75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.461048958682
  N      -3.625125     -3.702791      3.289062
  C      -3.319915     -4.353675      2.017845
  C      -2.671608     -5.701165      2.319069
  N      -3.461816     -6.404242      3.358815
  C      -4.688548     -6.991461      2.755225
  C      -5.874172     -6.607531      3.644860
  N      -5.679030     -5.241396      4.079514
  Mo     -3.875525     -4.866720      4.860842
  N      -2.459951     -5.979365      5.750828
  C      -1.669079     -6.901082      4.949025
  C      -2.646786     -7.495884      3.941349
  H      -1.258689     -7.705903      5.567777
  H      -0.833684     -6.391437      4.452488
  H      -3.321814     -8.170923      4.479982
  H      -2.124387     -8.055203      3.157414
  H      -6.827418     -6.748922      3.128269
  H      -5.882905     -7.234084      4.550456
  H      -4.826763     -6.593605      1.747577
  H      -4.603759     -8.077370      2.668180
  H      -2.627479     -3.743421      1.428150
  H      -4.241428     -4.482094      1.433523
  H      -1.660283     -5.528460      2.699536
  H      -2.599473     -6.307512      1.409207
  C      -4.065226     -2.423953      3.223898
  C      -4.420814     -1.805688      2.003731
  C      -4.859519     -0.506410      1.930200
  Cl     -5.331313      0.113214      0.397039
  C      -4.896692      0.324952      3.084772
  C      -5.383486      1.707462      3.025011
  O      -6.161353      2.125319      2.181178
  C      -4.876595      2.694829      4.064325
  O      -3.962674      2.518049      4.824212
  C      -4.520077     -0.246400      4.284838
  C      -4.162509     -1.601189      4.408784
  C      -3.992466     -2.101388      5.718109
  O      -3.961136     -3.332616      5.991331
  C      -6.574269     -4.260509      3.815226
  C      -6.728676     -3.260280      4.801717
  C      -7.523515     -2.151822      4.630319
  Cl     -7.572438     -0.981685      5.891903
  C      -8.268102     -1.972876      3.441656
  C      -9.065065     -0.775197      3.189960
  O      -9.394576      0.037264      4.043248
  C      -9.458260     -0.464335      1.756107
  O      -8.841247     -0.784733      0.775910
  C      -8.215992     -3.017060      2.516975
  C      -7.397818     -4.129103      2.653429
  C      -7.393404     -5.025391      1.485585
  O      -8.321404     -5.164201      0.725881
  C      -2.083563     -5.782389      7.032459
  C      -0.757970     -5.967015      7.473252
  C      -0.384048     -5.712901      8.775497
  Cl      1.277479     -5.876038      9.186392
  C      -1.328116     -5.284983      9.744770
  C      -0.925616     -4.970112     11.120708
  O       0.071542     -5.409970     11.670219
  C      -1.781395     -3.978962     11.893223
  O      -2.603550     -3.242253     11.417347
  C      -2.658143     -5.198349      9.344620
  C      -3.057127     -5.436217      8.029079
  C      -4.444920     -5.540900      7.695712
  O      -4.868051     -5.634249      6.534479
  H      -4.390750     -2.350246      1.076935
  H      -5.427608      3.650377      4.008945
  H      -4.557911      0.340030      5.187852
  H      -3.963338     -1.393052      6.549503
  H      -6.260191     -3.408221      5.765921
  H     -10.345562      0.191964      1.707558
  H      -8.814632     -2.966538      1.620379
  H      -6.441086     -5.541470      1.284149
  H       0.013173     -6.261687      6.781799
  H      -1.514469     -3.960746     12.964347
  H      -3.418124     -4.953102     10.068456
  H      -5.163740     -5.599946      8.522126
  N      -1.984818     -3.887471      4.917396
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.500603710867
  N      -3.617822     -3.672635      3.270157
  C      -3.331009     -4.350021      2.001062
  C      -2.682191     -5.700161      2.307176
  N      -3.460126     -6.408553      3.367199
  C      -4.706615     -6.992159      2.780837
  C      -5.884412     -6.593115      3.675011
  N      -5.696004     -5.212003      4.099393
  Mo     -3.855755     -4.846563      4.875699
  N      -2.434999     -5.997466      5.774550
  C      -1.660527     -6.922230      4.958920
  C      -2.641072     -7.505574      3.953500
  H      -1.252951     -7.734897      5.574350
  H      -0.819567     -6.410836      4.461654
  H      -3.318989     -8.176626      4.496755
  H      -2.127881     -8.071521      3.162468
  H      -6.842928     -6.740811      3.162728
  H      -5.889449     -7.219082      4.584985
  H      -4.853371     -6.597536      1.769777
  H      -4.622743     -8.082893      2.698915
  H      -2.642085     -3.748057      1.392849
  H      -4.262036     -4.484813      1.425521
  H      -1.665071     -5.527153      2.675965
  H      -2.624742     -6.316504      1.397766
  C      -4.053211     -2.387846      3.215900
  C      -4.416519     -1.770249      1.993011
  C      -4.860615     -0.468238      1.920660
  Cl     -5.333024      0.122126      0.370466
  C      -4.895345      0.370867      3.081216
  C      -5.387981      1.760749      3.054109
  O      -6.186991      2.204893      2.235547
  C      -4.869928      2.751046      4.100484
  O      -3.932655      2.581512      4.847277
  C      -4.507299     -0.209259      4.282183
  C      -4.148060     -1.564101      4.407923
  C      -3.984811     -2.053921      5.731308
  O      -3.951152     -3.288198      6.030153
  C      -6.611630     -4.232983      3.818391
  C      -6.804141     -3.223626      4.795103
  C      -7.617648     -2.126703      4.599312
  Cl     -7.686613     -0.963221      5.873396
  C      -8.344969     -1.964570      3.385246
  C      -9.165258     -0.784875      3.072790
  O      -9.558571      0.049744      3.884295
  C      -9.514222     -0.502240      1.611109
  O      -8.844247     -0.818359      0.653682
  C      -8.252897     -3.023217      2.472868
  C      -7.418746     -4.127058      2.639132
  C      -7.365742     -5.043552      1.483190
  O      -8.275894     -5.212640      0.691101
  C      -2.047427     -5.813764      7.057449
  C      -0.719528     -6.034219      7.488904
  C      -0.330459     -5.793046      8.791960
  Cl      1.341511     -6.000142      9.156435
  C      -1.261849     -5.341543      9.783296
  C      -0.872403     -5.038366     11.174359
  O       0.104448     -5.503423     11.754905
  C      -1.713623     -4.025698     11.952135
  O      -2.516173     -3.253255     11.475243
  C      -2.592896     -5.219722      9.384298
  C      -3.007074     -5.443606      8.067566
  C      -4.395705     -5.515207      7.752267
  O      -4.842849     -5.603954      6.583098
  H      -4.389415     -2.324030      1.061562
  H      -5.437568      3.708848      4.060813
  H      -4.544252      0.378636      5.192810
  H      -3.958007     -1.333553      6.557132
  H      -6.347072     -3.355591      5.770619
  H     -10.419047      0.141127      1.519436
  H      -8.833744     -2.990784      1.556484
  H      -6.390903     -5.551659      1.317074
  H       0.043364     -6.344704      6.782550
  H      -1.453066     -4.026000     13.034874
  H      -3.349306     -4.958391     10.117651
  H      -5.108920     -5.563592      8.590909
  N      -2.018317     -3.901672      4.826542
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.532845129415
  N      -3.605770     -3.653884      3.243331
  C      -3.322780     -4.354804      1.982598
  C      -2.673981     -5.705707      2.299883
  N      -3.445498     -6.418718      3.372378
  C      -4.703356     -7.002591      2.794723
  C      -5.884221     -6.592635      3.682160
  N      -5.710803     -5.198439      4.096576
  Mo     -3.839554     -4.838920      4.882403
  N      -2.407570     -6.021468      5.798098
  C      -1.643944     -6.945122      4.970507
  C      -2.623093     -7.517194      3.963762
  H      -1.239242     -7.764533      5.581603
  H      -0.799278     -6.431958      4.474441
  H      -3.303937     -8.186401      4.507275
  H      -2.115253     -8.084766      3.167663
  H      -6.842092     -6.749064      3.167005
  H      -5.890095     -7.215048      4.596514
  H      -4.851139     -6.613039      1.780289
  H      -4.615121     -8.095581      2.719767
  H      -2.635043     -3.760211      1.362757
  H      -4.256751     -4.498302      1.410563
  H      -1.654929     -5.531544      2.665145
  H      -2.623543     -6.330230      1.393123
  C      -4.045423     -2.369807      3.200681
  C      -4.409215     -1.754397      1.973672
  C      -4.864744     -0.453714      1.902167
  Cl     -5.334806      0.124804      0.342858
  C      -4.912789      0.385952      3.063991
  C      -5.417771      1.772927      3.050262
  O      -6.220552      2.226464      2.235007
  C      -4.916294      2.773775      4.104611
  O      -3.974578      2.620917      4.858407
  C      -4.524268     -0.196879      4.268529
  C      -4.154308     -1.549048      4.399643
  C      -4.005160     -2.022177      5.737678
  O      -3.961904     -3.252978      6.072201
  C      -6.634448     -4.218440      3.805103
  C      -6.826543     -3.204067      4.779803
  C      -7.640766     -2.105638      4.577585
  Cl     -7.701527     -0.940898      5.856499
  C      -8.368065     -1.943727      3.360516
  C      -9.188806     -0.765213      3.033456
  O      -9.592428      0.081468      3.832683
  C      -9.534606     -0.476225      1.565082
  O      -8.856711     -0.787610      0.604380
  C      -8.275111     -3.007726      2.450549
  C      -7.441035     -4.116154      2.622075
  C      -7.379708     -5.039986      1.472406
  O      -8.288442     -5.215596      0.668075
  C      -2.020105     -5.842396      7.078803
  C      -0.691515     -6.082102      7.513210
  C      -0.303461     -5.842510      8.817619
  Cl      1.369892     -6.073236      9.176954
  C      -1.228830     -5.374312      9.814758
  C      -0.845965     -5.075738     11.209589
  O       0.123228     -5.552253     11.804027
  C      -1.671568     -4.050089     11.997958
  O      -2.465224     -3.254348     11.529468
  C      -2.557972     -5.233132      9.411984
  C      -2.977016     -5.453518      8.093010
  C      -4.363503     -5.505560      7.788847
  O      -4.828347     -5.596046      6.614271
  H      -4.372752     -2.313364      1.041010
  H      -5.501768      3.725413      4.061291
  H      -4.572981      0.392592      5.182155
  H      -3.993280     -1.285926      6.552098
  H      -6.365098     -3.333129      5.756471
  H     -10.440790      0.172052      1.474044
  H      -8.854543     -2.976090      1.529504
  H      -6.400539     -5.550752      1.316128
  H       0.069171     -6.404507      6.804263
  H      -1.405494     -4.063617     13.083452
  H      -3.313672     -4.959200     10.146989
  H      -5.074080     -5.544493      8.632719
