834      9.267749
  H      -6.525790      1.280174      8.889188
  H      -6.057160     -3.112965      5.855971
  H     -10.255891     -1.506064      4.937657
  H     -11.471205      0.625156      5.438927
  H     -10.361616      2.410114      6.775558
  H      -8.085303      2.064960      7.666895
  N      -3.421390      2.081193      5.244087
  H      -4.411443      1.944543      4.834966
91
Coordinates from ORCA-job orca E -6200.106843252193
  N      -2.698288      4.165350      7.081230
  Mo     -2.116274      2.418278      6.332977
  N      -2.275008      0.979405      7.662410
  C      -1.336730      0.857427      8.775912
  C      -0.729699      2.216818      9.103138
  N      -0.389944      2.917262      7.848356
  C      -0.415840      4.388223      7.966625
  C      -1.855773      4.870868      8.041141
  C       0.850959      2.405968      7.229654
  C       0.824480      2.671848      5.732006
  N      -0.497865      2.375259      5.196432
  H      -1.874947      5.958807      7.845881
  H      -2.263896      4.739073      9.063732
  H       0.058152      4.795960      7.063241
  H       0.165008      4.734525      8.841871
  H       1.588440      2.037951      5.249003
  H       1.106645      3.718851      5.504833
  H       0.870095      1.320148      7.394193
  H       1.745553      2.842715      7.710513
  H      -1.853899      0.477229      9.673385
  H      -0.549760      0.116337      8.533756
  H      -1.479740      2.823799      9.629492
  H       0.155569      2.122004      9.758892
  C      -4.048778      4.775876      7.046720
  C      -5.072546      3.915883      6.404274
  C      -5.907057      4.260172      5.394805
  C      -6.678744      3.251815      4.689608
  N      -6.096576      2.031213      4.562236
  C      -6.769847      1.072072      3.899510
  N      -7.948706      1.172804      3.313968
  C      -8.569773      2.393944      3.416581
  C      -9.846110      2.566026      2.838225
  C     -10.517007      3.771827      2.959761
  C      -9.934828      4.843107      3.666064
  C      -8.681828      4.702319      4.240719
  C      -7.967573      3.485946      4.117904
  C      -0.507361      1.983766      3.776248
  C      -0.362157      0.492585      3.701965
  C      -1.273771     -0.398716      3.249716
  C      -2.533570     -0.120478      2.567231
  N      -2.673994      1.034622      1.891054
  C      -3.833488      1.234285      1.225641
  N      -4.862203      0.413070      1.110294
  C      -4.767221     -0.758147      1.814162
  C      -5.863556     -1.652393      1.799008
  C      -5.823304     -2.817719      2.539134
  C      -4.686240     -3.130929      3.314718
  C      -3.602946     -2.274344      3.349615
  C      -3.608882     -1.075357      2.595340
  C      -3.429078      0.071726      7.738067
  C      -4.537726      0.724027      8.515845
  C      -5.866876      0.640486      8.298738
  C      -6.542683     -0.237528      7.347163
  N      -5.922253     -1.372621      6.982485
  C      -6.600703     -2.215764      6.172208
  N      -7.837864     -2.095732      5.719577
  C      -8.487231     -0.938287      6.056293
  C      -9.799229     -0.718713      5.572260
  C     -10.455404      0.467205      5.846305
  C      -9.823768      1.473770      6.608389
  C      -8.548710      1.278361      7.108433
  C      -7.858350      0.065622      6.862393
  H      -3.993987      5.763908      6.551564
  H      -4.338347      4.965317      8.103485
  H      -5.142221      2.899927      6.799039
  H      -5.963728      5.300000      5.044929
  H      -6.265619      0.101114      3.835676
  H     -10.280421      1.721162      2.304524
  H     -11.504881      3.894004      2.512904
  H     -10.476521      5.791421      3.761748
  H      -8.243039      5.529655      4.800395
  H       0.326080      2.493506      3.249739
  H      -1.442273      2.300858      3.301442
  H       0.533803      0.089445      4.183866
  H      -1.062374     -1.452149      3.428165
  H      -3.915465      2.194454      0.701795
  H      -6.744710     -1.369019      1.220101
  H      -6.681943     -3.489284      2.545437
  H      -4.670873     -4.047905      3.905099
  H      -2.745155     -2.517698      3.976814
  H      -3.130421     -0.884375      8.204438
  H      -3.769126     -0.177012      6.726807
  H      -4.200896      1.418322      9.292359
  H      -6.513543      1.284925      8.898887
  H      -6.057844     -3.116638      5.875535
  H     -10.252811     -1.498887      4.958650
  H     -11.459828      0.639988      5.455292
  H     -10.340114      2.417222      6.787645
  H      -8.063574      2.074365      7.674308
  N      -3.441322      2.050947      5.275941
  H      -4.434015      1.924480      4.863647
91
Coordinates from ORCA-job orca E -6200.106717326585
  N      -2.709013      4.156531      7.104932
  Mo     -2.132714      2.408078      6.358405
  N      -2.268446      0.973368      7.696286
  C      -1.317037      0.860329      8.799521
  C      -0.709762      2.222385      9.114147
  N      -0.386438      2.920560      7.853413
  C      -0.418344      4.392062      7.965858
  C      -1.859540      4.868188      8.053014
  C       0.848639      2.411697      7.221117
  C       0.801719      2.675890      5.724721
  N      -0.528191      2.376908      5.203845
  H      -1.887666      5.954288      7.854193
  H      -2.255913      4.738160      9.078601
  H       0.043565      4.798156      7.055977
  H       0.169670      4.744948      8.833040
  H       1.560494      2.043427      5.232239
  H       1.078802      3.724623      5.493827
  H       0.873638      1.325538      7.386579
  H       1.747539      2.851351      7.689442
  H      -1.823131      0.483539      9.704268
  H      -0.531272      0.120427      8.552751
  H      -1.455138      2.828646      9.646933
  H       0.182880      2.131430      9.759640
  C      -4.057106      4.773955      7.073126
  C      -5.086118      3.920900      6.430809
  C      -5.907316      4.266611      5.410206
  C      -6.682400      3.265807      4.704391
  N      -6.106489      2.045359      4.584805
  C      -6.783153      1.081948      3.924122
  N      -7.959052      1.181602      3.332369
  C      -8.571955      2.405528      3.423995
  C      -9.842424      2.582587      2.833499
  C     -10.505844      3.800680      2.940493
  C      -9.921894      4.866396      3.652328
  C      -8.674086      4.717300      4.240073
  C      -7.966268      3.502715      4.123649
  C      -0.553683      1.997308      3.775195
  C      -0.400574      0.506460      3.688225
  C      -1.304815     -0.389768      3.229215
  C      -2.559885     -0.123349      2.548294
  N      -2.704694      1.030581      1.879334
  C      -3.854355      1.213200      1.207196
  N      -4.880475      0.380345      1.087133
  C      -4.782409     -0.789792      1.790693
  C      -5.867961     -1.699939      1.770395
  C      -5.814666     -2.866350      2.509392
  C      -4.672207     -3.166427      3.284696
  C      -3.600862     -2.293463      3.324581
  C      -3.622182     -1.093009      2.572032
  C      -3.416366      0.058000      7.783582
  C      -4.531635      0.716331      8.547660
  C      -5.858806      0.641420      8.312927
  C      -6.529272     -0.231735      7.356658
  N      -5.911301     -1.375367      7.008317
  C      -6.586045     -2.217112      6.196094
  N      -7.818265     -2.097090      5.731669
  C      -8.465055     -0.934132      6.052017
  C      -9.771162     -0.709723      5.551350
  C     -10.422753      0.477826      5.807831
  C      -9.790801      1.490450      6.562326
  C      -8.522378      1.299385      7.075062
  C      -7.837766      0.078085      6.852348
  H      -3.995847      5.758757      6.576360
  H      -4.342283      4.966324      8.127196
  H      -5.170549      2.910813      6.834579
  H      -5.953679      5.296792      5.059231
  H      -6.283976      0.115873      3.863265
  H     -10.279283      1.732622      2.300118
  H     -11.489969      3.927912      2.483593
  H     -10.459693      5.804651      3.748353
  H      -8.234696      5.538019      4.805424
  H       0.269847      2.515045      3.249167
  H      -1.490032      2.312376      3.308881
  H       0.500330      0.105728      4.165966
  H      -1.073478     -1.452968      3.391281
  H      -3.939887      2.171070      0.686276
  H      -6.749780     -1.427056      1.189962
  H      -6.664740     -3.550259      2.512981
  H      -4.642737     -4.086473      3.871410
  H      -2.735148     -2.525811      3.951233
  H      -3.110013     -0.888845      8.266220
  H      -3.753056     -0.209828      6.774540
  H      -4.199995      1.412751      9.325403
  H      -6.508532      1.293403      8.901367
  H      -6.045223     -3.128614      5.913186
  H     -10.223933     -1.490412      4.941358
  H     -11.423231      0.652256      5.405784
  H     -10.302357      2.439608      6.723510
  H      -8.036377      2.108541      7.630743
  N      -3.469783      2.030060      5.317871
  H      -4.467634      1.915566      4.905469
91
Coordinates from ORCA-job orca E -6200.107045229306
  N      -2.714091      4.140949      7.114287
  Mo     -2.134677      2.392848      6.369760
  N      -2.261743      0.959953      7.711306
  C      -1.304292      0.851306      8.809647
  C      -0.697778      2.214499      9.118709
  N      -0.384259      2.915649      7.856710
  C      -0.422707      4.385958      7.973523
  C      -1.865670      4.854126      8.065218
  C       0.849310      2.413501      7.215503
  C       0.794454      2.678018      5.720738
  N      -0.536517      2.379050      5.204256
  H      -1.897190      5.942314      7.869938
  H      -2.261196      4.718724      9.092241
  H       0.035328      4.796989      7.064169
  H       0.165849      4.739574      8.840012
  H       1.551200      2.047126      5.223034
  H       1.068482      3.726699      5.490322
  H       0.880392      1.327941      7.378310
  H       1.747620      2.856569      7.679421
  H      -1.805076      0.475188      9.717519
  H      -0.518850      0.112320      8.560209
  H      -1.440759      2.818431      9.656228
  H       0.198808      2.126154      9.758276
  C      -4.060366      4.765019      7.073086
  C      -5.090123      3.912341      6.430916
  C      -5.898842      4.252616      5.398079
  C      -6.670680      3.247726      4.692215
  N      -6.096974      2.018812      4.586799
  C      -6.770943      1.056725      3.926117
  N      -7.941987      1.164037      3.321032
  C      -8.552566      2.390993      3.398754
  C      -9.817478      2.569014      2.795638
  C     -10.477518      3.782806      2.889594
  C      -9.894688      4.858253      3.592410
  C      -8.652011      4.713997      4.190296
  C      -7.948747      3.488619      4.095494
  C      -0.567591      2.011308      3.773024
  C      -0.409554      0.522472      3.671749
  C      -1.314965     -0.372049      3.209460
  C      -2.579136     -0.101727      2.536013
  N      -2.729720      1.054586      1.869253
  C      -3.890123      1.241393      1.203646
  N      -4.910668      0.407233      1.082171
  C      -4.803903     -0.764386      1.782482
  C      -5.887071     -1.673085      1.763822
  C      -5.835636     -2.837074      2.506626
  C      -4.697210     -3.135826      3.284657
  C      -3.623393     -2.266636      3.319230
  C      -3.642388     -1.068756      2.562692
  C      -3.409513      0.045548      7.809079
  C      -4.523812      0.709786      8.568705
  C      -5.851649      0.635631      8.332781
  C      -6.522341     -0.237387      7.377419
  N      -5.904834     -1.378916      7.031243
  C      -6.577965     -2.220535      6.219522
  N      -7.809334     -2.095418      5.750284
  C      -8.456249     -0.932924      6.069211
  C      -9.761754     -0.717440      5.573379
  C     -10.414527      0.471936      5.829100
  C      -9.783634      1.488389      6.581071
  C      -8.515170      1.295458      7.094244
  C      -7.829834      0.074156      6.871641
  H      -3.991548      5.748161      6.570554
  H      -4.348888      4.964729      8.126348
  H      -5.184495      2.905882      6.846235
  H      -5.933828      5.283664      5.033457
  H      -6.274359      0.082014      3.879968
  H     -10.252431      1.720497      2.264405
  H     -11.457088      3.908581      2.423065
  H     -10.428185      5.807106      3.670375
  H      -8.212670      5.547488      4.746699
  H       0.248702      2.535693      3.247876
  H      -1.506191      2.327425      3.314950
  H       0.494087      0.120067      4.143506
  H      -1.088435     -1.428364      3.367881
  H      -3.979497      2.200221      0.684012
  H      -6.768809     -1.399869      1.184831
  H      -6.688049     -3.518002      2.515542
  H      -4.675534     -4.051686      3.878718
  H      -2.766198     -2.495861      3.951718
  H      -3.101490     -0.893904      8.302450
  H      -3.747075     -0.233572      6.804508
  H      -4.190344      1.407948      9.345322
  H      -6.500757      1.288761      8.919300
  H      -6.036024     -3.130613      5.937244
  H     -10.214045     -1.503470      4.965997
  H     -11.414702      0.642143      5.429537
  H     -10.296394      2.438815      6.742544
  H      -8.030954      2.095724      7.652862
  N      -3.482782      2.022694      5.348750
  H      -4.489624      1.929101      4.940644
91
Coordinates from ORCA-job orca E -6200.107336878099
  N      -2.743809      4.116277      7.129715
  Mo     -2.142213      2.353439      6.438337
  N      -2.209665      0.964203      7.828344
  C      -1.230290      0.910551      8.911732
  C      -0.648684      2.296497      9.165683
  N      -0.373821      2.960046      7.874998
  C      -0.441534      4.432164      7.943936
  C      -1.893501      4.874618      8.045665
  C       0.857448      2.459321      7.228109
  C       0.769923      2.669240      5.723663
  N      -0.564757      2.327570      5.245456
  H      -1.948017      5.955545      7.815654
  H      -2.270085      4.764804      9.083961
  H      -0.007342      4.822381      7.013098
  H       0.154434      4.825816      8.788292
  H       1.530862      2.036690      5.234047
  H       1.018194      3.714072      5.450047
  H       0.912472      1.380784      7.430908
  H       1.757334      2.936576      7.658298
  H      -1.706035      0.552852      9.841254
  H      -0.432255      0.181426      8.670675
  H      -1.395232      2.902696      9.697091
  H       0.261395      2.248431      9.791591
  C      -4.094789      4.727819      7.069794
  C      -5.113887      3.865911      6.423036
  C      -5.903443      4.195339      5.373911
  C      -6.663805      3.186307      4.660851
  N      -6.101795      1.949360      4.592788
  C      -6.764631      0.986038      3.926686
  N      -7.917039      1.093627      3.290276
  C      -8.517124      2.327964      3.332044
  C      -9.764622      2.508243      2.695248
  C     -10.411379      3.731911      2.746369
  C      -9.835551      4.814209      3.443330
  C      -8.612748      4.666637      4.078255
  C      -7.921126      3.430233      4.025103
  C      -0.624225      1.941846      3.823389
  C      -0.524606      0.449226      3.741063
  C      -1.454040     -0.402959      3.251805
  C      -2.672753     -0.065385      2.521770
  N      -2.726609      1.096995      1.848839
  C      -3.835947      1.343948      1.115166
  N      -4.885064      0.561911      0.928994
  C      -4.880579     -0.612452      1.633346
  C      -6.005353     -1.466055      1.541802
  C      -6.060877     -2.630223      2.282794
  C      -4.992837     -2.984625      3.133251
  C      -3.878628     -2.172033      3.237517
  C      -3.787237     -0.975059      2.484660
  C      -3.335588      0.027933      7.970411
  C      -4.461675      0.692329      8.711624
  C      -5.785847      0.601703      8.463760
  C      -6.438446     -0.288430      7.508352
  N      -5.814984     -1.433426      7.182936
  C      -6.472716     -2.283050      6.364454
  N      -7.692266     -2.157926      5.865919
  C      -8.343193     -0.989914      6.160932
  C      -9.632352     -0.767686      5.623515
  C     -10.283407      0.428834      5.849208
  C      -9.668203      1.445916      6.612402
  C      -8.417087      1.246244      7.166253
  C      -7.733562      0.019696      6.972461
  H      -4.027239      5.705050      6.557202
  H      -4.394377      4.937921      8.118180
  H      -5.209852      2.862351      6.842152
  H      -5.924821      5.224334      4.997517
  H      -6.277371      0.006563      3.910023
  H     -10.196191      1.654853      2.171424
  H     -11.375987      3.858757      2.252588
  H     -10.359275      5.771375      3.488705
  H      -8.181038      5.502554      4.632445
  H       0.204672      2.431074      3.279074
  H      -1.559223      2.284692      3.371345
  H       0.349234      0.011241      4.238080
  H      -1.282845     -1.468653      3.416038
  H      -3.844999      2.305854      0.590288
  H      -6.832599     -1.150296      0.905702
  H      -6.944513     -3.268254      2.233277
  H      -5.055831     -3.900400      3.723258
  H      -3.075943     -2.445731      3.921168
  H      -3.003856     -0.887547      8.495484
  H      -3.673207     -0.293844      6.977957
  H      -4.142401      1.408431      9.476417
  H      -6.447179      1.260130      9.031724
  H      -5.927322     -3.194503      6.100381
  H     -10.070819     -1.554435      5.007450
  H     -11.267763      0.604691      5.413801
  H     -10.176422      2.402704      6.747012
  H      -7.940416      2.049256      7.727871
  N      -3.487640      1.899557      5.450072
  H      -4.495453      1.757271      5.050063
91
Coordinates from ORCA-job orca E -6200.102884889678
  N      -2.731719      4.126357      7.151729
  Mo     -2.141159      2.351817      6.488941
  N      -2.188881      0.988737      7.905766
  C      -1.195558      0.954110      8.977686
  C      -0.610207      2.345216      9.197202
  N      -0.351800      2.979567      7.888639
  C      -0.416401      4.454242      7.924499
  C      -1.867669      4.904074      8.037727
  C       0.868907      2.457411      7.236316
  C       0.761926      2.632357      5.725649
  N      -0.583094      2.292690      5.276351
  H      -1.924132      5.978781      7.783015
  H      -2.227707      4.819219      9.083557
  H       0.004685      4.822254      6.978104
  H       0.192938      4.865208      8.750890
  H       1.511115      1.982976      5.239943
  H       1.014227      3.668811      5.423560
  H       0.921151      1.383141      7.466337
  H       1.778605      2.940743      7.641843
  H      -1.659268      0.614543      9.920305
  H      -0.400428      0.220233      8.740704
  H      -1.349794      2.963743      9.724898
  H       0.307749      2.308613      9.812890
  C      -4.088033      4.717849      7.083734
  C      -5.072629      3.803480      6.455225
  C      -5.825990      4.056144      5.360868
  C      -6.516266      2.987205      4.664455
  N      -5.925320      1.765006      4.711468
  C      -6.525063      0.741777      4.073315
  N      -7.641139      0.773810      3.371317
  C      -8.271207      1.992154      3.300588
  C      -9.489038      2.095804      2.593994
  C     -10.161992      3.307832      2.522549
  C      -9.647917      4.446499      3.172884
  C      -8.460224      4.369721      3.882273
  C      -7.739350      3.153924      3.947188
  C      -0.692156      1.905840      3.859357
  C      -0.703598      0.409812      3.773911
  C      -1.694816     -0.358228      3.265929
  C      -2.860683      0.096222      2.515940
  N      -2.790637      1.266184      1.857436
  C      -3.846672      1.618289      1.092277
  N      -4.954461      0.934723      0.861992
  C      -5.079685     -0.242189      1.551743
  C      -6.271196     -0.994910      1.406100
  C      -6.454136     -2.157437      2.128786
  C      -5.452580     -2.610539      3.015965
  C      -4.275485     -1.900404      3.169320
  C      -4.052361     -0.708738      2.434987
  C      -3.314077      0.055571      8.077323
  C      -4.439692      0.716959      8.819810
  C      -5.762041      0.608281      8.573177
  C      -6.399822     -0.295346      7.616694
  N      -5.762953     -1.434845      7.289410
  C      -6.403613     -2.285599      6.454651
  N      -7.614382     -2.165152      5.937771
  C      -8.277394     -1.002626      6.232577
  C      -9.553096     -0.771785      5.661039
  C     -10.210135      0.423026      5.878892
  C      -9.616446      1.430169      6.669443
  C      -8.380557      1.226688      7.254853
  C      -7.689349      0.004669      7.065539
  H      -4.041493      5.678889      6.539932
  H      -4.393636      4.953089      8.125195
  H      -5.147323      2.813660      6.909369
  H      -5.855192      5.062205      4.929130
  H      -6.016627     -0.222464      4.148068
  H      -9.876368      1.195670      2.114159
  H     -11.101337      3.377431      1.972546
  H     -10.193587      5.390587      3.125492
  H      -8.079967      5.245638      4.403841
  H       0.157446      2.340449      3.293247
  H      -1.614248      2.311810      3.426698
  H       0.126482     -0.098023      4.276787
  H      -1.616626     -1.438568      3.417761
  H      -3.751919      2.582646      0.578398
  H      -7.043116     -0.603675      0.740536
  H      -7.385073     -2.718042      2.034709
  H      -5.614281     -3.523471      3.591180
  H      -3.521511     -2.253488      3.874980
  H      -2.973137     -0.851363      8.613566
  H      -3.661344     -0.280208      7.094807
  H      -4.126494      1.438210      9.581200
  H      -6.433013      1.261672      9.136764
  H      -5.849274     -3.191106      6.189834