  N      -2.097585     -3.922045      4.746356
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.557738685653
  N      -3.595407     -3.636401      3.223124
  C      -3.319232     -4.354414      1.971191
  C      -2.675013     -5.705657      2.296784
  N      -3.440183     -6.419332      3.379069
  C      -4.708837     -6.998417      2.810700
  C      -5.890099     -6.579155      3.692592
  N      -5.730459     -5.178087      4.098332
  Mo     -3.828271     -4.826950      4.892698
  N      -2.383774     -6.040993      5.819235
  C      -1.632844     -6.960871      4.976312
  C      -2.615990     -7.519975      3.969804
  H      -1.229046     -7.787640      5.579382
  H      -0.787102     -6.447435      4.479388
  H      -3.299422     -8.187572      4.512634
  H      -2.116015     -8.087223      3.167511
  H      -6.846644     -6.742126      3.174817
  H      -5.897379     -7.198500      4.609824
  H      -4.857379     -6.611688      1.794396
  H      -4.619326     -8.092270      2.740595
  H      -2.631963     -3.769022      1.340632
  H      -4.256693     -4.501078      1.404945
  H      -1.653730     -5.534441      2.657870
  H      -2.633766     -6.335965      1.392791
  C      -4.035287     -2.353167      3.194356
  C      -4.398268     -1.738165      1.966036
  C      -4.861870     -0.439376      1.897019
  Cl     -5.330752      0.136301      0.334174
  C      -4.919393      0.397013      3.059280
  C      -5.433259      1.779161      3.057650
  O      -6.238218      2.239630      2.246869
  C      -4.944328      2.783540      4.119523
  O      -4.001177      2.641238      4.875714
  C      -4.530955     -0.188077      4.264303
  C      -4.154139     -1.538497      4.399150
  C      -4.020246     -1.994378      5.748613
  O      -3.972292     -3.214974      6.122133
  C      -6.657632     -4.204551      3.797184
  C      -6.856874     -3.185404      4.767268
  C      -7.673774     -2.091016      4.552363
  Cl     -7.742471     -0.919258      5.828644
  C      -8.393729     -1.935623      3.329579
  C      -9.213716     -0.763653      2.984240
  O      -9.632043      0.092485      3.768016
  C      -9.546368     -0.476521      1.509042
  O      -8.855482     -0.784029      0.554441
  C      -8.292773     -3.004274      2.424899
  C      -7.457654     -4.111886      2.608340
  C      -7.377947     -5.045022      1.470168
  O      -8.275893     -5.232664      0.651908
  C      -1.995715     -5.866231      7.094428
  C      -0.667823     -6.124759      7.531351
  C      -0.279350     -5.886480      8.835077
  Cl      1.393560     -6.138205      9.193489
  C      -1.196473     -5.402281      9.834657
  C      -0.817646     -5.108544     11.229201
  O       0.141715     -5.595959     11.833866
  C      -1.628297     -4.071750     12.023643
  O      -2.410150     -3.259160     11.561319
  C      -2.522563     -5.241229      9.430168
  C      -2.947600     -5.458558      8.110772
  C      -4.333447     -5.491057      7.818501
  O      -4.816779     -5.583176      6.646319
  H      -4.354678     -2.299927      1.033885
  H      -5.542130      3.728736      4.075436
  H      -4.588911      0.401883      5.178803
  H      -4.020654     -1.240384      6.547927
  H      -6.396717     -3.308215      5.746024
  H     -10.452449      0.172587      1.410446
  H      -8.865150     -2.976619      1.497805
  H      -6.394081     -5.555607      1.332596
  H       0.088322     -6.458806      6.821234
  H      -1.358887     -4.095527     13.109298
  H      -3.274651     -4.954178     10.166109
  H      -5.039553     -5.519174      8.666974
  N      -2.195574     -3.943442      4.682597
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.572348662995
  N      -3.585419     -3.628723      3.201783
  C      -3.313136     -4.359747      1.960383
  C      -2.672283     -5.707292      2.295937
  N      -3.430703     -6.417816      3.386079
  C      -4.709483     -6.990686      2.827846
  C      -5.892821     -6.562330      3.701990
  N      -5.751937     -5.157275      4.096966
  Mo     -3.818873     -4.813615      4.902728
  N      -2.360730     -6.056742      5.839323
  C      -1.617016     -6.966276      4.980278
  C      -2.603791     -7.517449      3.974434
  H      -1.209520     -7.799296      5.572869
  H      -0.773135     -6.449315      4.483261
  H      -3.288829     -8.185629      4.514501
  H      -2.109819     -8.082899      3.167033
  H      -6.845899     -6.736413      3.180214
  H      -5.902647     -7.177376      4.622620
  H      -4.855042     -6.608181      1.809261
  H      -4.619895     -8.084897      2.763645
  H      -2.626732     -3.784686      1.318447
  H      -4.253839     -4.508661      1.400907
  H      -1.649416     -5.538828      2.653832
  H      -2.638109     -6.343662      1.396063
  C      -4.025980     -2.345581      3.187167
  C      -4.382876     -1.731222      1.957441
  C      -4.856281     -0.436083      1.888934
  Cl     -5.318497      0.141069      0.324057
  C      -4.929691      0.394646      3.050683
  C      -5.457098      1.769230      3.056007
  O      -6.259587      2.229779      2.243763
  C      -4.987810      2.776881      4.126404
  O      -4.047552      2.647484      4.886459
  C      -4.545220     -0.191083      4.256271
  C      -4.159944     -1.539475      4.396282
  C      -4.047128     -1.975845      5.756515
  O      -3.995073     -3.179648      6.173964
  C      -6.678134     -4.193616      3.787288
  C      -6.875262     -3.168089      4.753382
  C      -7.690115     -2.075805      4.530139
  Cl     -7.758904     -0.893567      5.800224
  C      -8.408318     -1.924048      3.306731
  C      -9.222777     -0.755423      2.952452
  O      -9.644979      0.108107      3.726729
  C      -9.547051     -0.465563      1.474306
  O      -8.850446     -0.766973      0.523236
  C      -8.308340     -2.995662      2.405820
  C      -7.477238     -4.105025      2.595526
  C      -7.390002     -5.041659      1.464999
  O      -8.277993     -5.230274      0.636325
  C      -1.974101     -5.886291      7.109527
  C      -0.649439     -6.165243      7.552017
  C      -0.261791     -5.928127      8.854684
  Cl      1.408306     -6.199946      9.219794
  C      -1.170552     -5.427453      9.852063
  C      -0.795258     -5.142463     11.245784
  O       0.152304     -5.643314     11.856701
  C      -1.589914     -4.094705     12.045709
  O      -2.355168     -3.265448     11.589869
  C      -2.491864     -5.243853      9.443551
  C      -2.920520     -5.458290      8.124026
  C      -4.306969     -5.471959      7.840912
  O      -4.807059     -5.567576      6.676690
  H      -4.327459     -2.294820      1.027230
  H      -5.598943      3.713055      4.078059
  H      -4.616984      0.398736      5.170021
  H      -4.064210     -1.200009      6.535661
  H      -6.409885     -3.285199      5.730640
  H     -10.448901      0.189170      1.375443
  H      -8.876456     -2.967533      1.475895
  H      -6.406578     -5.555621      1.339518
  H       0.101950     -6.511233      6.842790
  H      -1.317718     -4.129827     13.130243
  H      -3.240188     -4.942858     10.177977
  H      -5.008718     -5.487688      8.693210
  N      -2.293312     -3.948705      4.627943
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.579368189312
  N      -3.594102     -3.627384      3.185647
  C      -3.329374     -4.366750      1.952985
  C      -2.681139     -5.703087      2.297927
  N      -3.424991     -6.406617      3.398177
  C      -4.715551     -6.973164      2.857315
  C      -5.896572     -6.538286      3.730834
  N      -5.776711     -5.131395      4.111542
  Mo     -3.815959     -4.791312      4.918210
  N      -2.344800     -6.056999      5.855175
  C      -1.595592     -6.939100      4.975419
  C      -2.586838     -7.498615      3.978086
  H      -1.165940     -7.773475      5.550524
  H      -0.765643     -6.403840      4.475337
  H      -3.265250     -8.173526      4.517734
  H      -2.096683     -8.059446      3.165474
  H      -6.847256     -6.731654      3.210795
  H      -5.903158     -7.146671      4.656093
  H      -4.860190     -6.596014      1.836618
  H      -4.629103     -8.067518      2.798346
  H      -2.650683     -3.800830      1.294500
  H      -4.276604     -4.520592      1.407501
  H      -1.656366     -5.530842      2.648318
  H      -2.652119     -6.347561      1.404280
  C      -4.025806     -2.339753      3.183346
  C      -4.370674     -1.723999      1.952310
  C      -4.847328     -0.430719      1.882675
  Cl     -5.297799      0.153000      0.317453
  C      -4.933427      0.394149      3.044026
  C      -5.475291      1.761199      3.052377
  O      -6.270347      2.218486      2.232973
  C      -5.025320      2.770257      4.130604
  O      -4.085952      2.653703      4.890578
  C      -4.553100     -0.191729      4.249449
  C      -4.166753     -1.540432      4.394988
  C      -4.077354     -1.959622      5.763880
  O      -4.029221     -3.146490      6.219433
  C      -6.701494     -4.182161      3.788311
  C      -6.894708     -3.137207      4.736963
  C      -7.707565     -2.050465      4.493849
  Cl     -7.777940     -0.840932      5.740234
  C      -8.425336     -1.917405      3.269135
  C      -9.233572     -0.755273      2.895917
  O      -9.656003      0.122015      3.654247
  C      -9.542510     -0.476348      1.412253
  O      -8.834302     -0.775451      0.471394
  C      -8.325028     -3.001139      2.383916
  C      -7.500370     -4.110562      2.593491
  C      -7.402887     -5.059720      1.477589
  O      -8.272542     -5.247063      0.631716
  C      -1.956547     -5.897392      7.122802
  C      -0.637590     -6.205832      7.567406
  C      -0.246237     -5.977917      8.869247
  Cl      1.420050     -6.273178      9.237856
  C      -1.143267     -5.464447      9.866849
  C      -0.768225     -5.209190     11.263448
  O       0.167403     -5.734674     11.868828
  C      -1.544991     -4.159844     12.081340
  O      -2.289390     -3.307037     11.641368
  C      -2.458357     -5.247097      9.456624
  C      -2.892302     -5.449970      8.137096
  C      -4.281180     -5.445676      7.864399
  O      -4.798193     -5.541129      6.711685
  H      -4.306942     -2.289141      1.024748
  H      -5.648127      3.697375      4.077988
  H      -4.633809      0.398588      5.161248
  H      -4.108351     -1.162746      6.521977
  H      -6.418128     -3.233306      5.710627
  H     -10.437071      0.185677      1.304402
  H      -8.884486     -2.980857      1.449086
  H      -6.424584     -5.588290      1.379809
  H       0.106509     -6.560505      6.856184
  H      -1.269016     -4.218848     13.163069