  H      -9.972328     -1.548823      5.022640
  H     -11.179198      0.607937      5.410267
  H     -10.126243      2.385314      6.795907
  H      -7.915843      2.030937      7.829929
  N      -3.491262      1.873575      5.516232
  H      -4.496654      1.716784      5.117057
91
Coordinates from ORCA-job orca E -6200.107575248097
  N      -2.732844      4.123991      7.119712
  Mo     -2.126537      2.359743      6.440452
  N      -2.200035      0.979173      7.838975
  C      -1.225543      0.933223      8.927498
  C      -0.644284      2.321568      9.173137
  N      -0.363007      2.973581      7.877846
  C      -0.430425      4.446997      7.930554
  C      -1.882532      4.891035      8.026869
  C       0.870285      2.466135      7.240511
  C       0.788518      2.659750      5.732850
  N      -0.545403      2.317597      5.254781
  H      -1.938595      5.968924      7.786471
  H      -2.257081      4.790996      9.065768
  H       0.004760      4.827361      6.996017
  H       0.164399      4.849096      8.771518
  H       1.548282      2.017810      5.253829
  H       1.041909      3.700280      5.447102
  H       0.924479      1.389654      7.456293
  H       1.769152      2.947984      7.667919
  H      -1.705515      0.583098      9.857397
  H      -0.426701      0.202077      8.696274
  H      -1.393544      2.932636      9.694904
  H       0.262281      2.278233      9.804280
  C      -4.088782      4.723005      7.063395
  C      -5.105589      3.843088      6.433977
  C      -5.885226      4.145494      5.369623
  C      -6.652280      3.126208      4.677783
  N      -6.120149      1.875321      4.658443
  C      -6.791141      0.907994      4.002747
  N      -7.929252      1.021656      3.343568
  C      -8.503651      2.268641      3.344681
  C      -9.737329      2.457814      2.684376
  C     -10.353090      3.700715      2.684064
  C      -9.761951      4.787641      3.357925
  C      -8.554775      4.627558      4.019887
  C      -7.892723      3.377155      4.014358
  C      -0.609692      1.926145      3.834908
  C      -0.559041      0.429160      3.758237
  C      -1.509137     -0.396473      3.260984
  C      -2.713025     -0.026175      2.526946
  N      -2.739142      1.143157      1.864813
  C      -3.836698      1.418813      1.127212
  N      -4.900672      0.659483      0.927028
  C      -4.924584     -0.521820      1.619858
  C      -6.060021     -1.358992      1.502084
  C      -6.140547     -2.530329      2.228940
  C      -5.088723     -2.907284      3.092929
  C      -3.963120     -2.114152      3.217885
  C      -3.844991     -0.912340      2.476423
  C      -3.326121      0.043345      7.983312
  C      -4.456111      0.708800      8.716746
  C      -5.779252      0.607474      8.468897
  C      -6.426104     -0.296075      7.521149
  N      -5.791284     -1.436116      7.196927
  C      -6.443016     -2.297468      6.384489
  N      -7.665111     -2.189411      5.890698
  C      -8.328652     -1.028002      6.185929
  C      -9.621316     -0.817122      5.648593
  C     -10.285260      0.372890      5.874729
  C      -9.680185      1.394593      6.637999
  C      -8.426443      1.209759      7.189950
  C      -7.728444     -0.007559      6.993300
  H      -4.033157      5.695043      6.538743
  H      -4.383396      4.943181      8.111563
  H      -5.202524      2.848366      6.875137
  H      -5.896196      5.163564      4.965440
  H      -6.319424     -0.078946      4.007502
  H     -10.182165      1.597774      2.181169
  H     -11.305847      3.836854      2.169453
  H     -10.262133      5.759043      3.364502
  H      -8.112853      5.466227      4.558432
  H       0.236979      2.387447      3.288887
  H      -1.532934      2.298297      3.378927
  H       0.291320     -0.033774      4.269379
  H      -1.369277     -1.466953      3.425428
  H      -3.822915      2.385963      0.611553
  H      -6.873720     -1.025719      0.855854
  H      -7.030414     -3.156837      2.157813
  H      -5.172469     -3.827011      3.673296
  H      -3.169033     -2.408991      3.906563
  H      -2.993608     -0.866724      8.517309
  H      -3.660989     -0.286883      6.993442
  H      -4.142608      1.427063      9.481792
  H      -6.445653      1.261425      9.036222
  H      -5.889425     -3.205226      6.124217
  H     -10.051087     -1.606253      5.031334
  H     -11.270555      0.541609      5.435949
  H     -10.197870      2.344760      6.772534
  H      -7.956689      2.021681      7.747780
  N      -3.463046      1.902588      5.439818
  H      -4.463568      1.756855      5.024777
91
Coordinates from ORCA-job orca E -6200.106515508856
  N      -2.729040      4.155247      7.143340
  Mo     -2.151086      2.393095      6.435496
  N      -2.238844      0.993587      7.815069
  C      -1.260133      0.919037      8.898425
  C      -0.659939      2.295972      9.162676
  N      -0.374313      2.965494      7.876911
  C      -0.423531      4.438096      7.954872
  C      -1.869371      4.896488      8.063873
  C       0.851643      2.457905      7.227073
  C       0.764899      2.672686      5.722624
  N      -0.573234      2.344333      5.245078
  H      -1.913302      5.980263      7.844092
  H      -2.243330      4.780199      9.102760
  H       0.012991      4.828748      7.025273
  H       0.178968      4.819025      8.800533
  H       1.517808      2.029335      5.233784
  H       1.026440      3.714264      5.446975
  H       0.898545      1.378614      7.427510
  H       1.756291      2.926532      7.656961
  H      -1.740436      0.560664      9.825648
  H      -0.470961      0.181732      8.651999
  H      -1.400139      2.908000      9.696518
  H       0.248241      2.231598      9.790215
  C      -4.081136      4.759952      7.109599
  C      -5.090441      3.893447      6.455859
  C      -5.887986      4.222086      5.413760
  C      -6.617673      3.207999      4.679409
  N      -6.007099      1.999349      4.559435
  C      -6.640905      1.035170      3.865570
  N      -7.812712      1.112758      3.261599
  C      -8.464073      2.316585      3.361097
  C      -9.734824      2.462421      2.763152
  C     -10.428571      3.660105      2.863661
  C      -9.877516      4.744261      3.575923
  C      -8.634024      4.628150      4.177402
  C      -7.895632      3.422969      4.072757
  C      -0.631381      1.938978      3.827033
  C      -0.540586      0.445173      3.767692
  C      -1.447852     -0.419752      3.259283
  C      -2.640988     -0.112290      2.479208
  N      -2.689916      1.035584      1.782854
  C      -3.773380      1.245249      1.002333
  N      -4.795616      0.434478      0.784192
  C      -4.794225     -0.727926      1.507163
  C      -5.891572     -1.613459      1.379556
  C      -5.960096     -2.756607      2.150127
  C      -4.934200     -3.057211      3.069598
  C      -3.840880     -2.219271      3.201804
  C      -3.735960     -1.043702      2.417530
  C      -3.370520      0.060355      7.940271
  C      -4.494780      0.724488      8.686396
  C      -5.821892      0.645297      8.443750
  C      -6.491901     -0.226235      7.483014
  N      -5.871393     -1.360938      7.119934
  C      -6.544958     -2.197309      6.301483
  N      -7.777786     -2.072210      5.837670
  C      -8.428939     -0.915159      6.173858
  C      -9.732914     -0.690315      5.673585
  C     -10.386473      0.495000      5.941172
  C      -9.759521      1.499109      6.711616
  C      -8.493651      1.297992      7.229947
  C      -7.804915      0.082244      6.989897
  H      -4.029487      5.746197      6.614654
  H      -4.372103      4.944797      8.163813
  H      -5.163787      2.881273      6.855728
  H      -5.942428      5.256025      5.063600
  H      -6.114017      0.080806      3.801176
  H     -10.146382      1.604454      2.229087
  H     -11.410376      3.760325      2.398498
  H     -10.437673      5.672305      3.663817
  H      -8.223521      5.461887      4.749645
  H       0.207054      2.406838      3.284139
  H      -1.555635      2.287499      3.359325
  H       0.313762      0.013982      4.306023
  H      -1.272075     -1.484459      3.449825
  H      -3.782323      2.197793      0.462093
  H      -6.690509     -1.335579      0.694374
  H      -6.825504     -3.417647      2.073401
  H      -5.013171     -3.951583      3.688969
  H      -3.069822     -2.452146      3.935045
  H      -3.043887     -0.861912      8.458399
  H      -3.707529     -0.252202      6.943355
  H      -4.170370      1.421655      9.466374
  H      -6.475089      1.293928      9.031779
  H      -6.000803     -3.101761      6.007068
  H     -10.180780     -1.465581      5.049953
  H     -11.380259      0.674840      5.530023
  H     -10.271991      2.449153      6.881144
  H      -8.009881      2.093281      7.796968
  N      -3.501593      1.970405      5.437643
  H      -4.504972      1.849652      5.027752
91
Coordinates from ORCA-job orca E -6200.107789069175
  N      -2.741564      4.119053      7.125787
  Mo     -2.132408      2.359533      6.438550
  N      -2.205235      0.971841      7.831326
  C      -1.229766      0.921591      8.918527
  C      -0.649610      2.308960      9.170559
  N      -0.369620      2.969211      7.879117
  C      -0.441021      4.441977      7.940264
  C      -1.893770      4.881778      8.039079
  C       0.865068      2.470110      7.238608
  C       0.781796      2.669691      5.732637
  N      -0.551322      2.327457      5.252127
  H      -1.952074      5.961565      7.806238
  H      -2.268697      4.773505      9.077392
  H      -0.007038      4.828232      7.007823
  H       0.152964      4.841266      8.783138
  H       1.541817      2.029672      5.251054
  H       1.034450      3.711436      5.450857
  H       0.924757      1.393314      7.449400
  H       1.761685      2.954053      7.666957
  H      -1.708751      0.566914      9.847167
  H      -0.430542      0.192164      8.683276
  H      -1.399506      2.916012      9.695655
  H       0.257034      2.263273      9.801147
  C      -4.100346      4.713237      7.077383
  C      -5.110828      3.837167      6.433771
  C      -5.895768      4.151110      5.376107
  C      -6.648454      3.134316      4.667235
  N      -6.083991      1.898942      4.607859
  C      -6.739193      0.930956      3.937557
  N      -7.890495      1.031508      3.298102
  C      -8.495928      2.263523      3.335777
  C      -9.741714      2.437170      2.694167
  C     -10.389138      3.663052      2.731885
  C      -9.816135      4.749372      3.422813
  C      -8.595965      4.605796      4.065053
  C      -7.903650      3.371794      4.023951
  C      -0.608243      1.932803      3.831642
  C      -0.540748      0.437276      3.754800
  C      -1.474683     -0.400981      3.248561
  C      -2.676266     -0.049962      2.501981
  N      -2.714948      1.117393      1.837339
  C      -3.812723      1.375259      1.092880
  N      -4.862506      0.598020      0.884622
  C      -4.871698     -0.582635      1.578329
  C      -5.994348     -1.436240      1.459192
  C      -6.067642     -2.599644      2.199481
  C      -5.021783     -2.951681      3.080188
  C      -3.906980     -2.143688      3.205097
  C      -3.795570     -0.950782      2.448537
  C      -3.329369      0.032279      7.971767
  C      -4.455099      0.698853      8.711870
  C      -5.781129      0.614545      8.468942
  C      -6.448752     -0.267419      7.516522
  N      -5.833956     -1.411775      7.173667
  C      -6.506466     -2.253232      6.358651
  N      -7.732201     -2.122762      5.878930
  C      -8.375689     -0.955622      6.192703
  C      -9.671731     -0.724277      5.675019
  C     -10.316833      0.472050      5.920637
  C      -9.688095      1.479342      6.684562
  C      -8.430368      1.272447      7.219255
  C      -7.752162      0.046765      7.003938
  H      -4.049730      5.693524      6.567951
  H      -4.396375      4.914896      8.128391
  H      -5.202004      2.835820      6.860887
  H      -5.923607      5.176352      4.993321
  H      -6.248492     -0.046923      3.923881
  H     -10.170253      1.578620      2.174613
  H     -11.351550      3.786628      2.231879
  H     -10.339911      5.706200      3.458106
  H      -8.167607      5.444610      4.616980
  H       0.235383      2.399595      3.290613
  H      -1.530068      2.296443      3.368600
  H       0.309175     -0.014937      4.278001
  H      -1.323806     -1.469268      3.419574
  H      -3.811979      2.342630      0.578823
  H      -6.805772     -1.120337      0.803238
  H      -6.949177     -3.238401      2.127462
  H      -5.103227     -3.862493      3.675344
  H      -3.120370     -2.415874      3.909485
  H      -2.994900     -0.878719      8.502665
  H      -3.666233     -0.296315      6.981480
  H      -4.132874      1.407073      9.483174
  H      -6.435165      1.272224      9.045557
  H      -5.968575     -3.166251      6.083021
  H     -10.120368     -1.502987      5.056935
  H     -11.306130      0.656057      5.498887
  H     -10.193007      2.434693      6.837504
  H      -7.944909      2.070193      7.781787
  N      -3.470694      1.910029      5.437446
  H      -4.470696      1.771991      5.018501
91
Coordinates from ORCA-job orca E -6200.107719956269
  N      -2.722118      4.148056      7.130175
  Mo     -2.134243      2.374002      6.463372
  N      -2.203011      1.005343      7.874545
  C      -1.221505      0.964979      8.956725
  C      -0.629284      2.351869      9.183289
  N      -0.353684      2.987993      7.878814
  C      -0.410845      4.462238      7.915947
  C      -1.858419      4.917519      8.022335
  C       0.870381      2.466208      7.235927
  C       0.776503      2.641808      5.726686
  N      -0.564661      2.308507      5.263182
  H      -1.909028      5.993658      7.772199
  H      -2.223474      4.829945      9.066018
  H       0.017015      4.828706      6.972524
  H       0.195521      4.869849      8.746048
  H       1.524498      1.984459      5.249606
  H       1.039566      3.675296      5.425174
  H       0.921423      1.392497      7.464872
  H       1.775736      2.948766      7.648171
  H      -1.696466      0.626916      9.893649
  H      -0.428184      0.227183      8.727097
  H      -1.370571      2.973501      9.703986
  H       0.281662      2.308785      9.808065
  C      -4.076669      4.750819      7.084953
  C      -5.093154      3.870085      6.458499
  C      -5.869048      4.168451      5.390167
  C      -6.626594      3.143279      4.699232
  N      -6.080727      1.898333      4.683355
  C      -6.745489      0.920792      4.037633
  N      -7.886654      1.020478      3.380710
  C      -8.471375      2.263405      3.371902
  C      -9.705165      2.438218      2.708300
  C     -10.332825      3.674475      2.701775
  C      -9.752197      4.770801      3.369266
  C      -8.543573      4.625673      4.032456
  C      -7.870591      3.380781      4.035423
  C      -0.641633      1.896166      3.849912
  C      -0.615736      0.398133      3.791819
  C      -1.568819     -0.418251      3.284855
  C      -2.750109     -0.038027      2.519266
  N      -2.744834      1.125418      1.845354
  C      -3.821317      1.409432      1.079256
  N      -4.886655      0.659426      0.854480
  C      -4.941218     -0.516232      1.554762
  C      -6.082874     -1.341254      1.414713
  C      -6.202900     -2.497434      2.159822
  C      -5.186463     -2.871154      3.066441
  C      -4.053195     -2.093169      3.210361
  C      -3.893377     -0.908066      2.449573
  C      -3.322339      0.061908      8.022732
  C      -4.466688      0.720588      8.738270
  C      -5.784966      0.605815      8.471890
  C      -6.410623     -0.307778      7.519130
  N      -5.760759     -1.442248      7.205804
  C      -6.395031     -2.313209      6.389427
  N      -7.612680     -2.218965      5.881769
  C      -8.290789     -1.063071      6.164794
  C      -9.580884     -0.870132      5.616225
  C     -10.260388      0.313784      5.830985
  C      -9.672943      1.346119      6.593616
  C      -8.422174      1.177226      7.158026
  C      -7.709764     -0.033778      6.974678
  H      -4.023459      5.723693      6.561193
  H      -4.365392      4.968630      8.135393
  H      -5.193151      2.877961      6.904763
  H      -5.882594      5.186364      4.983087
  H      -6.269199     -0.064369      4.056784
  H     -10.139875      1.572972      2.206450
  H     -11.285475      3.799267      2.184376
  H     -10.260092      5.739262      3.367838
  H      -8.109052      5.472931      4.565174
  H       0.211527      2.334019      3.295357
  H      -1.557570      2.279075      3.387948
  H       0.217123     -0.071207      4.325976
  H      -1.451373     -1.487242      3.466907
  H      -3.785561      2.374600      0.560696
  H      -6.871577     -1.008252      0.738503
  H      -7.098379     -3.113559      2.070740
  H      -5.305478     -3.775155      3.665495
  H      -3.289010     -2.383503      3.932126
  H      -2.984573     -0.837023      8.571687
  H      -3.645886     -0.284192      7.035336
  H      -4.170377      1.444068      9.505400
  H      -6.465105      1.255924      9.027060
  H      -5.829916     -3.216823      6.139031
  H      -9.997168     -1.668180      5.000300
  H     -11.245379      0.467325      5.387057
  H     -10.204126      2.290069      6.722315
  H      -7.968360      1.994631      7.719200
  N      -3.483684      1.921005      5.478876
  H      -4.486302      1.784738      5.066462
91
Coordinates from ORCA-job orca E -6200.107900770480
  N      -2.729397      4.129816      7.121457
  Mo     -2.126686      2.360852      6.455061
  N      -2.198093      0.989850      7.864465
  C      -1.222075      0.952251      8.951606
  C      -0.637757      2.341433      9.183674
  N      -0.357883      2.982182      7.882400
  C      -0.424444      4.456009      7.922085
  C      -1.875401      4.902236      8.020743
  C       0.873265      2.469124      7.246109
  C       0.787290      2.646715      5.737144
  N      -0.549643      2.308168      5.264323
  H      -1.930932      5.978867      7.773082
  H      -2.246181      4.809841      9.062089
  H       0.006649      4.826758      6.981933
  H       0.174539      4.865886      8.756340
  H       1.541049      1.993655      5.263219
  H       1.047491      3.682162      5.439360
  H       0.929953      1.395422      7.473335
  H       1.772864      2.956589      7.664465
  H      -1.700945      0.611421      9.885560
  H      -0.424578      0.217843      8.725743
  H      -1.385191      2.958133      9.701108
  H       0.269646      2.301735      9.813630
  C      -4.088082      4.723758      7.071995
  C      -5.097490      3.841839      6.435207
  C      -5.874754      4.144465      5.368698
  C      -6.628483      3.121726      4.669946
  N      -6.072021      1.881662      4.633383
  C      -6.732495      0.906652      3.978487
  N      -7.879489      1.004775      3.331299
  C      -8.475648      2.241941      3.344246
  C      -9.717298      2.413469      2.694370
  C     -10.356251      3.644594      2.708530
  C      -9.779231      4.737727      3.384613
  C      -8.563352      4.595867      4.035494
  C      -7.879179      3.357116      4.017225
  C      -0.615863      1.903414      3.847344
  C      -0.586329      0.406181      3.781055
  C      -1.535684     -0.410726      3.268085
  C      -2.717862     -0.031561      2.504744
  N      -2.716230      1.132975      1.833909
  C      -3.796076      1.416626      1.072958
  N      -4.861883      0.665516      0.851090
  C      -4.912322     -0.511169      1.549543
  C      -6.054001     -1.337062      1.414977
  C      -6.170265     -2.493157      2.160842
  C      -5.149922     -2.865874      3.062942
  C      -4.016194     -2.086991      3.201389
  C      -3.860216     -0.902576      2.438950
  C      -3.319263      0.048158      8.011991
  C      -4.456943      0.714648      8.732428
  C      -5.778720      0.614915      8.473908
  C      -6.424356     -0.285752      7.523314
  N      -5.789518     -1.424501      7.196900
  C      -6.443243     -2.285515      6.386509
  N      -7.667365     -2.179031      5.897062
  C      -8.331605     -1.018956      6.194808
  C      -9.627757     -0.813718      5.666337
  C     -10.294445      0.374006      5.896445
  C      -9.687789      1.398214      6.655287
  C      -8.430008      1.217670      7.199543
  C      -7.729593      0.001912      6.999599
  H      -4.038429      5.700269      6.555357
  H      -4.382840      4.932686      8.121927
  H      -5.194697      2.846794      6.875224
  H      -5.896989      5.165004      4.972901
  H      -6.247985     -0.074037      3.982086
  H     -10.149697      1.549460      2.187265
  H     -11.315366      3.766554      2.202012
  H     -10.296316      5.698749      3.401620
  H      -8.132115      5.440281      4.575976
  H       0.239266      2.345047      3.302449
  H      -1.527835      2.286890      3.379979
  H       0.245531     -0.063872      4.317365
  H      -1.415121     -1.481672      3.446610
  H      -3.763475      2.382381      0.556650
  H      -6.845342     -1.004894      0.742521
  H      -7.066228     -3.109884      2.076370
  H      -5.266682     -3.768908      3.663956
  H      -3.249545     -2.374942      3.921386
  H      -2.983106     -0.852077      8.560177
  H      -3.646412     -0.297372      7.024779
  H      -4.149977      1.432280      9.501172
  H      -6.447065      1.269625      9.037597
  H      -5.889494     -3.193586      6.124467
  H     -10.059206     -1.605306      5.052582
  H     -11.283704      0.537751      5.466263