  H      -3.200303     -4.934129     10.191527
  H      -4.975584     -5.448374      8.722676
  N      -2.348832     -3.896162      4.585229
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.583875207758
  N      -3.597932     -3.633341      3.172154
  C      -3.338412     -4.377444      1.946312
  C      -2.683172     -5.703135      2.300135
  N      -3.415295     -6.397087      3.409149
  C      -4.717980     -6.956925      2.889104
  C      -5.893661     -6.513094      3.764786
  N      -5.794177     -5.104074      4.127386
  Mo     -3.809867     -4.771066      4.929336
  N      -2.331128     -6.051896      5.866530
  C      -1.572307     -6.903647      4.968097
  C      -2.566145     -7.479921      3.981719
  H      -1.113869     -7.736014      5.523930
  H      -0.761593     -6.345320      4.463680
  H      -3.234864     -8.162589      4.523185
  H      -2.077002     -8.037645      3.166508
  H      -6.843099     -6.731654      3.252029
  H      -5.892533     -7.110822      4.697011
  H      -4.862326     -6.589397      1.865270
  H      -4.639024     -8.052025      2.838768
  H      -2.668274     -3.819077      1.272821
  H      -4.292510     -4.534262      1.415236
  H      -1.657219     -5.525608      2.643984
  H      -2.655451     -6.355769      1.412693
  C      -4.025571     -2.340308      3.174766
  C      -4.363017     -1.728775      1.941345
  C      -4.843811     -0.437800      1.865688
  Cl     -5.282572      0.147414      0.298849
  C      -4.939070      0.385471      3.025230
  C      -5.497751      1.745275      3.032271
  O      -6.289408      2.193432      2.206606
  C      -5.068143      2.756829      4.116477
  O      -4.128201      2.654683      4.875088
  C      -4.558462     -0.195821      4.231431
  C      -4.169778     -1.544598      4.385002
  C      -4.095966     -1.947844      5.760826
  O      -4.055315     -3.119922      6.249140
  C      -6.716081     -4.166004      3.791776
  C      -6.901466     -3.103211      4.725129
  C      -7.712830     -2.021057      4.470264
  Cl     -7.779205     -0.789622      5.696529
  C      -8.436466     -1.902893      3.248027
  C      -9.240847     -0.745937      2.862366
  O      -9.663300      0.140979      3.608861
  C      -9.541103     -0.478605      1.375307
  O      -8.829566     -0.783173      0.440649
  C      -8.339468     -2.995973      2.375641
  C      -7.521036     -4.106650      2.597235
  C      -7.422823     -5.060661      1.487437
  O      -8.277308     -5.233771      0.625429
  C      -1.941020     -5.902895      7.133980
  C      -0.628368     -6.237315      7.582131
  C      -0.235198     -6.019731      8.884224
  Cl      1.427093     -6.333843      9.256830
  C      -1.124707     -5.499349      9.881460
  C      -0.754814     -5.279878     11.284050
  O       0.168242     -5.831001     11.882572
  C      -1.522075     -4.237086     12.121732
  O      -2.250456     -3.364904     11.699003
  C      -2.432808     -5.250924      9.467441
  C      -2.867773     -5.440051      8.146746
  C      -4.259496     -5.420372      7.880309
  O      -4.789098     -5.514069      6.738285
  H      -4.291817     -2.297841      1.017850
  H      -5.710079      3.670073      4.066532
  H      -4.643508      0.398307      5.139366
  H      -4.137467     -1.131245      6.497764
  H      -6.410003     -3.181563      5.692266
  H     -10.439695      0.175712      1.259509
  H      -8.893988     -2.980512      1.438223
  H      -6.453090     -5.604942      1.406975
  H       0.111573     -6.595819      6.870032
  H      -1.254697     -4.330059     13.202620
  H      -3.170479     -4.928616     10.201458
  H      -4.946936     -5.408375      8.744322
  N      -2.373730     -3.825787      4.534592
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.587508208581
  N      -3.585586     -3.633591      3.172254
  C      -3.333319     -4.377704      1.947305
  C      -2.682748     -5.701560      2.302419
  N      -3.410553     -6.385689      3.416746
  C      -4.726503     -6.934414      2.918212
  C      -5.890727     -6.481632      3.802765
  N      -5.806779     -5.071217      4.148828
  Mo     -3.800527     -4.753283      4.938198
  N      -2.319057     -6.044037      5.874395
  C      -1.555256     -6.869495      4.957483
  C      -2.553818     -7.462734      3.983317
  H      -1.066243     -7.698669      5.492272
  H      -0.766482     -6.288673      4.445621
  H      -3.212445     -8.150910      4.529761
  H      -2.065977     -8.020257      3.166983
  H      -6.841950     -6.724427      3.303151
  H      -5.876210     -7.068659      4.741842
  H      -4.874402     -6.575346      1.892051
  H      -4.660507     -8.030753      2.875347
  H      -2.669161     -3.825263      1.263342
  H      -4.295772     -4.528240      1.430777
  H      -1.655036     -5.525720      2.641176
  H      -2.657529     -6.358100      1.417691
  C      -4.018938     -2.333850      3.173331
  C      -4.360299     -1.732503      1.938426
  C      -4.846321     -0.443524      1.855223
  Cl     -5.278585      0.138795      0.286771
  C      -4.943308      0.381409      3.012863
  C      -5.521708      1.734212      3.018392
  O      -6.317280      2.168266      2.190340
  C      -5.108587      2.751517      4.103615
  O      -4.155816      2.672405      4.847708
  C      -4.553740     -0.192098      4.219225
  C      -4.159765     -1.540257      4.379409
  C      -4.089988     -1.933347      5.759476
  O      -4.061224     -3.095995      6.270879
  C      -6.724141     -4.141353      3.797973
  C      -6.903222     -3.055147      4.708449
  C      -7.716755     -1.981147      4.436843
  Cl     -7.780647     -0.722219      5.635806
  C      -8.449409     -1.888055      3.217020
  C      -9.257400     -0.741531      2.813044
  O      -9.683947      0.156718      3.543713
  C      -9.559745     -0.502395      1.322061
  O      -8.836894     -0.799852      0.394575
  C      -8.354060     -2.997201      2.366148
  C      -7.538082     -4.105692      2.606633
  C      -7.443153     -5.077497      1.512658
  O      -8.288276     -5.251221      0.642208
  C      -1.924538     -5.906191      7.142749
  C      -0.617305     -6.261843      7.592736
  C      -0.222871     -6.057249      8.896265
  Cl      1.436530     -6.385898      9.269346
  C      -1.108251     -5.537152      9.895399
  C      -0.746000     -5.357297     11.305816
  O       0.166039     -5.933608     11.895458
  C      -1.511488     -4.329974     12.166845
  O      -2.217903     -3.432418     11.763198
  C      -2.410455     -5.263219      9.478283
  C      -2.844135     -5.435337      8.155383
  C      -4.238932     -5.401536      7.892941
  O      -4.779120     -5.489459      6.759389
  H      -4.284347     -2.306664      1.018946
  H      -5.769685      3.650896      4.056294
  H      -4.636981      0.407385      5.123170
  H      -4.135130     -1.101638      6.479622
  H      -6.397721     -3.110219      5.669296
  H     -10.454846      0.155240      1.199564
  H      -8.908227     -2.997727      1.428691
  H      -6.490633     -5.654691      1.464796
  H       0.121007     -6.619191      6.879092
  H      -1.245845     -4.453816     13.244987
  H      -3.145547     -4.935917     10.212004
  H      -4.918705     -5.375182      8.763381
  N      -2.397828     -3.767795      4.459081
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.592670868882
  N      -3.564981     -3.640121      3.178462
  C      -3.317893     -4.379486      1.950830
  C      -2.678315     -5.705150      2.303016
  N      -3.404732     -6.379882      3.420408
  C      -4.733703     -6.915111      2.943849
  C      -5.886439     -6.451627      3.834981
  N      -5.820249     -5.041294      4.166795
  Mo     -3.791531     -4.743795      4.943221
  N      -2.307542     -6.039628      5.879273
  C      -1.541760     -6.844271      4.946308
  C      -2.542301     -7.452579      3.980029
  H      -1.028218     -7.671894      5.461031
  H      -0.770911     -6.245774      4.429905
  H      -3.190936     -8.148019      4.528765
  H      -2.053574     -8.008595      3.162835
  H      -6.837342     -6.718454      3.345476
  H      -5.861788     -7.028898      4.780145
  H      -4.883910     -6.566592      1.914519
  H      -4.683277     -8.012826      2.910900
  H      -2.657449     -3.831167      1.260503
  H      -4.288503     -4.517277      1.447664
  H      -1.648622     -5.534620      2.637418
  H      -2.656061     -6.363226      1.419145
  C      -4.005501     -2.328041      3.175728
  C      -4.348663     -1.739171      1.939155
  C      -4.842855     -0.452897      1.845991
  Cl     -5.271300      0.123529      0.276099
  C      -4.944394      0.372990      3.002373
  C      -5.542641      1.719608      3.004771
  O      -6.340802      2.137747      2.172675
  C      -5.145435      2.743171      4.089696
  O      -4.186616      2.681367      4.826843
  C      -4.548388     -0.192551      4.209582
  C      -4.147898     -1.540153      4.376049
  C      -4.084362     -1.927236      5.758959
  O      -4.064528     -3.081830      6.290775
  C      -6.735322     -4.120130      3.807265
  C      -6.910779     -3.015863      4.700602
  C      -7.725537     -1.948588      4.418129
  Cl     -7.788334     -0.669213      5.595944
  C      -8.464898     -1.872392      3.199604
  C      -9.273930     -0.733005      2.781261
  O      -9.703306      0.174601      3.498968
  C      -9.569178     -0.513052      1.286592
  O      -8.838000     -0.812746      0.366849
  C      -8.370302     -2.992774      2.365118
  C      -7.557003     -4.100709      2.618451
  C      -7.465310     -5.082580      1.533373
  O      -8.301528     -5.251824      0.653686
  C      -1.907369     -5.910162      7.149201
  C      -0.605016     -6.280347      7.603184
  C      -0.211409     -6.083851      8.908261
  Cl      1.445387     -6.420986      9.284444
  C      -1.096191     -5.563925      9.906280
  C      -0.742884     -5.412326     11.323285
  O       0.160298     -6.005955     11.907153
  C      -1.509494     -4.395133     12.198676
  O      -2.203677     -3.483566     11.807807
  C      -2.393417     -5.272382      9.484101
  C      -2.822885     -5.433875      8.159304
  C      -4.222059     -5.392375      7.898901
  O      -4.771003     -5.478579      6.774313
  H      -4.266295     -2.319027      1.024196
  H      -5.824345      3.629199      4.044484
  H      -4.633695      0.411390      5.109706
  H      -4.133704     -1.081290      6.462577
  H      -6.393377     -3.054690      5.655131
  H     -10.465834      0.140496      1.153929
  H      -8.923016     -3.004217      1.427132
  H      -6.522666     -5.676576      1.502154
  H       0.134099     -6.636708      6.890494