  H     -10.209403      2.346346      6.795798
  H      -7.961718      2.029022      7.757463
  N      -3.468614      1.903730      5.462389
  H      -4.469619      1.765452      5.042844
91
Coordinates from ORCA-job orca E -6200.107723469922
  N      -2.744601      4.113174      7.130201
  Mo     -2.132890      2.350800      6.454864
  N      -2.198039      0.973174      7.858558
  C      -1.221895      0.936066      8.945576
  C      -0.643005      2.326717      9.182170
  N      -0.366635      2.974801      7.883857
  C      -0.440951      4.448028      7.930036
  C      -1.893905      4.885754      8.032222
  C       0.866851      2.472500      7.244510
  C       0.778884      2.656771      5.736828
  N      -0.556026      2.313486      5.262595
  H      -1.955648      5.963323      7.789977
  H      -2.262965      4.786315      9.073600
  H      -0.012875      4.824957      6.991010
  H       0.156721      4.857791      8.765330
  H       1.535139      2.008829      5.259784
  H       1.034404      3.694497      5.443443
  H       0.930774      1.398336      7.466784
  H       1.763470      2.963902      7.664248
  H      -1.699592      0.590952      9.878475
  H      -0.421795      0.205080      8.717660
  H      -1.392897      2.938053      9.702303
  H       0.264770      2.288523      9.811619
  C      -4.108150      4.697919      7.091530
  C      -5.113057      3.813937      6.451120
  C      -5.901602      4.119150      5.393284
  C      -6.639993      3.091571      4.685943
  N      -6.050982      1.867634      4.617019
  C      -6.693858      0.888485      3.951581
  N      -7.853711      0.968120      3.324935
  C      -8.482718      2.188474      3.370307
  C      -9.737863      2.338375      2.741764
  C     -10.408734      3.550761      2.787508
  C      -9.850071      4.647715      3.473034
  C      -8.621000      4.527057      4.103271
  C      -7.905395      3.306677      4.054150
  C      -0.614519      1.911609      3.845388
  C      -0.564304      0.415809      3.773308
  C      -1.499269     -0.411959      3.253051
  C      -2.684657     -0.046930      2.487142
  N      -2.698950      1.119566      1.819395
  C      -3.781393      1.389139      1.056239
  N      -4.833181      0.621203      0.826845
  C      -4.866428     -0.558702      1.520793
  C      -5.992780     -1.403343      1.378391
  C      -6.094111     -2.561533      2.122690
  C      -5.074223     -2.917289      3.032097
  C      -3.954229     -2.120548      3.177531
  C      -3.812877     -0.934419      2.415367
  C      -3.318604      0.030198      8.006393
  C      -4.448381      0.710838      8.727690
  C      -5.772074      0.643913      8.466847
  C      -6.442285     -0.228593      7.508032
  N      -5.840396     -1.381687      7.172657
  C      -6.517633     -2.215606      6.354600
  N      -7.737424     -2.069612      5.863967
  C      -8.367869     -0.893324      6.170064
  C      -9.655930     -0.645841      5.640793
  C     -10.287437      0.559755      5.878626
  C      -9.652035      1.559557      6.646538
  C      -8.401358      1.336624      7.192246
  C      -7.737534      0.102058      6.984495
  H      -4.068979      5.680618      6.585260
  H      -4.399336      4.892840      8.145421
  H      -5.197465      2.813362      6.881660
  H      -5.943417      5.145058      5.010719
  H      -6.184354     -0.080198      3.932291
  H     -10.154970      1.472606      2.225915
  H     -11.378256      3.655943      2.297385
  H     -10.391382      5.595975      3.513168
  H      -8.203787      5.374294      4.651479
  H       0.237150      2.365172      3.304593
  H      -1.529256      2.285661      3.375758
  H       0.271311     -0.044028      4.312288
  H      -1.365316     -1.480472      3.428763
  H      -3.763027      2.357397      0.543602
  H      -6.786033     -1.083339      0.702310
  H      -6.979410     -3.192497      2.033022
  H      -5.182175     -3.820114      3.634370
  H      -3.188568     -2.394015      3.904165
  H      -2.984697     -0.869827      8.555785
  H      -3.648619     -0.317874      7.019714
  H      -4.128601      1.418258      9.500778
  H      -6.423487      1.312813      9.033552
  H      -5.989723     -3.135526      6.085710
  H     -10.109463     -1.419919      5.020049
  H     -11.270264      0.756096      5.447666
  H     -10.145719      2.521577      6.794186
  H      -7.910699      2.128405      7.758013
  N      -3.473493      1.892357      5.461759
  H      -4.474117      1.752748      5.039903
91
Coordinates from ORCA-job orca E -6200.107927332756
  N      -2.731197      4.130517      7.128059
  Mo     -2.131048      2.360753      6.462587
  N      -2.197882      0.991256      7.874567
  C      -1.219937      0.957392      8.960074
  C      -0.634424      2.346916      9.186397
  N      -0.357141      2.983554      7.882706
  C      -0.422824      4.457564      7.917323
  C      -1.872788      4.904987      8.021003
  C       0.871709      2.468844      7.244239
  C       0.781221      2.642302      5.735058
  N      -0.557827      2.306400      5.266481
  H      -1.928684      5.980813      7.770184
  H      -2.238766      4.816388      9.064286
  H       0.003999      4.824206      6.973611
  H       0.180277      4.870557      8.747071
  H       1.531009      1.984686      5.261032
  H       1.044412      3.675806      5.433145
  H       0.929846      1.395989      7.475006
  H       1.772451      2.958241      7.657707
  H      -1.697181      0.620101      9.896106
  H      -0.423091      0.221826      8.735492
  H      -1.380501      2.965641      9.703284
  H       0.274238      2.308660      9.814584
  C      -4.090456      4.724347      7.085095
  C      -5.100314      3.843973      6.447662
  C      -5.871701      4.144437      5.376191
  C      -6.618426      3.118269      4.675693
  N      -6.056095      1.880584      4.642832
  C      -6.709403      0.901724      3.986296
  N      -7.855591      0.993578      3.336846
  C      -8.457553      2.228138      3.345962
  C      -9.697785      2.392924      2.691936
  C     -10.341560      3.621734      2.700340
  C      -9.770719      4.718955      3.374614
  C      -8.556147      4.583452      4.029698
  C      -7.867371      3.347523      4.017317
  C      -0.626448      1.902887      3.849555
  C      -0.599735      0.405965      3.777433
  C      -1.547785     -0.408303      3.258349
  C      -2.731733     -0.024741      2.500395
  N      -2.735447      1.147210      1.842854
  C      -3.818134      1.436116      1.088125
  N      -4.880487      0.682735      0.857611
  C      -4.924638     -0.502717      1.541292
  C      -6.060231     -1.334780      1.394493
  C      -6.170950     -2.499007      2.127964
  C      -5.151448     -2.873950      3.030471
  C      -4.022231     -2.090551      3.178553
  C      -3.870944     -0.898614      2.426932
  C      -3.315054      0.044888      8.025747
  C      -4.455554      0.715451      8.738210
  C      -5.777074      0.618786      8.476107
  C      -6.426851     -0.285115      7.531790
  N      -5.798733     -1.430269      7.214567
  C      -6.456894     -2.292852      6.410141
  N      -7.679656     -2.182664      5.918046
  C      -8.336614     -1.015814      6.205293
  C      -9.630008     -0.805808      5.672168
  C     -10.288966      0.388562      5.890831
  C      -9.676540      1.414585      6.642263
  C      -8.421014      1.229759      7.190700
  C      -7.729140      0.007349      7.003110
  H      -4.042483      5.703073      6.572375
  H      -4.382268      4.928477      8.136874
  H      -5.201750      2.850542      6.890377
  H      -5.891524      5.163860      4.977026
  H      -6.220056     -0.076734      3.992954
  H     -10.125631      1.525760      2.186427
  H     -11.299693      3.738472      2.190667
  H     -10.291298      5.678443      3.386946
  H      -8.129962      5.431198      4.568965
  H       0.230196      2.342803      3.305290
  H      -1.536549      2.290898      3.381715
  H       0.230721     -0.066289      4.313590
  H      -1.426339     -1.480211      3.429243
  H      -3.790962      2.408724      0.584468
  H      -6.852230     -1.000519      0.723829
  H      -7.062843     -3.120251      2.035002
  H      -5.266293     -3.781445      3.624726
  H      -3.255860     -2.380104      3.898466
  H      -2.975959     -0.848209      8.583662
  H      -3.638432     -0.312451      7.041342
  H      -4.149855      1.436051      9.504745
  H      -6.443405      1.281261      9.033065
  H      -5.908832     -3.206295      6.156422
  H     -10.065646     -1.599400      5.063994
  H     -11.275996      0.555728      5.456720
  H     -10.191773      2.367356      6.774042
  H      -7.948437      2.042650      7.742901
  N      -3.475771      1.905465      5.473221
  H      -4.477384      1.770959      5.049028
91
Coordinates from ORCA-job orca E -6200.107854690841
  N      -2.724379      4.132111      7.117874
  Mo     -2.123797      2.354900      6.473628
  N      -2.189916      1.000922      7.900356
  C      -1.213188      0.979754      8.987226
  C      -0.628503      2.372107      9.198031
  N      -0.350119      2.993247      7.886933
  C      -0.415817      4.467567      7.904147
  C      -1.865950      4.916520      8.002473
  C       0.878540      2.469274      7.255043
  C       0.789246      2.624008      5.743608
  N      -0.550954      2.287167      5.278172
  H      -1.921257      5.989525      7.739287
  H      -2.232420      4.840060      9.046649
  H       0.010975      4.822950      6.956160
  H       0.187384      4.890300      8.728908
  H       1.537354      1.958568      5.277861
  H       1.055755      3.653007      5.429317
  H       0.935222      1.399290      7.498984
  H       1.779768      2.962468      7.662816
  H      -1.691204      0.652684      9.926539
  H      -0.415578      0.242282      8.771735
  H      -1.375216      2.996644      9.706897
  H       0.279556      2.341421      9.827495
  C      -4.083482      4.725580      7.066687
  C      -5.092118      3.842423      6.430692
  C      -5.862616      4.140439      5.357565
  C      -6.615379      3.115595      4.661245
  N      -6.058058      1.875506      4.627381
  C      -6.719529      0.897473      3.977704
  N      -7.868800      0.992362      3.334244
  C      -8.465280      2.229464      3.343004
  C      -9.708426      2.397720      2.695304
  C     -10.347292      3.629301      2.704251
  C      -9.768430      4.725755      3.373057
  C      -8.550944      4.587151      4.022078
  C      -7.866993      3.348280      4.008802
  C      -0.624789      1.877307      3.862951
  C      -0.624400      0.379728      3.801986
  C      -1.583374     -0.421776      3.282432
  C      -2.752437     -0.024316      2.508466
  N      -2.724839      1.136755      1.832757
  C      -3.794140      1.436848      1.063355
  N      -4.870774      0.703164      0.835097
  C      -4.946900     -0.469942      1.536903
  C      -6.100568     -1.277753      1.395119
  C      -6.244746     -2.426115      2.147685
  C      -5.241435     -2.809369      3.064401
  C      -4.095119     -2.050056      3.208121
  C      -3.910070     -0.874447      2.438260
  C      -3.302914      0.050377      8.053920
  C      -4.453622      0.713870      8.755815
  C      -5.771255      0.606175      8.479165
  C      -6.399306     -0.297285      7.519834
  N      -5.747812     -1.426132      7.191028
  C      -6.384279     -2.289473      6.369802
  N      -7.605607     -2.194743      5.870758
  C      -8.286538     -1.044788      6.170625
  C      -9.580951     -0.852781      5.633557
  C     -10.264989      0.324381      5.866915
  C      -9.677426      1.350987      6.637308
  C      -8.421464      1.183132      7.189864
  C      -7.703878     -0.022112      6.987240
  H      -4.033507      5.701281      6.548665
  H      -4.378261      4.935538      8.116231
  H      -5.194963      2.850797      6.877088
  H      -5.882106      5.158834      4.957270
  H      -6.233897     -0.082573      3.983807
  H     -10.142478      1.531059      2.193884
  H     -11.307717      3.748532      2.199411
  H     -10.285199      5.686374      3.386577
  H      -8.118596      5.434477      4.557345
  H       0.238980      2.298763      3.316592
  H      -1.527326      2.277384      3.391488
  H       0.193623     -0.103394      4.348269
  H      -1.483392     -1.494466      3.465329
  H      -3.741656      2.400834      0.545791
  H      -6.878987     -0.936751      0.712506
  H      -7.150092     -3.028350      2.057532
  H      -5.381737     -3.704569      3.672116
  H      -3.341605     -2.345348      3.938719
  H      -2.960836     -0.837014      8.619159
  H      -3.618538     -0.314783      7.070147
  H      -4.160991      1.434300      9.527652
  H      -6.450861      1.256811      9.034064
  H      -5.817689     -3.190115      6.107643
  H      -9.997545     -1.645769      5.011366
  H     -11.252976      0.477966      5.430297
  H     -10.212470      2.291338      6.780701
  H      -7.968563      1.996508      7.757385
  N      -3.468998      1.888359      5.490721
  H      -4.472010      1.750468      5.068294
91
Coordinates from ORCA-job orca E -6200.107945943555
  N      -2.732610      4.127504      7.124892
  Mo     -2.129027      2.354266      6.472869
  N      -2.191621      0.994654      7.894727
  C      -1.213599      0.971319      8.980468
  C      -0.631107      2.363969      9.195740
  N      -0.355088      2.990568      7.886951
  C      -0.423664      4.464759      7.909146
  C      -1.874506      4.910569      8.010814
  C       0.874115      2.472260      7.252163
  C       0.782933      2.632593      5.741297
  N      -0.556677      2.294085      5.276042
  H      -1.932382      5.984274      7.751318
  H      -2.239203      4.829967      9.055280
  H       0.001186      4.823994      6.961659
  H       0.179826      4.886088      8.734477
  H       1.531875      1.970039      5.272733
  H       1.047160      3.663076      5.430047
  H       0.934059      1.401576      7.492452
  H       1.774544      2.966647      7.660664
  H      -1.690229      0.640623      9.919250
  H      -0.415148      0.235560      8.761869
  H      -1.378593      2.985354      9.707461
  H       0.277541      2.332651      9.824425
  C      -4.093857      4.716695      7.080223
  C      -5.100453      3.831503      6.444120
  C      -5.870296      4.126461      5.369787
  C      -6.615364      3.097346      4.671547
  N      -6.051974      1.859867      4.641903
  C      -6.704367      0.878378      3.988587
  N      -7.850392      0.967242      3.338940
  C      -8.453261      2.201428      3.343889
  C      -9.693042      2.363275      2.688486
  C     -10.337672      3.591757      2.692304
  C      -9.768072      4.691557      3.363265
  C      -8.553955      4.559009      4.019817
  C      -7.864349      3.323345      4.012128
  C      -0.627935      1.887010      3.860695
  C      -0.617522      0.390000      3.793735
  C      -1.568607     -0.415149      3.266501
  C      -2.737751     -0.020728      2.490881
  N      -2.716688      1.145593      1.823751
  C      -3.784645      1.442513      1.051145
  N      -4.852939      0.700851      0.810879
  C      -4.922530     -0.478222      1.503372
  C      -6.067098     -1.296228      1.347231
  C      -6.205193     -2.451127      2.090513
  C      -5.204918     -2.830953      3.012237
  C      -4.066841     -2.062137      3.169180
  C      -3.887672     -0.879841      2.408425
  C      -3.304639      0.044018      8.050011
  C      -4.448260      0.713348      8.758488
  C      -5.768680      0.617764      8.490748
  C      -6.415016     -0.278953      7.537328
  N      -5.780937     -1.416533      7.204734
  C      -6.435574     -2.272863      6.390701
  N      -7.659909     -2.163672      5.902130
  C      -8.323446     -1.004639      6.205940
  C      -9.620052     -0.796501      5.679781
  C     -10.286803      0.389958      5.916907
  C      -9.678857      1.410217      6.679654
  C      -8.420179      1.226785      7.221523
  C      -7.720388      0.011959      7.015355
  H      -4.049066      5.694592      6.565753
  H      -4.386194      4.921566      8.131684
  H      -5.200536      2.839521      6.890325
  H      -5.891598      5.144770      4.967779
  H      -6.213018     -0.099072      3.996758
  H     -10.119644      1.494473      2.184849
  H     -11.295300      3.706128      2.181319
  H     -10.289092      5.650781      3.371933
  H      -8.128807      5.408809      4.556451
  H       0.234366      2.315267      3.315766
  H      -1.532831      2.283543      3.389662
  H       0.202065     -0.089654      4.340271
  H      -1.461679     -1.487723      3.443000
  H      -3.738043      2.411074      0.541028
  H      -6.844343     -0.957745      0.661624
  H      -7.103951     -3.061233      1.989862
  H      -5.341771     -3.730489      3.613817
  H      -3.315447     -2.354926      3.903342
  H      -2.961837     -0.844270      8.613445
  H      -3.625532     -0.320776      7.067384
  H      -4.145727      1.430508      9.529410
  H      -6.437250      1.275941      9.050287
  H      -5.882513     -3.179678      6.124231
  H     -10.052431     -1.585204      5.062957
  H     -11.276773      0.555473      5.488938
  H     -10.200268      2.357525      6.825988
  H      -7.951683      2.035480      7.783278
  N      -3.472448      1.889112      5.487100
  H      -4.474173      1.751431      5.059739
91
Coordinates from ORCA-job orca E -6200.107916137696
  N      -2.726186      4.132628      7.123555
  Mo     -2.128299      2.358010      6.469743
  N      -2.195526      0.997587      7.890882
  C      -1.219174      0.972130      8.978043
  C      -0.632044      2.362702      9.192986
  N      -0.352815      2.987840      7.884174
  C      -0.416001      4.462159      7.906035
  C      -1.864947      4.912906      8.008617
  C       0.874701      2.465344      7.249803
  C       0.784812      2.627143      5.739280
  N      -0.555827      2.294288      5.272755
  H      -1.919343      5.986773      7.749068
  H      -2.229193      4.833747      9.053272
  H       0.009456      4.819558      6.958205
  H       0.189449      4.881568      8.730836
  H       1.531188      1.961806      5.270574
  H       1.053396      3.656800      5.429090
  H       0.930776      1.394346      7.489244
  H       1.776479      2.956224      7.659012
  H      -1.698166      0.643756      9.916367
  H      -0.423051      0.233436      8.761229
  H      -1.377772      2.986857      9.703707
  H       0.275913      2.328607      9.822386
  C      -4.085998      4.725481      7.082449
  C      -5.096154      3.844456      6.446520
  C      -5.867246      4.144185      5.374395
  C      -6.614342      3.118213      4.674031
  N      -6.049736      1.881511      4.635084
  C      -6.704174      0.902914      3.978898
  N      -7.853902      0.994349      3.335518
  C      -8.457574      2.228088      3.349428
  C      -9.700132      2.392716      2.699834
  C     -10.345548      3.620770      2.713079
  C      -9.773812      4.717152      3.387783
  C      -8.556657      4.581906      4.038321
  C      -7.866319      3.346939      4.020958
  C      -0.626803      1.891129      3.855579
  C      -0.611856      0.393954      3.781777
  C      -1.563053     -0.413641      3.257871
  C      -2.743088     -0.021516      2.498430
  N      -2.739197      1.151824      1.843737
  C      -3.821131      1.450505      1.091715
  N      -4.889511      0.705575      0.861527
  C      -4.941174     -0.481151      1.542390
  C      -6.083855     -1.303693      1.397476
  C      -6.202802     -2.467377      2.130537
  C      -5.184535     -2.851673      3.030588
  C      -4.048368     -2.078149      3.176079
  C      -3.888829     -0.886735      2.425200
  C      -3.310114      0.048741      8.045217
  C      -4.458209      0.720647      8.743326
  C      -5.777283      0.618947      8.470398
  C      -6.418521     -0.294619      7.529549
  N      -5.788015     -1.443122      7.228233
  C      -6.440707     -2.314217      6.428427
  N      -7.660380     -2.209689      5.927402
  C      -8.319483     -1.040170      6.198194
  C      -9.609319     -0.836566      5.654419
  C     -10.270071      0.359993      5.855486
  C      -9.662598      1.394587      6.599019
  C      -8.410761      1.216151      7.157902
  C      -7.717427     -0.008235      6.988870
  H      -4.039208      5.704385      6.569916
  H      -4.376117      4.928808      8.134830
  H      -5.198021      2.851560      6.890613
  H      -5.888033      5.163630      4.975678
  H      -6.212887     -0.074774      3.981293
  H     -10.128234      1.526462      2.192863
  H     -11.305499      3.737395      2.206684
  H     -10.295492      5.675812      3.404083
  H      -8.129611      5.429330      4.577695
  H       0.234001      2.323187      3.311987
  H      -1.532469      2.287510      3.386257
  H       0.213300     -0.084662      4.320535
  H      -1.449077     -1.486582      3.427659
  H      -3.788130      2.424392      0.591100
  H      -6.874668     -0.962307      0.729125
  H      -7.100132     -3.081081      2.039286
  H      -5.306228     -3.757870      3.625843
  H      -3.283032     -2.374494      3.893933
  H      -2.970364     -0.836270      8.615450
  H      -3.625555     -0.320955      7.063508
  H      -4.160739      1.447929      9.506872
  H      -6.449096      1.285272      9.015926
  H      -5.890554     -3.230162      6.186740
  H     -10.040819     -1.637078      5.052365
  H     -11.254812      0.521406      5.414171
  H     -10.178989      2.348593      6.717190
  H      -7.942524      2.035241      7.704337