  H      -1.251307     -4.544837     13.275438
  H      -3.128376     -4.941336     10.215603
  H      -4.893249     -5.355550      8.776627
  N      -2.432467     -3.713801      4.345061
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.595318604123
  N      -3.546620     -3.656764      3.204267
  C      -3.302693     -4.380123      1.963778
  C      -2.677319     -5.711383      2.301838
  N      -3.404162     -6.382559      3.418587
  C      -4.741584     -6.907929      2.961519
  C      -5.882969     -6.436513      3.858079
  N      -5.831643     -5.027521      4.181454
  Mo     -3.789418     -4.752306      4.945158
  N      -2.302055     -6.037759      5.874552
  C      -1.537129     -6.832431      4.930461
  C      -2.536216     -7.453296      3.967651
  H      -1.008392     -7.660036      5.430911
  H      -0.778620     -6.222847      4.411341
  H      -3.172886     -8.157426      4.518944
  H      -2.045709     -8.006207      3.148651
  H      -6.832314     -6.719642      3.372457
  H      -5.852554     -7.007775      4.807131
  H      -4.897573     -6.567814      1.930170
  H      -4.704184     -8.006995      2.936749
  H      -2.643841     -3.827537      1.276320
  H      -4.279813     -4.498599      1.469873
  H      -1.646070     -5.546192      2.632639
  H      -2.656947     -6.365942      1.414696
  C      -3.991722     -2.319756      3.191777
  C      -4.328144     -1.744237      1.952820
  C      -4.827436     -0.458444      1.844744
  Cl     -5.249881      0.108017      0.271911
  C      -4.935133      0.368834      3.001217
  C      -5.543429      1.716224      2.995745
  O      -6.338524      2.121012      2.155458
  C      -5.156867      2.744134      4.079441
  O      -4.197585      2.687145      4.817780
  C      -4.542073     -0.191252      4.211412
  C      -4.139506     -1.540207      4.382234
  C      -4.082942     -1.933719      5.763163
  O      -4.063589     -3.089700      6.299741
  C      -6.746850     -4.111287      3.821389
  C      -6.925008     -2.997056      4.706447
  C      -7.738418     -1.932734      4.419847
  Cl     -7.802701     -0.644246      5.587272
  C      -8.478773     -1.861826      3.198070
  C      -9.286003     -0.723914      2.768743
  O      -9.719299      0.189677      3.477502
  C      -9.565980     -0.516909      1.270221
  O      -8.822920     -0.822119      0.360655
  C      -8.382361     -2.987921      2.373224
  C      -7.571254     -4.097770      2.632219
  C      -7.483263     -5.081670      1.546951
  O      -8.317537     -5.246793      0.662894
  C      -1.891735     -5.911476      7.147555
  C      -0.589362     -6.275541      7.605093
  C      -0.198845     -6.079639      8.912363
  Cl      1.458975     -6.405617      9.290299
  C      -1.091791     -5.568310      9.907711
  C      -0.745697     -5.423391     11.330609
  O       0.158950     -6.015853     11.912333
  C      -1.525895     -4.415703     12.208669
  O      -2.224206     -3.505802     11.819381
  C      -2.389901     -5.282732      9.480195
  C      -2.811418     -5.444073      8.153981
  C      -4.217935     -5.414023      7.892574
  O      -4.771387     -5.502773      6.774945
  H      -4.239370     -2.330423      1.042189
  H      -5.841714      3.626053      4.030779
  H      -4.632971      0.415322      5.108961
  H      -4.135648     -1.081179      6.458814
  H      -6.403674     -3.031051      5.658328
  H     -10.462097      0.135278      1.123256
  H      -8.932281     -3.004926      1.433655
  H      -6.544149     -5.682100      1.517605
  H       0.156170     -6.624749      6.895282
  H      -1.270850     -4.573095     13.285814
  H      -3.130576     -4.958138     10.208662
  H      -4.879667     -5.380845      8.779236
  N      -2.475811     -3.675536      4.199068
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.599544579964
  N      -3.553883     -3.659392      3.232626
  C      -3.326985     -4.380068      1.974182
  C      -2.691330     -5.711526      2.300500
  N      -3.413011     -6.388480      3.421088
  C      -4.741374     -6.927000      2.960251
  C      -5.874680     -6.458269      3.867722
  N      -5.797885     -5.043944      4.188559
  Mo     -3.785263     -4.767186      4.944295
  N      -2.310596     -6.024651      5.862638
  C      -1.539742     -6.828690      4.927316
  C      -2.539984     -7.458845      3.973899
  H      -1.006098     -7.645757      5.439885
  H      -0.789027     -6.216613      4.397835
  H      -3.171018     -8.155080      4.542217
  H      -2.053442     -8.019581      3.157321
  H      -6.834346     -6.724524      3.393145
  H      -5.833576     -7.026531      4.818329
  H      -4.912644     -6.578408      1.933388
  H      -4.696470     -8.026359      2.927384
  H      -2.676126     -3.815173      1.289739
  H      -4.306512     -4.503604      1.484928
  H      -1.660066     -5.535272      2.625581
  H      -2.671381     -6.365037      1.412027
  C      -4.015362     -2.310768      3.193440
  C      -4.370476     -1.750835      1.954703
  C      -4.860332     -0.459059      1.837416
  Cl     -5.293185      0.088440      0.260343
  C      -4.943436      0.383762      2.989148
  C      -5.542218      1.739545      2.977012
  O      -6.346976      2.140934      2.142034
  C      -5.131173      2.775972      4.042394
  O      -4.158066      2.716061      4.768451
  C      -4.533915     -0.165138      4.200795
  C      -4.134805     -1.513695      4.372597
  C      -4.043472     -1.920129      5.746325
  O      -4.018591     -3.098542      6.245541
  C      -6.707739     -4.109169      3.824945
  C      -6.880009     -2.997330      4.711536
  C      -7.695644     -1.929067      4.434862
  Cl     -7.748377     -0.650944      5.611846
  C      -8.449132     -1.858511      3.218057
  C      -9.272979     -0.722633      2.797661
  O      -9.699250      0.190781      3.511849
  C      -9.579691     -0.526386      1.302466
  O      -8.862853     -0.865449      0.379127
  C      -8.352756     -2.982896      2.389811
  C      -7.534172     -4.092460      2.639182
  C      -7.454827     -5.072255      1.545990
  O      -8.285864     -5.206187      0.648490
  C      -1.896990     -5.898849      7.139198
  C      -0.590300     -6.242712      7.591310
  C      -0.203287     -6.050915      8.902707
  Cl      1.459841     -6.354634      9.271026
  C      -1.110078     -5.562687      9.902871
  C      -0.768768     -5.419824     11.331251
  O       0.151338     -5.995884     11.910074
  C      -1.571690     -4.434086     12.211457
  O      -2.302046     -3.544207     11.821802
  C      -2.414394     -5.299201      9.476247
  C      -2.829752     -5.456454      8.147275
  C      -4.237492     -5.443488      7.878314
  O      -4.783556     -5.522617      6.749556
  H      -4.299010     -2.344164      1.045138
  H      -5.822447      3.655633      4.016299
  H      -4.603927      0.449468      5.096610
  H      -4.080298     -1.086954      6.465128
  H      -6.357822     -3.035950      5.663991
  H     -10.507413      0.083031      1.156619
  H      -8.911489     -3.002129      1.454215
  H      -6.510208     -5.664171      1.496773
  H       0.163897     -6.575489      6.879826
  H      -1.339916     -4.605046     13.293250
  H      -3.162760     -4.993478     10.207204
  H      -4.900988     -5.425388      8.764543
  N      -2.410502     -3.716293      4.233900
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.603792706625
  N      -3.511286     -3.637789      3.216124
  C      -3.310929     -4.377263      1.957885
  C      -2.679320     -5.712141      2.292241
  N      -3.398833     -6.378769      3.422056
  C      -4.732682     -6.910517      2.964055
  C      -5.860251     -6.431399      3.877104
  N      -5.773695     -5.013535      4.186744
  Mo     -3.758705     -4.748414      4.940803
  N      -2.296970     -6.010836      5.873570
  C      -1.520687     -6.807817      4.938348
  C      -2.525937     -7.444852      3.990259
  H      -0.973545     -7.616854      5.448859
  H      -0.779375     -6.188087      4.403181
  H      -3.161672     -8.133377      4.563218
  H      -2.039176     -8.013758      3.180493
  H      -6.826732     -6.702519      3.420005
  H      -5.808468     -6.990035      4.832468
  H      -4.901341     -6.565824      1.935412
  H      -4.695751     -8.009657      2.935302
  H      -2.666017     -3.821472      1.260427
  H      -4.298333     -4.500014      1.486384
  H      -1.644353     -5.542947      2.610096
  H      -2.669992     -6.371582      1.409092
  C      -4.009539     -2.303322      3.166540
  C      -4.409515     -1.762800      1.935395
  C      -4.905389     -0.472321      1.824640
  Cl     -5.359967      0.070241      0.251827
  C      -4.962695      0.376592      2.970840
  C      -5.579764      1.721799      2.968828
  O      -6.417336      2.106301      2.158832
  C      -5.160417      2.768654      4.019878
  O      -4.153778      2.743105      4.698632
  C      -4.515793     -0.156668      4.176219
  C      -4.100981     -1.498685      4.348535
  C      -3.987901     -1.893564      5.726582
  O      -3.983981     -3.068025      6.230103
  C      -6.676344     -4.078433      3.809749
  C      -6.828466     -2.952982      4.679837
  C      -7.655533     -1.892995      4.402296
  Cl     -7.692702     -0.597758      5.562009
  C      -8.436759     -1.846784      3.203993
  C      -9.281981     -0.725788      2.792955
  O      -9.704467      0.185755      3.511085
  C      -9.646871     -0.550074      1.307974
  O      -8.942061     -0.851682      0.364480
  C      -8.351655     -2.981740      2.388969
  C      -7.524530     -4.083651      2.640117
  C      -7.461918     -5.081973      1.566658
  O      -8.308893     -5.238517      0.689487
  C      -1.896062     -5.895590      7.150060
  C      -0.597779     -6.259969      7.606612
  C      -0.218079     -6.081303      8.921581
  Cl      1.439995     -6.402183      9.299270
  C      -1.124501     -5.593816      9.920252
  C      -0.795973     -5.486508     11.351557
  O       0.109159     -6.087508     11.927459
  C      -1.598571     -4.519618     12.250720
  O      -2.296188     -3.598679     11.878908
  C      -2.421266     -5.307650      9.488339
  C      -2.830535     -5.445991      8.154765
  C      -4.231980     -5.412789      7.880135
  O      -4.776568     -5.483145      6.748061
  H      -4.351662     -2.358789      1.027358
  H      -5.868454      3.633844      4.011040
  H      -4.567312      0.465027      5.068504
  H      -4.023980     -1.059913      6.444600
  H      -6.282384     -2.972202      5.620139
  H     -10.568538      0.073200      1.193639
  H      -8.928934     -3.017894      1.465488