  N      -3.474692      1.901282      5.483917
  H      -4.477326      1.769602      5.057198
91
Coordinates from ORCA-job orca E -6200.107959984214
  N      -2.728937      4.130176      7.122029
  Mo     -2.128259      2.354136      6.474945
  N      -2.192777      0.998641      7.900875
  C      -1.215874      0.978173      8.987673
  C      -0.631196      2.370590      9.197840
  N      -0.353232      2.991542      7.886786
  C      -0.418830      4.465893      7.903140
  C      -1.868619      4.914977      8.004181
  C       0.874905      2.468276      7.254185
  C       0.784570      2.623787      5.742830
  N      -0.555975      2.288103      5.278085
  H      -1.924487      5.987799      7.740525
  H      -2.232661      4.839333      9.049244
  H       0.005919      4.820351      6.953843
  H       0.186167      4.889389      8.726233
  H       1.531422      1.957118      5.276726
  H       1.052334      3.652327      5.428195
  H       0.932496      1.398329      7.498116
  H       1.776264      2.962080      7.661142
  H      -1.693965      0.652105      9.927329
  H      -0.418528      0.240110      8.772934
  H      -1.377985      2.995257      9.706480
  H       0.276913      2.340244      9.827304
  C      -4.089690      4.720665      7.078264
  C      -5.097759      3.836305      6.443535
  C      -5.867307      4.131395      5.369011
  C      -6.613018      3.102562      4.671204
  N      -6.049158      1.865283      4.639677
  C      -6.702614      0.883789      3.987121
  N      -7.850544      0.972568      3.340600
  C      -8.453631      2.206663      3.347052
  C      -9.694896      2.368434      2.694429
  C     -10.339815      3.596874      2.700043
  C      -9.769005      4.696453      3.370244
  C      -8.553333      4.563982      4.024056
  C      -7.863413      3.328570      4.014304
  C      -0.628167      1.882051      3.862222
  C      -0.620691      0.384961      3.792535
  C      -1.572837     -0.418121      3.263876
  C      -2.743527     -0.020199      2.492664
  N      -2.724637      1.150175      1.832862
  C      -3.796053      1.452768      1.067328
  N      -4.866327      0.713683      0.827937
  C      -4.933471     -0.469760      1.513135
  C      -6.079661     -1.285582      1.357881
  C      -6.214982     -2.445157      2.094371
  C      -5.210112     -2.832113      3.008135
  C      -4.070446     -2.065488      3.163840
  C      -3.894217     -0.878253      2.410032
  C      -3.305346      0.047782      8.057500
  C      -4.452367      0.717900      8.759315
  C      -5.771611      0.618889      8.486795
  C      -6.413027     -0.284443      7.536368
  N      -5.777029     -1.424064      7.214106
  C      -6.427892     -2.286230      6.403244
  N      -7.650301     -2.181030      5.908957
  C      -8.315468     -1.020132      6.201763
  C      -9.609651     -0.816146      5.668267
  C     -10.277668      0.371971      5.893557
  C      -9.673402      1.397844      6.651625
  C      -8.417205      1.218655      7.200538
  C      -7.716258      0.002398      7.006613
  H      -4.044234      5.698320      6.563381
  H      -4.380851      4.926135      8.129924
  H      -5.199115      2.844842      6.890672
  H      -5.887979      5.149438      4.966594
  H      -6.211310     -0.093759      3.994565
  H     -10.122448      1.499736      2.191303
  H     -11.298673      3.711194      2.191240
  H     -10.290309      5.655353      3.380672
  H      -8.127226      5.413742      4.560194
  H       0.235063      2.308539      3.317770
  H      -1.531774      2.281485      3.391312
  H       0.198608     -0.096943      4.337507
  H      -1.466450     -1.491396      3.436822
  H      -3.751078      2.424368      0.563049
  H      -6.860168     -0.942021      0.678624
  H      -7.114955     -3.053688      1.994686
  H      -5.344678     -3.735288      3.604924
  H      -3.315374     -2.363971      3.891724
  H      -2.962806     -0.837094      8.626431
  H      -3.622749     -0.322230      7.076068
  H      -4.153791      1.439109      9.528079
  H      -6.443201      1.279200      9.040042
  H      -5.873524     -3.195055      6.145486
  H     -10.039000     -1.609363      5.055118
  H     -11.265770      0.534053      5.460053
  H     -10.195611      2.346145      6.788710
  H      -7.951640      2.031578      7.758448
  N      -3.472895      1.890206      5.490343
  H      -4.475063      1.754682      5.062180
91
Coordinates from ORCA-job orca E -6200.107961311437
  N      -2.727846      4.131421      7.120554
  Mo     -2.127787      2.354424      6.475401
  N      -2.193206      1.000371      7.902754
  C      -1.217296      0.981379      8.990492
  C      -0.632177      2.373873      9.198822
  N      -0.352893      2.992471      7.886951
  C      -0.417386      4.466880      7.900693
  C      -1.866816      4.917191      8.001110
  C       0.875062      2.467192      7.255810
  C       0.785734      2.620553      5.744172
  N      -0.555042      2.286205      5.279168
  H      -1.921932      5.989575      7.735517
  H      -2.230726      4.843784      9.046377
  H       0.007491      4.819275      6.950690
  H       0.188020      4.891438      8.722942
  H       1.531784      1.951913      5.279574
  H       1.055329      3.648140      5.427969
  H       0.931566      1.397567      7.501381
  H       1.776673      2.960779      7.662469
  H      -1.696383      0.657119      9.930275
  H      -0.420114      0.242545      8.777776
  H      -1.379097      2.999758      9.705744
  H       0.275396      2.344199      9.829094
  C      -4.088644      4.721876      7.077576
  C      -5.097143      3.837385      6.443782
  C      -5.866988      4.131988      5.369354
  C      -6.612777      3.102790      4.672219
  N      -6.048088      1.865908      4.639890
  C      -6.701456      0.884082      3.987712
  N      -7.850219      0.972173      3.342607
  C      -8.454253      2.205802      3.350033
  C      -9.696435      2.366722      2.698992
  C     -10.342208      3.594749      2.705454
  C      -9.771319      4.694651      3.375003
  C      -8.554754      4.562958      4.027347
  C      -7.864016      3.328036      4.016694
  C      -0.626818      1.879478      3.863529
  C      -0.621285      0.382369      3.794519
  C      -1.573406     -0.419879      3.264579
  C      -2.742121     -0.020982      2.490851
  N      -2.719691      1.147876      1.828537
  C      -3.789349      1.451258      1.060871
  N      -4.861039      0.714200      0.821770
  C      -4.931705     -0.467720      1.509249
  C      -6.079677     -1.281069      1.354371
  C      -6.218751     -2.438648      2.093266
  C      -5.215884     -2.826116      3.009046
  C      -4.074434     -2.062082      3.164246
  C      -3.894472     -0.876803      2.408227
  C      -3.304895      0.048391      8.058967
  C      -4.453313      0.717888      8.759027
  C      -5.772253      0.618132      8.485051
  C      -6.412778     -0.285645      7.534428
  N      -5.776142     -1.424924      7.212067
  C      -6.426491     -2.287416      6.401153
  N      -7.649074     -2.183064      5.907073
  C      -8.315023     -1.022711      6.200198
  C      -9.609436     -0.819579      5.666922
  C     -10.278212      0.368122      5.892230
  C      -9.674383      1.394475      6.649949
  C      -8.417944      1.216145      7.198622
  C      -7.716280      0.000296      7.004814
  H      -4.043531      5.699457      6.562523
  H      -4.379032      4.927475      8.129441
  H      -5.198548      2.846182      6.891520
  H      -5.887836      5.149846      4.966460
  H      -6.209309     -0.093062      3.994227
  H     -10.124050      1.497750      2.196385
  H     -11.301787      3.708432      2.197860
  H     -10.293254      5.653208      3.386139
  H      -8.128605      5.412952      4.563057
  H       0.237521      2.304258      3.319430
  H      -1.529421      2.280010      3.391630
  H       0.196174     -0.100269      4.341570
  H      -1.468941     -1.493107      3.438844
  H      -3.741434      2.421627      0.554491
  H      -6.858613     -0.937044      0.673540
  H      -7.120176     -3.045091      1.994003
  H      -5.353418     -3.727515      3.607860
  H      -3.320913     -2.360881      3.893596
  H      -2.961842     -0.835392      8.629323
  H      -3.620780     -0.323246      7.077692
  H      -4.156086      1.439373      9.528065
  H      -6.444546      1.278365      9.037519
  H      -5.871393     -3.195623      6.142836
  H     -10.038317     -1.613076      5.053822
  H     -11.266468      0.529541      5.458805
  H     -10.197115      2.342482      6.786998
  H      -7.952890      2.029498      7.756358
  N      -3.472212      1.890745      5.490481
  H      -4.474244      1.755896      5.061132
91
Coordinates from ORCA-job orca E -6200.107963068387
  N      -2.727637      4.132239      7.119370
  Mo     -2.128253      2.353262      6.478883
  N      -2.192825      1.003214      7.910216
  C      -1.217892      0.988819      8.998924
  C      -0.632588      2.382009      9.201656
  N      -0.352470      2.994955      7.887336
  C      -0.415860      4.469436      7.894767
  C      -1.864821      4.921310      7.995163
  C       0.874770      2.465909      7.258201
  C       0.785693      2.613608      5.745937
  N      -0.555923      2.280918      5.282138
  H      -1.919369      5.992519      7.724711
  H      -2.227360      4.853177      9.041273
  H       0.007940      4.817206      6.942585
  H       0.191014      4.897238      8.714265
  H       1.529967      1.941045      5.284086
  H       1.058092      3.639139      5.425442
  H       0.930084      1.397184      7.507903
  H       1.777039      2.959989      7.662847
  H      -1.697934      0.668872      9.939739
  H      -0.420833      0.248655      8.790279
  H      -1.379682      3.010282      9.705328
  H       0.274575      2.354888      9.832652
  C      -4.088734      4.722003      7.077481
  C      -5.097232      3.836994      6.444461
  C      -5.866305      4.130395      5.369187
  C      -6.611893      3.100559      4.672679
  N      -6.046814      1.863806      4.640601
  C      -6.700107      0.881463      3.989024
  N      -7.849208      0.969007      3.344496
  C      -8.453644      2.202433      3.351644
  C      -9.696095      2.362690      2.701042
  C     -10.342267      3.590623      2.707229
  C      -9.771481      4.690854      3.376197
  C      -8.554598      4.559758      4.028155
  C      -7.863485      3.325084      4.017647
  C      -0.628462      1.873635      3.866835
  C      -0.626134      0.376584      3.797889
  C      -1.578092     -0.423671      3.264911
  C      -2.744095     -0.021496      2.488769
  N      -2.717098      1.147665      1.827361
  C      -3.784771      1.455007      1.058504
  N      -4.858627      0.721744      0.817859
  C      -4.933709     -0.460711      1.503963