  H      -6.545273     -5.716035      1.548759
  H       0.156712     -6.593269      6.895998
  H      -1.364178     -4.709334     13.327731
  H      -3.168954     -4.997338     10.217925
  H      -4.899804     -5.383361      8.761523
  N      -2.396404     -3.736855      4.226451
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.607477916169
  N      -3.464571     -3.625564      3.211919
  C      -3.304288     -4.375539      1.940929
  C      -2.685519     -5.721213      2.268976
  N      -3.401271     -6.381074      3.407861
  C      -4.734285     -6.914943      2.953240
  C      -5.852657     -6.430498      3.875382
  N      -5.752778     -5.010328      4.181168
  Mo     -3.744679     -4.751785      4.927704
  N      -2.291697     -5.990439      5.869601
  C      -1.518721     -6.800852      4.939772
  C      -2.527528     -7.441532      3.992293
  H      -0.969197     -7.603209      5.456539
  H      -0.780242     -6.184122      4.396620
  H      -3.168293     -8.119987      4.571997
  H      -2.040334     -8.019645      3.190058
  H      -6.828177     -6.697914      3.437045
  H      -5.787085     -6.982991      4.832872
  H      -4.906712     -6.573519      1.924404
  H      -4.699141     -8.013973      2.928025
  H      -2.661485     -3.821685      1.240444
  H      -4.300319     -4.483675      1.488714
  H      -1.645282     -5.564605      2.576231
  H      -2.693124     -6.381437      1.387362
  C      -3.979737     -2.289198      3.152016
  C      -4.425903     -1.768033      1.935322
  C      -4.915402     -0.471985      1.835912
  Cl     -5.420831      0.063295      0.276545
  C      -4.923151      0.382989      2.975201
  C      -5.537528      1.728313      2.986111
  O      -6.404296      2.106556      2.204522
  C      -5.077557      2.784337      4.008091
  O      -4.042069      2.765539      4.640836
  C      -4.441012     -0.140121      4.171354
  C      -4.030469     -1.482250      4.337182
  C      -3.914224     -1.884385      5.712829
  O      -3.942273     -3.066230      6.193280
  C      -6.658878     -4.078211      3.801609
  C      -6.822514     -2.963891      4.680458
  C      -7.673091     -1.918148      4.416752
  Cl     -7.733326     -0.637480      5.592061
  C      -8.459266     -1.875922      3.223194
  C      -9.329796     -0.769247      2.832274
  O      -9.759188      0.125936      3.566074
  C      -9.709524     -0.574317      1.353572
  O      -9.013504     -0.856400      0.399004
  C      -8.357842     -3.000511      2.397191
  C      -7.511254     -4.090549      2.636332
  C      -7.439169     -5.081629      1.560647
  O      -8.273503     -5.224684      0.669835
  C      -1.902233     -5.877671      7.147276
  C      -0.604401     -6.228434      7.609446
  C      -0.238198     -6.049632      8.928604
  Cl      1.420301     -6.351593      9.318710
  C      -1.156361     -5.577022      9.921774
  C      -0.837779     -5.472814     11.353104
  O       0.072197     -6.064457     11.930342
  C      -1.649716     -4.519358     12.255531
  O      -2.357323     -3.606324     11.887276
  C      -2.453235     -5.304534      9.484065
  C      -2.852137     -5.440547      8.146223
  C      -4.248065     -5.411553      7.863767
  O      -4.787253     -5.481481      6.726453
  H      -4.403361     -2.367373      1.028409
  H      -5.791219      3.643311      4.035001
  H      -4.467721      0.485190      5.062361
  H      -3.938380     -1.064602      6.446083
  H      -6.275269     -2.983491      5.620038
  H     -10.653685      0.015331      1.253529
  H      -8.939890     -3.041206      1.476950
  H      -6.512510     -5.698152      1.530431
  H       0.159100     -6.550159      6.903592
  H      -1.432183     -4.722427     13.332753
  H      -3.207347     -5.003710     10.210946
  H      -4.920299     -5.390452      8.740864
  N      -2.411135     -3.772526      4.156573
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.609315726077
  N      -3.428093     -3.605334      3.209381
  C      -3.309222     -4.366321      1.935799
  C      -2.689267     -5.714729      2.251646
  N      -3.393185     -6.373587      3.397257
  C      -4.722737     -6.919725      2.950031
  C      -5.835326     -6.430278      3.877373
  N      -5.720287     -5.007065      4.169984
  Mo     -3.727748     -4.744852      4.917938
  N      -2.281574     -5.967292      5.866657
  C      -1.506423     -6.777577      4.936091
  C      -2.513611     -7.424618      3.990458
  H      -0.948892     -7.573876      5.452388
  H      -0.775801     -6.155728      4.388286
  H      -3.155395     -8.098501      4.574125
  H      -2.023615     -8.007607      3.193206
  H      -6.818699     -6.694905      3.457270
  H      -5.756154     -6.972791      4.839494
  H      -4.900508     -6.583187      1.921023
  H      -4.681867     -8.018969      2.929601
  H      -2.678131     -3.815559      1.222260
  H      -4.316508     -4.469803      1.510533
  H      -1.643917     -5.565146      2.544614
  H      -2.714386     -6.372335      1.368542
  C      -3.969817     -2.283773      3.151403
  C      -4.475598     -1.784677      1.949849
  C      -4.973906     -0.490986      1.858183
  Cl     -5.536438      0.027287      0.311991
  C      -4.940974      0.377192      2.985592
  C      -5.568322      1.715415      3.007558
  O      -6.470705      2.077768      2.258731
  C      -5.072067      2.788604      3.992785
  O      -3.995356      2.801471      4.552820
  C      -4.412317     -0.128988      4.169913
  C      -3.987881     -1.466595      4.332462
  C      -3.870250     -1.874757      5.704152
  O      -3.917683     -3.064074      6.162995
  C      -6.622198     -4.068957      3.785894
  C      -6.733735     -2.927257      4.636052
  C      -7.577736     -1.875393      4.373067
  Cl     -7.567191     -0.559457      5.510397
  C      -8.412482     -1.859276      3.212733
  C      -9.297462     -0.760685      2.831758
  O      -9.687369      0.157763      3.558541
  C      -9.764525     -0.617832      1.372573
  O      -9.124523     -0.931388      0.389356
  C      -8.348141     -3.001291      2.407986
  C      -7.501301     -4.092733      2.641127
  C      -7.468025     -5.103856      1.582527
  O      -8.321870     -5.246120      0.710334
  C      -1.908910     -5.871447      7.151633
  C      -0.612998     -6.220428      7.621020
  C      -0.258615     -6.052909      8.944754
  Cl      1.399508     -6.345614      9.344363
  C      -1.186809     -5.593721      9.934754
  C      -0.882055     -5.503791     11.369542
  O       0.024900     -6.098193     11.949577
  C      -1.705564     -4.564289     12.274413
  O      -2.394759     -3.635718     11.909487
  C      -2.480365     -5.320116      9.488994
  C      -2.869229     -5.444321      8.146322
  C      -4.260626     -5.406914      7.851933
  O      -4.789504     -5.467571      6.708284
  H      -4.483359     -2.390727      1.047256
  H      -5.796204      3.637218      4.051275
  H      -4.419012      0.502198      5.057183
  H      -3.887570     -1.066961      6.450129
  H      -6.147886     -2.923919      5.552165
  H     -10.709503     -0.024358      1.307339
  H      -8.959765     -3.055337      1.507575
  H      -6.560079     -5.746585      1.552381
  H       0.158005     -6.529656      6.918175
  H      -1.494197     -4.774304     13.351495
  H      -3.240084     -5.026533     10.212911
  H      -4.943220     -5.392487      8.720943
  N      -2.373683     -3.773577      4.148816
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.609985971935
  N      -3.385061     -3.585621      3.186502
  C      -3.297611     -4.366635      1.922677
  C      -2.684159     -5.716519      2.238629
  N      -3.388358     -6.366877      3.386813
  C      -4.711720     -6.920283      2.937723
  C      -5.819977     -6.423830      3.863157
  N      -5.690957     -4.999862      4.147654
  Mo     -3.711984     -4.727439      4.900816
  N      -2.275591     -5.937486      5.865161
  C      -1.505235     -6.758739      4.938485
  C      -2.512205     -7.409869      3.996603
  H      -0.947969     -7.551618      5.459271
  H      -0.775994     -6.141624      4.384190
  H      -3.161245     -8.073348      4.583960
  H      -2.019531     -8.003903      3.209141
  H      -6.809563     -6.682013      3.457044
  H      -5.732483     -6.959480      4.828293
  H      -4.887412     -6.587017      1.907611
  H      -4.667214     -8.019258      2.922261
  H      -2.671914     -3.828027      1.194798
  H      -4.312915     -4.466376      1.518650
  H      -1.635107     -5.579785      2.524685
  H      -2.724563     -6.373174      1.355692
  C      -3.936137     -2.280737      3.133828
  C      -4.499704     -1.798533      1.949385
  C      -4.990526     -0.502472      1.863599
  Cl     -5.630671     -0.003735      0.339953
  C      -4.889359      0.387590      2.967429
  C      -5.499414      1.730909      2.995543
  O      -6.432918      2.094794      2.286717
  C      -4.945267      2.809218      3.941966
  O      -3.840618      2.818554      4.443313
  C      -4.316711     -0.104059      4.137448
  C      -3.907623     -1.446009      4.305209
  C      -3.803409     -1.854477      5.675387
  O      -3.887628     -3.046995      6.120976
  C      -6.599774     -4.063977      3.768384
  C      -6.741395     -2.942569      4.640629
  C      -7.622134     -1.914938      4.402213
  Cl     -7.671774     -0.636391      5.580699
  C      -8.458122     -1.901025      3.244732
  C      -9.393938     -0.833092      2.903409
  O      -9.807831      0.050517      3.659230
  C      -9.891782     -0.673030      1.456749
  O      -9.250799     -0.915592      0.455120
  C      -8.355750     -3.018570      2.411486
  C      -7.474361     -4.087066      2.620134
  C      -7.406930     -5.071154      1.537676
  O      -8.255542     -5.222072      0.662943
  C      -1.922457     -5.856546      7.156425
  C      -0.631513     -6.214426      7.635727
  C      -0.287491     -6.055616      8.962258
  Cl      1.365410     -6.357679      9.378165
  C      -1.220768     -5.596325      9.945756
  C      -0.927721     -5.514163     11.382069
  O      -0.026597     -6.112499     11.967008
  C      -1.752251     -4.572620     12.282087
  O      -2.436816     -3.642451     11.913599
  C      -2.508037     -5.311742      9.490733
  C      -2.888913     -5.427670      8.144391
  C      -4.276013     -5.372662      7.837878
  O      -4.794226     -5.425158      6.689691
  H      -4.554496     -2.416184      1.057465
  H      -5.668237      3.653152      4.051565
  H      -4.284692      0.540018      5.014336
  H      -3.806390     -1.053904      6.428475
  H      -6.166065     -2.942992      5.561847
  H     -10.856837     -0.110574      1.425799