  C      -6.084086     -1.270178      1.346896
  C      -6.227610     -2.428166      2.084186
  C      -5.226781     -2.820113      3.000307
  C      -4.082962     -2.060019      3.157480
  C      -3.898615     -0.874137      2.403431
  C      -3.302057      0.048595      8.067490
  C      -4.452848      0.717226      8.764303
  C      -5.771013      0.617086      8.486657
  C      -6.409286     -0.286338      7.534317
  N      -5.771127     -1.424626      7.211201
  C      -6.419823     -2.286972      6.398952
  N      -7.642347     -2.183759      5.904338
  C      -8.309917     -1.024538      6.198297
  C      -9.604493     -0.822678      5.664883
  C     -10.275000      0.363906      5.890973
  C      -9.672558      1.390556      6.649312
  C      -8.415955      1.213498      7.198098
  C      -7.712748     -0.001401      7.003960
  H      -4.044425      5.699571      6.562378
  H      -4.378284      4.927417      8.129624
  H      -5.198909      2.846242      6.893131
  H      -5.886738      5.147778      4.965067
  H      -6.207337     -0.095353      3.995203
  H     -10.123668      1.493418      2.198897
  H     -11.302075      3.703793      2.199971
  H     -10.293695      5.649216      3.387247
  H      -8.128511      5.410017      4.563416
  H       0.237142      2.295812      3.322617
  H      -1.529848      2.276280      3.394358
  H       0.188885     -0.107787      4.347075
  H      -1.476093     -1.497263      3.438644
  H      -3.733034      2.425503      0.552741
  H      -6.861319     -0.922881      0.665779
  H      -7.130956     -3.031512      1.983527
  H      -5.367753     -3.721706      3.597974
  H      -3.330869     -2.362390      3.886871
  H      -2.957175     -0.832451      8.641079
  H      -3.615696     -0.327156      7.087027
  H      -4.158057      1.438806      9.534189
  H      -6.444717      1.277124      9.037646
  H      -5.863372     -3.194127      6.139834
  H     -10.032139     -1.616291      5.051088
  H     -11.263443      0.524210      5.457547
  H     -10.196437      2.337856      6.786812
  H      -7.952307      2.027243      7.756505
  N      -3.473162      1.888362      5.495402
  H      -4.475528      1.753988      5.065199
91
Coordinates from ORCA-job orca E -6200.107963204627
  N      -2.726166      4.133735      7.117053
  Mo     -2.127690      2.353502      6.478785
  N      -2.193961      1.005279      7.911775
  C      -1.220519      0.992331      9.001838
  C      -0.634342      2.385426      9.202489
  N      -0.352265      2.995573      7.887297
  C      -0.413987      4.470119      7.891787
  C      -1.862474      4.923823      7.991084
  C       0.874795      2.463820      7.260199
  C       0.787302      2.609085      5.747588
  N      -0.554551      2.278162      5.283195
  H      -1.915772      5.994511      7.718223
  H      -2.225144      4.858530      9.037360
  H       0.010322      4.815459      6.938946
  H       0.193270      4.898906      8.710498
  H       1.530712      1.934256      5.287622
  H       1.061967      3.633481      5.425418
  H       0.928403      1.395443      7.511717
  H       1.777403      2.957301      7.664844
  H      -1.702159      0.674800      9.942687
  H      -0.423914      0.250899      8.795898
  H      -1.381526      3.015308      9.703998
  H       0.272049      2.358881      9.834621
  C      -4.087175      4.723649      7.075772
  C      -5.096237      3.838505      6.443924
  C      -5.866183      4.131626      5.369253
  C      -6.611912      3.101469      4.673277
  N      -6.045785      1.865212      4.639881
  C      -6.698953      0.882689      3.988477
  N      -7.849161      0.969537      3.345815
  C      -8.454875      2.202336      3.354689
  C      -9.698718      2.361640      2.706526
  C     -10.346112      3.588918      2.714505
  C      -9.775180      4.689419      3.382905
  C      -8.556993      4.559263      4.032601
  C      -7.864671      3.325218      4.020243
  C      -0.626655      1.870318      3.868035
  C      -0.625533      0.373225      3.799400
  C      -1.577323     -0.426428      3.265202
  C      -2.742272     -0.023046      2.487934
  N      -2.713646      1.146479      1.827286
  C      -3.780788      1.455651      1.058268
  N      -4.855567      0.724021      0.817122
  C      -4.932169     -0.458911      1.502273
  C      -6.083581     -1.266721      1.344384
  C      -6.228533     -2.425379      2.080344
  C      -5.228115     -2.819662      2.995857
  C      -4.083409     -2.061085      3.153965
  C      -3.897655     -0.874447      2.401435
  C      -3.303069      0.050515      8.068933
  C      -4.454639      0.719046      8.764468
  C      -5.772501      0.618377      8.485555
  C      -6.409646     -0.285861      7.533241
  N      -5.770407     -1.423649      7.210406
  C      -6.418176     -2.286764      6.398250
  N      -7.640801     -2.184801      5.903554
  C      -8.309400     -1.026047      6.197046
  C      -9.604038     -0.825475      5.663329
  C     -10.275559      0.360682      5.888753
  C      -9.674192      1.388041      6.646975
  C      -8.417575      1.212159      7.196143
  C      -7.713244     -0.002181      7.002520
  H      -4.043124      5.700980      6.560188
  H      -4.375956      4.929606      8.128030
  H      -5.197521      2.847832      6.892852
  H      -5.887117      5.148955      4.964954
  H      -6.205395     -0.093767      3.993615
  H     -10.126435      1.492165      2.204905
  H     -11.307002      3.701324      2.209151
  H     -10.298359      5.647240      3.395419
  H      -8.130828      5.409662      4.567617
  H       0.239581      2.291436      3.324047
  H      -1.527439      2.273618      3.394979
  H       0.188531     -0.111766      4.349507
  H      -1.476227     -1.500102      3.438832
  H      -3.727591      2.426287      0.552906
  H      -6.860364     -0.917792      0.663613
  H      -7.132640     -3.027500      1.979091
  H      -5.370028     -3.721863      3.592408
  H      -3.331673     -2.365376      3.882820
  H      -2.958212     -0.829910      8.643513
  H      -3.615851     -0.326162      7.088657
  H      -4.160786      1.440821      9.534528
  H      -6.446913      1.278309      9.035808
  H      -5.860921     -3.193559      6.139424
  H     -10.030845     -1.619678      5.049680
  H     -11.263957      0.520043      5.454913
  H     -10.198823      2.335022      6.783981
  H      -7.954820      2.026479      7.754359
  N      -3.472137      1.888764      5.494644
  H      -4.474322      1.754721      5.063653
91
Coordinates from ORCA-job orca E -6200.107963743862
  N      -2.726461      4.133976      7.117347
  Mo     -2.128077      2.353767      6.478661
  N      -2.194212      1.005391      7.911477
  C      -1.221259      0.992780      9.001976
  C      -0.635019      2.385863      9.202371
  N      -0.352605      2.995687      7.887108
  C      -0.414008      4.470239      7.891303
  C      -1.862388      4.924306      7.990750
  C       0.874338      2.463472      7.260216
  C       0.787072      2.608568      5.747575
  N      -0.554927      2.278362      5.283080
  H      -1.915494      5.994862      7.717338
  H      -2.224833      4.859678      9.037139
  H       0.010206      4.815256      6.938306
  H       0.193490      4.899087      8.709800
  H       1.530149      1.933234      5.287812
  H       1.062352      3.632738      5.425220
  H       0.927526      1.395095      7.511818
  H       1.777074      2.956633      7.664944
  H      -1.703380      0.675710      9.942739
  H      -0.424734      0.251072      8.796722
  H      -1.382281      3.015939      9.703506
  H       0.271203      2.359445      9.834748
  C      -4.087457      4.723865      7.076342
  C      -5.096545      3.838826      6.444335
  C      -5.866490      4.132134      5.369737
  C      -6.612332      3.102112      4.673570
  N      -6.046213      1.865872      4.639779
  C      -6.699321      0.883621      3.987891
  N      -7.849411      0.970758      3.345043
  C      -8.455212      2.203499      3.354516
  C      -9.699051      2.363051      2.706400
  C     -10.346534      3.590270      2.715035
  C      -9.775684      4.690470      3.384019
  C      -8.557490      4.560070      4.033656
  C      -7.865088      3.326084      4.020652
  C      -0.626966      1.870538      3.867908
  C      -0.624996      0.373439      3.799139
  C      -1.576356     -0.426688      3.264872
  C      -2.741595     -0.023755      2.487752
  N      -2.713479      1.145822      1.827195
  C      -3.780969      1.454768      1.058564
  N      -4.855707      0.722946      0.817837
  C      -4.931671     -0.460171      1.502753
  C      -6.082871     -1.268309      1.345077
  C      -6.226981     -2.427420      2.080509
  C      -5.225923     -2.821765      2.995286
  C      -4.081511     -2.062732      3.153351
  C      -3.896620     -0.875627      2.401346
  C      -3.302942      0.050127      8.068361
  C      -4.454481      0.718200      8.764412
  C      -5.772361      0.617748      8.485507
  C      -6.409688     -0.286146      7.533037
  N      -5.770722     -1.424052      7.210071
  C      -6.418734     -2.286960      6.397951
  N      -7.641398     -2.184711      5.903368
  C      -8.309684     -1.025799      6.196908
  C      -9.604331     -0.824898      5.663326
  C     -10.275553      0.361402      5.888854
  C      -9.673881      1.388589      6.647077
  C      -8.417240      1.212403      7.196090
  C      -7.713223     -0.002098      7.002373
  H      -4.043492      5.701298      6.560924
  H      -4.376177      4.929657      8.128654
  H      -5.197797      2.848035      6.893023
  H      -5.887352      5.149505      4.965538
  H      -6.205809     -0.092846      3.992680
  H     -10.126718      1.493784      2.204363
  H     -11.307435      3.702870      2.209733
  H     -10.298939      5.648249      3.397011
  H      -8.131364      5.410209      4.569131
  H       0.238897      2.292294      3.323820
  H      -1.528089      2.273278      3.395078
  H       0.189321     -0.111173      4.349192
  H      -1.474699     -1.500318      3.438409
  H      -3.728141      2.425426      0.553218
  H      -6.860098     -0.919395      0.664803
  H      -7.130869     -3.029884      1.979387
  H      -5.367069     -3.724413      3.591328
  H      -3.329311     -2.367088      3.881730
  H      -2.957669     -0.830460      8.642445
  H      -3.615848     -0.326198      7.087971
  H      -4.160571      1.439679      9.534731
  H      -6.446657      1.277660      9.035926
  H      -5.861710     -3.193864      6.139065
  H     -10.031396     -1.619005      5.049732
  H     -11.263964      0.521008      5.455131
  H     -10.198273      2.335683      6.784196
  H      -7.954242      2.026632      7.754255
  N      -3.472566      1.889304      5.494430
  H      -4.474854      1.755382      5.063805