  H      -8.966267     -3.071107      1.511026
  H      -6.491769     -5.702746      1.509576
  H       0.142433     -6.523945      6.937403
  H      -1.577999     -4.805880     13.360438
  H      -3.270597     -5.015987     10.209972
  H      -4.971058     -5.353234      8.696463
  N      -2.322539     -3.775804      4.143338
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.610557414582
  N      -3.355212     -3.564390      3.177478
  C      -3.280170     -4.358652      1.924222
  C      -2.677467     -5.710258      2.242325
  N      -3.385141     -6.353687      3.391644
  C      -4.713277     -6.904881      2.952907
  C      -5.814980     -6.394331      3.878143
  N      -5.677856     -4.969759      4.148710
  Mo     -3.695842     -4.704011      4.903870
  N      -2.260129     -5.918442      5.872395
  C      -1.497286     -6.736412      4.937492
  C      -2.509655     -7.392505      4.006587
  H      -0.930814     -7.528596      5.449832
  H      -0.776936     -6.116054      4.375778
  H      -3.158653     -8.051488      4.599266
  H      -2.018969     -7.994006      3.223190
  H      -6.808791     -6.651137      3.481520
  H      -5.723813     -6.922378      4.847599
  H      -4.889339     -6.579371      1.920284
  H      -4.673039     -8.003952      2.946404
  H      -2.659409     -3.831597      1.183005
  H      -4.301274     -4.455082      1.535225
  H      -1.625907     -5.586715      2.525158
  H      -2.728020     -6.364745      1.358092
  C      -3.936968     -2.279392      3.135610
  C      -4.542933     -1.814251      1.962789
  C      -5.054136     -0.526674      1.881877
  Cl     -5.751120     -0.049896      0.375294
  C      -4.925835      0.378306      2.970635
  C      -5.542245      1.717771      3.004215
  O      -6.496773      2.073890      2.320479
  C      -4.970050      2.801897      3.933506
  O      -3.842405      2.833242      4.378473
  C      -4.316063     -0.096201      4.128860
  C      -3.894473     -1.435071      4.300419
  C      -3.780946     -1.835060      5.671767
  O      -3.865965     -3.025269      6.125481
  C      -6.581814     -4.034094      3.761918
  C      -6.698620     -2.884782      4.602782
  C      -7.571447     -1.855726      4.345556
  Cl     -7.591137     -0.541024      5.485580
  C      -8.428533     -1.869050      3.203401
  C      -9.374030     -0.812459      2.855852
  O      -9.763333      0.097699      3.593135
  C      -9.928519     -0.704552      1.424795
  O      -9.348988     -1.020826      0.406732
  C      -8.345310     -3.008309      2.398423
  C      -7.468491     -4.077045      2.623256
  C      -7.416734     -5.088304      1.565180
  O      -8.248692     -5.224620      0.672846
  C      -1.916045     -5.859310      7.166635
  C      -0.631842     -6.242644      7.648328
  C      -0.289913     -6.103035      8.976567
  Cl      1.356849     -6.433688      9.397500
  C      -1.219669     -5.640561      9.961209
  C      -0.934612     -5.582180     11.400118
  O      -0.049533     -6.204523     11.983890
  C      -1.756293     -4.645324     12.308642
  O      -2.397929     -3.681052     11.952008
  C      -2.499653     -5.329892      9.503235
  C      -2.878486     -5.426705      8.154709
  C      -4.265137     -5.349545      7.846449
  O      -4.784672     -5.387569      6.700370
  H      -4.613250     -2.440151      1.078188
  H      -5.695549      3.641427      4.059102
  H      -4.263274      0.558906      4.996503
  H      -3.776916     -1.029679      6.419747
  H      -6.109137     -2.861179      5.514163
  H     -10.925703     -0.199743      1.417043
  H      -8.967628     -3.078709      1.507651
  H      -6.500251     -5.719202      1.540970
  H       0.138911     -6.556001      6.948346
  H      -1.584151     -4.892970     13.384070
  H      -3.260776     -5.030660     10.222306
  H      -4.962815     -5.320144      8.703053
  N      -2.305783     -3.756058      4.126669
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.610410749257
  N      -3.341293     -3.564522      3.169208
  C      -3.254576     -4.360446      1.918891
  C      -2.657377     -5.712770      2.240974
  N      -3.371958     -6.357025      3.387336
  C      -4.698166     -6.913897      2.949631
  C      -5.804825     -6.399485      3.868124
  N      -5.670908     -4.973834      4.135271
  Mo     -3.690666     -4.704205      4.896337
  N      -2.247497     -5.907167      5.869465
  C      -1.486791     -6.730472      4.937212
  C      -2.495981     -7.392193      4.008219
  H      -0.920769     -7.521937      5.451894
  H      -0.766518     -6.111737      4.373651
  H      -3.142802     -8.051117      4.603786
  H      -2.001730     -7.997235      3.229146
  H      -6.797019     -6.656494      3.466024
  H      -5.718608     -6.925733      4.839562
  H      -4.872937     -6.595252      1.914313
  H      -4.654654     -8.013065      2.950052
  H      -2.631768     -3.835192      1.177843
  H      -4.274229     -4.458259      1.524771
  H      -1.607043     -5.591674      2.528478
  H      -2.704206     -6.364935      1.354141
  C      -3.933631     -2.281762      3.132246
  C      -4.536491     -1.817442      1.955918
  C      -5.060684     -0.535640      1.873723
  Cl     -5.772705     -0.071000      0.370129
  C      -4.940829      0.372578      2.963306
  C      -5.556488      1.714170      2.992304
  O      -6.495874      2.077305      2.291506
  C      -4.979965      2.801477      3.916737
  O      -3.857985      2.820164      4.378605
  C      -4.333833     -0.099849      4.123885
  C      -3.906496     -1.437551      4.296885
  C      -3.795525     -1.838364      5.667250
  O      -3.867116     -3.030730      6.121605
  C      -6.582432     -4.038544      3.764038
  C      -6.673014     -2.879009      4.594765
  C      -7.534106     -1.839950      4.339883
  Cl     -7.496247     -0.502550      5.453054
  C      -8.415726     -1.855588      3.214165
  C      -9.358599     -0.792648      2.871968
  O      -9.720243      0.134216      3.603538
  C      -9.964007     -0.712069      1.459385
  O      -9.401066     -1.003077      0.423721
  C      -8.360244     -3.005922      2.421896
  C      -7.487056     -4.080079      2.638863
  C      -7.459292     -5.096710      1.584168
  O      -8.310058     -5.236236      0.708951
  C      -1.909930     -5.855382      7.166869
  C      -0.627207     -6.238184      7.653993
  C      -0.291827     -6.104311      8.984591
  Cl      1.352770     -6.438285      9.411323
  C      -1.228128     -5.645408      9.966689
  C      -0.950888     -5.583021     11.408617
  O      -0.063363     -6.196731     11.998143
  C      -1.773542     -4.636716     12.307953
  O      -2.433654     -3.688218     11.940131
  C      -2.506744     -5.337287      9.502437
  C      -2.878097     -5.431077      8.151832
  C      -4.265782     -5.357188      7.838288
  O      -4.782016     -5.393285      6.691112
  H      -4.598925     -2.444524      1.070616
  H      -5.712787      3.632245      4.062698
  H      -4.283825      0.556617      4.991380
  H      -3.793034     -1.032275      6.414653
  H      -6.063032     -2.849592      5.493396
  H     -10.927861     -0.145229      1.475728
  H      -8.998609     -3.078491      1.542398
  H      -6.541115     -5.724762      1.540155
  H       0.147441     -6.549047      6.956122
  H      -1.649747     -4.910155     13.384561
  H      -3.273695     -5.042733     10.218129
  H      -4.965604     -5.332277      8.694066
  N      -2.309560     -3.743668      4.104756
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.610831660574
  N      -3.344499     -3.572710      3.159548
  C      -3.247210     -4.366265      1.908599
  C      -2.647485     -5.717371      2.235503
  N      -3.366207     -6.363945      3.379097
  C      -4.686363     -6.924884      2.930943
  C      -5.800642     -6.416321      3.843098
  N      -5.671893     -4.990707      4.118342
  Mo     -3.696679     -4.711532      4.885113
  N      -2.251141     -5.904699      5.863417
  C      -1.488048     -6.736166      4.939588
  C      -2.492025     -7.398747      4.005290
  H      -0.929123     -7.527184      5.462519
  H      -0.761454     -6.122086      4.378801
  H      -3.139963     -8.057597      4.599816
  H      -1.993675     -8.004494      3.229261
  H      -6.789270     -6.672041      3.431366
  H      -5.720979     -6.947085      4.812648
  H      -4.857563     -6.604494      1.895288
  H      -4.638359     -8.023914      2.929723
  H      -2.621037     -3.839109      1.172009
  H      -4.263272     -4.468120      1.504290
  H      -1.599347     -5.591520      2.528193
  H      -2.686930     -6.370019      1.348450
  C      -3.920692     -2.281021      3.121903
  C      -4.502605     -1.805595      1.939220
  C      -5.014779     -0.519576      1.853873
  Cl     -5.717916     -0.050658      0.347494
  C      -4.898063      0.385980      2.947625
  C      -5.495512      1.736800      2.969248
  O      -6.419838      2.113360      2.255206
  C      -4.919604      2.816061      3.904238
  O      -3.793240      2.835047      4.356883
  C      -4.312073     -0.097087      4.114717
  C      -3.900150     -1.439151      4.288513
  C      -3.801586     -1.844976      5.657785
  O      -3.876980     -3.039466      6.107530
  C      -6.596358     -4.058733      3.767651
  C      -6.717372     -2.930565      4.635625
  C      -7.595944     -1.899369      4.407978
  Cl     -7.591108     -0.600302      5.565780
  C      -8.464015     -1.891125      3.270878
  C      -9.416316     -0.829408      2.948405
  O      -9.793278      0.074516      3.700742
  C      -9.988179     -0.701205      1.525275
  O      -9.400606     -0.954857      0.492792
  C      -8.381350     -3.015116      2.443312
  C      -7.491467     -4.080742      2.634511
  C      -7.433524     -5.059067      1.544978
  O      -8.296302     -5.217435      0.683957
  C      -1.918155     -5.849433      7.162555
  C      -0.635286     -6.223373      7.654985
  C      -0.305967     -6.085898      8.987140
  Cl      1.337920     -6.413925      9.419814
  C      -1.248557     -5.627872      9.964973
  C      -0.973887     -5.552056     11.407596
  O      -0.086372     -6.159783     12.004005
  C      -1.805713     -4.605745     12.298217
  O      -2.432273     -3.636332     11.924430
  C      -2.528062     -5.330958      9.495600
  C      -2.892998     -5.429984      8.143689
  C      -4.279907     -5.364536      7.824536
  O      -4.790293     -5.405107      6.673904
  H      -4.561636     -2.430605      1.051484
  H      -5.630041      3.672326      4.008715
  H      -4.265424      0.555517      4.985500
  H      -3.800625     -1.041793      6.408199
  H      -6.120016     -2.922580      5.543781
  H     -10.965188     -0.156859      1.538904
  H      -9.009093     -3.069890      1.554498
  H      -6.506631     -5.673481      1.492518
  H       0.143986     -6.532325      6.960958
  H      -1.640114     -4.839319     13.378761
  H      -3.300183     -5.039726     10.207525
  H      -4.982243     -5.345877      8.678373
  N      -2.312016     -3.748124      4.109780
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.610904407354
  N      -3.348977     -3.562818      3.154826
  C      -3.271408     -4.364242      1.909651
  C      -2.668506     -5.713831      2.239252
  N      -3.377441     -6.353232      3.391882
  C      -4.705208     -6.906898      2.954254
  C      -5.809701     -6.390462      3.873336
  N      -5.672299     -4.964133      4.136654
  Mo     -3.690026     -4.692437      4.896444
  N      -2.246498     -5.899054      5.871510
  C      -1.487159     -6.723814      4.939593
  C      -2.500522     -7.387830      4.014702
  H      -0.919498     -7.513413      5.454791
  H      -0.768030     -6.105812      4.373370
  H      -3.146157     -8.044077      4.614355
  H      -2.009251     -7.996299      3.236606
  H      -6.801705     -6.646503      3.470791
  H      -5.725410     -6.915901      4.845274
  H      -4.881840     -6.588012      1.918877
  H      -4.664159     -8.005934      2.955356
  H      -2.655071     -3.844619      1.159483
  H      -4.293148     -4.467913      1.520078
  H      -1.617257     -5.589063      2.521426
  H      -2.717681     -6.371164      1.356482
  C      -3.931304     -2.278190      3.121117
  C      -4.531743     -1.809599      1.944731
  C      -5.045915     -0.524997      1.860536
  Cl     -5.757114     -0.058987      0.356896
  C      -4.917050      0.384797      2.948862
  C      -5.516310      1.733258      2.974214
  O      -6.452579      2.106748      2.274689
  C      -4.942885      2.811738      3.912043
  O      -3.818970      2.832206      4.368946
  C      -4.313348     -0.091529      4.109489
  C      -3.894591     -1.430733      4.284827
  C      -3.776403     -1.825815      5.656655
  O      -3.857978     -3.014342      6.118775
  C      -6.587102     -4.032240      3.768251
  C      -6.711865     -2.890785      4.617182
  C      -7.591415     -1.865238      4.367492
  Cl     -7.603649     -0.551221      5.508471
  C      -8.453467     -1.877602      3.227043
  C      -9.407148     -0.825467      2.885432
  O      -9.789712      0.089044      3.621341
  C      -9.980135     -0.723412      1.460743
  O      -9.404004     -1.017399      0.433130
  C      -8.362453     -3.012544      2.415109
  C      -7.474170     -4.073673      2.630875
  C      -7.399074     -5.069192      1.559172
  O      -8.240845     -5.233426      0.679764
  C      -1.910529     -5.852414      7.168788
  C      -0.631481     -6.247515      7.655278
  C      -0.295444     -6.119694      8.986363
  Cl      1.345249     -6.471380      9.412950
  C      -1.227246     -5.654216      9.969724
  C      -0.949490     -5.599147     11.411232
  O      -0.066038     -6.220396     11.998883
  C      -1.770641     -4.656465     12.314971
  O      -2.409427     -3.691539     11.952606
  C      -2.502729     -5.333503      9.506543
  C      -2.874442     -5.420378      8.155448
  C      -4.260164     -5.336482      7.843800
  O      -4.777539     -5.370509      6.696013
  H      -4.597035     -2.438190      1.060257
  H      -5.672851      3.645040      4.055577
  H      -4.255927      0.565276      4.976112
  H      -3.770660     -1.016394      6.400322
  H      -6.119326     -2.867174      5.527668
  H     -10.979654     -0.222201      1.467164
  H      -8.983073     -3.080874      1.522256
  H      -6.470730     -5.684400      1.533864
  H       0.140817     -6.562223      6.956775
  H      -1.635063     -4.925222     13.391100
  H      -3.267346     -5.033513     10.222631
  H      -4.957942     -5.307127      8.700561
  N      -2.303909     -3.745739      4.125798
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.611116740643
  N      -3.336318     -3.562783      3.151682
  C      -3.258185     -4.366114      1.907602
  C      -2.659311     -5.716815      2.238522
  N      -3.371650     -6.354634      3.389973
  C      -4.697980     -6.910340      2.952567
  C      -5.803352     -6.389919      3.868006
  N      -5.663464     -4.963303      4.128570
  Mo     -3.684670     -4.691613      4.892086
  N      -2.241759     -5.891457      5.870884
  C      -1.483115     -6.719684      4.940759
  C      -2.495267     -7.386844      4.016843
  H      -0.915478     -7.508196      5.457618
  H      -0.764468     -6.102697      4.372995
  H      -3.140917     -8.041490      4.618309
  H      -2.002523     -7.997993      3.241631
  H      -6.795219     -6.644156      3.463840
  H      -5.721884     -6.913356      4.841307
  H      -4.873295     -6.595251      1.915882
  H      -4.656895     -8.009469      2.957786
  H      -2.640788     -3.848122      1.157114
  H      -4.279802     -4.468305      1.517808
  H      -1.608242     -5.594186      2.522394
  H      -2.708106     -6.373720      1.355316
  C      -3.926294     -2.279940      3.117788
  C      -4.532501     -1.816494      1.942378
  C      -5.052127     -0.534079      1.856581
  Cl     -5.775116     -0.076567      0.356009
  C      -4.919886      0.379867      2.941431
  C      -5.518540      1.728991      2.964010
  O      -6.452741      2.103070      2.262052
  C      -4.942800      2.808873      3.898726
  O      -3.811486      2.837821      4.336999
  C      -4.311045     -0.091838      4.101215
  C      -3.889951     -1.430208      4.278825
  C      -3.770353     -1.825003      5.650053
  O      -3.849630     -3.015014      6.110410
  C      -6.580767     -4.030556      3.766487
  C      -6.700450     -2.888801      4.615844
  C      -7.581522     -1.863204      4.371754
  Cl     -7.585607     -0.549095      5.512584
  C      -8.453740     -1.877033      3.238599
  C      -9.414985     -0.827916      2.907431
  O      -9.791776      0.085825      3.647633
  C     -10.016368     -0.735726      1.493879
  O      -9.445253     -0.998777      0.454975
  C      -8.367311     -3.012060      2.426222
  C      -7.474675     -4.071298      2.634120
  C      -7.404549     -5.064405      1.559739
  O      -8.239082     -5.209303      0.669853
  C      -1.910707     -5.850113      7.170271
  C      -0.633654     -6.246684      7.660747
  C      -0.302405     -6.122554      8.993458
  Cl      1.336381     -6.476832      9.424891
  C      -1.237917     -5.658420      9.974319
  C      -0.965165     -5.603767     11.417295
  O      -0.084687     -6.226297     12.008225
  C      -1.791927     -4.663616     12.318579
  O      -2.415674     -3.688848     11.955589
  C      -2.511729     -5.336929      9.506882
  C      -2.878424     -5.421109      8.154193
  C      -4.263748     -5.336613      7.838062
  O      -4.777621     -5.368570      6.688837
  H      -4.599734     -2.448008      1.060084
  H      -5.667244      3.648840      4.031650
  H      -4.251595      0.567342      4.966021
  H      -3.762529     -1.016278      6.394401
  H      -6.102085     -2.864413      5.522454
  H     -11.003619     -0.211137      1.517535
  H      -8.995196     -3.081726      1.538676
  H      -6.459491     -5.651561      1.506872
  H       0.141362     -6.560089      6.964521
  H      -1.653190     -4.928207     13.395433
  H      -3.279375     -5.038850     10.220557
  H      -4.963723     -5.308786      8.693278
  N      -2.295857     -3.745895      4.109538
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.610891128732
  N      -3.322002     -3.561810      3.147970
  C      -3.238758     -4.364299      1.903044
  C      -2.644786     -5.716820      2.234210
  N      -3.361764     -6.355167      3.383076
  C      -4.685153     -6.915701      2.945233
  C      -5.794628     -6.391632      3.853984
  N      -5.653991     -4.964654      4.114237
  Mo     -3.679931     -4.691942      4.883557
  N      -2.234745     -5.879916      5.865933
  C      -1.476396     -6.713043      4.938694
  C      -2.485151     -7.384163      4.014292
  H      -0.909887     -7.500553      5.458390
  H      -0.757488     -6.097258      4.370185
  H      -3.129819     -8.038420      4.617436
  H      -1.989335     -7.997290      3.242269
  H      -6.784885     -6.643163      3.443247
  H      -5.719826     -6.914349      4.828320
  H      -4.858473     -6.606320      1.906617
  H      -4.642115     -8.014973      2.956148
  H      -2.618278     -3.846054      1.155219
  H      -4.258820     -4.464333      1.509017
  H      -1.594539     -5.595601      2.521540
  H      -2.690988     -6.372145      1.349393
  C      -3.918031     -2.277534      3.115372
  C      -4.525491     -1.816628      1.939738
  C      -5.053155     -0.537230      1.853539
  Cl     -5.790920     -0.089163      0.357566
  C      -4.922147      0.378715      2.937874
  C      -5.520910      1.728772      2.958410
  O      -6.443078      2.107931      2.243274
  C      -4.940786      2.811304      3.887596
  O      -3.808828      2.836855      4.325909
  C      -4.311528     -0.090743      4.097609
  C      -3.887543     -1.428502      4.275562
  C      -3.770379     -1.826649      5.645205
  O      -3.844157     -3.019986      6.100556
  C      -6.576736     -4.031002      3.764884
  C      -6.681314     -2.886031      4.612024
  C      -7.557739     -1.855079      4.373958
  Cl     -7.531911     -0.533044      5.505163
  C      -8.446128     -1.868606      3.252101
  C      -9.407381     -0.815879      2.928887
  O      -9.760188      0.110820      3.665326
  C     -10.033662     -0.730764      1.525637
  O      -9.484725     -1.007211      0.477705
  C      -8.376630     -3.008155      2.444205
  C      -7.483452     -4.069299      2.642069
  C      -7.428672     -5.063527      1.567389
  O      -8.303295     -5.253191      0.724889
  C      -1.910121     -5.845541      7.168397
  C      -0.634556     -6.239414      7.664649
  C      -0.310954     -6.119913      8.999936
  Cl      1.326292     -6.472707      9.437781
  C      -1.253825     -5.661031      9.977335
  C      -0.988165     -5.603799     11.422642
  O      -0.106575     -6.220733     12.018272
  C      -1.820820     -4.662950     12.318149
  O      -2.438631     -3.685516     11.950261
  C      -2.526630     -5.343886      9.503585
  C      -2.885275     -5.425382      8.148524
  C      -4.270502     -5.344884      7.825681
  O      -4.779009     -5.374732      6.674051
  H      -4.592549     -2.449832      1.058312
  H      -5.666519      3.649342      4.028404
  H      -4.253725      0.568512      4.962850
  H      -3.761232     -1.020374      6.392209
  H      -6.070536     -2.860560      5.510685
  H     -11.024625     -0.213350      1.564584
  H      -9.016424     -3.078320      1.565148
  H      -6.502272     -5.680817      1.526916
  H       0.145846     -6.548343      6.971919
  H      -1.692071     -4.928918     13.396260
  H      -3.300105     -5.051556     10.213629
  H      -4.973472     -5.323459      8.679058
  N      -2.293795     -3.740846      4.083766
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.611298348431
  N      -3.330161     -3.562102      3.143728
  C      -3.251200     -4.367023      1.901134
  C      -2.652695     -5.717588      2.234812
  N      -3.364955     -6.354025      3.387439
  C      -4.690128     -6.913410      2.951518
  C      -5.798495     -6.388869      3.861686
  N      -5.657598     -4.961426      4.119187
  Mo     -3.680774     -4.687885      4.886501
  N      -2.235380     -5.881104      5.868786
  C      -1.476217     -6.711357      4.940275
  C      -2.486899     -7.382720      4.017612
  H      -0.907650     -7.498113      5.458682
  H      -0.758668     -6.094322      4.371275
  H      -3.130923     -8.036980      4.621349
  H      -1.992638     -7.995556      3.244576
  H      -6.788881     -6.642252      3.452877
  H      -5.722526     -6.910288      4.836533
  H      -4.864695     -6.604459      1.912870
  H      -4.647892     -8.012531      2.962921
  H      -2.633798     -3.850667      1.149475
  H      -4.272265     -4.470098      1.509935
  H      -1.601790     -5.593881      2.518661
  H      -2.700614     -6.375781      1.352386
  C      -3.920664     -2.278309      3.111843
  C      -4.528216     -1.815510      1.936660
  C      -5.051234     -0.534595      1.850755
  Cl     -5.783783     -0.082590      0.353376
  C      -4.918094      0.380648      2.935140
  C      -5.514723      1.730834      2.956571
  O      -6.440354      2.110398      2.246137
  C      -4.939975      2.810334      3.892815
  O      -3.807580      2.841045      4.328748
  C      -4.307629     -0.090266      4.094333
  C      -3.885262     -1.428136      4.272547
  C      -3.765365     -1.822525      5.643655
  O      -3.844054     -3.012877      6.104302
  C      -6.579653     -4.029330      3.766519
  C      -6.692654     -2.887144      4.615714
  C      -7.573395     -1.860102      4.375769
  Cl     -7.561467     -0.541408      5.511138
  C      -8.454726     -1.874660      3.249137
  C      -9.415785     -0.824091      2.921626
  O      -9.777082      0.099563      3.657471
  C     -10.031473     -0.736662      1.513917
  O      -9.473279     -1.008244      0.469941
  C      -8.376240     -3.011765      2.438374
  C      -7.481321     -4.070115      2.640173
  C      -7.414730     -5.062046      1.564521
  O      -8.269593     -5.234011      0.698853
  C      -1.909663     -5.846178      7.170044
  C      -0.634851     -6.245005      7.664395
  C      -0.308720     -6.125919      8.998945
  Cl      1.327898     -6.484291      9.434809
  C      -1.247774     -5.663723      9.977892
  C      -0.980074     -5.610859     11.422224
  O      -0.099216     -6.231071     12.015257
  C      -1.808478     -4.670060     12.321326
  O      -2.428104     -3.693041     11.956539
  C      -2.519739     -5.340812      9.506458
  C      -2.881118     -5.420749      8.151963
  C      -4.265498     -5.335637      7.831738
  O      -4.775962     -5.365548      6.680709
  H      -4.596200     -2.448395      1.055210
  H      -5.667252      3.647019      4.031763
  H      -4.247922      0.568876      4.959321
  H      -3.755948     -1.013753      6.387963
  H      -6.086615     -2.861274      5.517497
  H     -11.025082     -0.224397      1.546548
  H      -9.010299     -3.081795      1.555111
  H      -6.474300     -5.657218      1.515121
  H       0.143178     -6.556465      6.970445
  H      -1.682495     -4.941374     13.398189
  H      -3.290488     -5.044809     10.217813
  H      -4.967315     -5.310169      8.685616
  N      -2.293589     -3.741790      4.100309
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.611302818606
  N      -3.329615     -3.561624      3.140684
  C      -3.255662     -4.368863      1.899610
  C      -2.656895     -5.719048      2.234449
  N      -3.366607     -6.352727      3.389867
  C      -4.692902     -6.912394      2.957697
  C      -5.799536     -6.383889      3.867395
  N      -5.655469     -4.956016      4.120279
  Mo     -3.678630     -4.683328      4.886755
  N      -2.232606     -5.874845      5.869392
  C      -1.474397     -6.705130      4.939800
  C      -2.486796     -7.379407      4.020665
  H      -0.903079     -7.490352      5.457315
  H      -0.759631     -6.087380      4.368188
  H      -3.129101     -8.032600      4.627349
  H      -1.993701     -7.993856      3.248177
  H      -6.790275     -6.636670      3.459250
  H      -5.724509     -6.902784      4.843636
  H      -4.869158     -6.606957      1.918199
  H      -4.651819     -8.011476      2.972973
  H      -2.640409     -3.854644      1.144735
  H      -4.277971     -4.472113      1.511700
  H      -1.605276     -5.594998      2.515534
  H      -2.707014     -6.379064      1.353572
  C      -3.922283     -2.278580      3.109130
  C      -4.535366     -1.818826      1.935748
  C      -5.058900     -0.538166      1.848902
  Cl     -5.798187     -0.090203      0.353736
  C      -4.920556      0.379526      2.930684
  C      -5.515161      1.730357      2.951448
  O      -6.439093      2.112278      2.240124
  C      -4.941488      2.808738      3.889618
  O      -3.811146      2.836773      4.330969
  C      -4.305126     -0.088848      4.088245
  C      -3.881921     -1.426183      4.267890
  C      -3.756288     -1.817770      5.639319
  O      -3.835620     -3.007304      6.102241
  C      -6.577203     -4.024035      3.767527
  C      -6.692138     -2.881187      4.615220
  C      -7.574608     -1.855989      4.373234
  Cl     -7.567751     -0.537115      5.508364
  C      -8.455155     -1.873551      3.246123
  C      -9.417271     -0.825061      2.916482
  O      -9.779045      0.100724      3.649448
  C     -10.037259     -0.744037      1.510493
  O      -9.478119     -1.010535      0.465714
  C      -8.373578     -3.011081      2.436000
  C      -7.476937     -4.067231      2.640031
  C      -7.402140     -5.058034      1.564046
  O      -8.251658     -5.231582      0.693649
  C      -1.908003     -5.844228      7.171067
  C      -0.634716     -6.247526      7.665649
  C      -0.309203     -6.132128      9.000685
  Cl      1.326142     -6.495714      9.436854
  C      -1.247659     -5.669528      9.979928
  C      -0.981072     -5.621071     11.424501
  O      -0.102857     -6.245482     12.017067
  C      -1.812535     -4.685822     12.326265
  O      -2.420448     -3.699903     11.965807
  C      -2.518258     -5.341986      9.508278
  C      -2.878960     -5.418114      8.153292
  C      -4.262863     -5.329511      7.832920
  O      -4.773281     -5.357464      6.681758
  H      -4.606666     -2.453925      1.056175
  H      -5.676914      3.634709      4.047944
  H      -4.241333      0.572183      4.951489
  H      -3.742947     -1.007796      6.382193
  H      -6.087378     -2.853412      5.517704
  H     -11.033492     -0.237136      1.544548
  H      -9.005931     -3.082569      1.551623
  H      -6.455043     -5.643016      1.514020
  H       0.143359     -6.559040      6.971887
  H      -1.681427     -4.957026     13.402451
  H      -3.288757     -5.045376     10.219608
  H      -4.964451     -5.302877      8.686882
  N      -2.291049     -3.741595      4.095254
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.611366535814
  N      -3.326008     -3.560210      3.134161
  C      -3.258876     -4.371219      1.895779
  C      -2.659858     -5.720722      2.233119
  N      -3.365765     -6.349854      3.392937
  C      -4.693401     -6.911064      2.966925
  C      -5.798432     -6.375298      3.874091
  N      -5.649294     -4.946663      4.119338
  Mo     -3.673072     -4.674757      4.885721
  N      -2.225330     -5.861635      5.869887
  C      -1.468068     -6.691792      4.938730
  C      -2.482514     -7.372151      4.025548
  H      -0.891598     -7.473905      5.454899
  H      -0.758522     -6.072324      4.362719
  H      -3.121488     -8.023779      4.637383
  H      -1.990579     -7.989350      3.254502
  H      -6.789153     -6.626892      3.465275
  H      -5.726741     -6.889856      4.852832
  H      -4.871870     -6.613071      1.925514
  H      -4.653732     -8.010023      2.990174
  H      -2.646600     -3.860514      1.136095
  H      -4.282731     -4.474875      1.512181
  H      -1.607272     -5.595767      2.510239
  H      -2.712834     -6.383884      1.354862
  C      -3.923033     -2.278483      3.103522
  C      -4.545373     -1.823946      1.933173
  C      -5.070533     -0.544023      1.844704
  Cl     -5.822337     -0.103878      0.353737
  C      -4.923630      0.378006      2.922022
  C      -5.514614      1.730120      2.940980
  O      -6.435656      2.115835      2.227907
  C      -4.946361      2.805691      3.885660
  O      -3.808423      2.849143      4.305701
  C      -4.300123     -0.086169      4.076946
  C      -3.875078     -1.422488      4.259020
  C      -3.739851     -1.809443      5.630883
  O      -3.819666     -2.997756      6.097552
  C      -6.572239     -4.015158      3.769980
  C      -6.687412     -2.870960      4.615180
  C      -7.573241     -1.848663      4.372174
  Cl     -7.569581     -0.528409      5.505586
  C      -8.456716     -1.871739      3.247493
  C      -9.421312     -0.826549      2.916848
  O      -9.778747      0.105365      3.644289
  C     -10.054631     -0.757604      1.516529
  O      -9.498926     -1.017040      0.468091
  C      -8.373427     -3.010701      2.439000
  C      -7.472930     -4.062835      2.643867
  C      -7.388454     -5.052659      1.568006
  O      -8.235670     -5.235551      0.697615
  C      -1.904271     -5.840105      7.172732
  C      -0.634129     -6.251216      7.668871
  C      -0.311365     -6.143525      9.005246
  Cl      1.321274     -6.516380      9.443425
  C      -1.250235     -5.681645      9.984396
  C      -0.987626     -5.641917     11.429801
  O      -0.110822     -6.269147     12.021489
  C      -1.822152     -4.712897     12.334713
  O      -2.429268     -3.725041     11.978095
  C      -2.517908     -5.345929      9.511135
  C      -2.875734     -5.414299      8.154798
  C      -4.258533     -5.319942      7.832749
  O      -4.767648     -5.343921      6.680785
  H      -4.621956     -2.462877      1.056834
  H      -5.682812      3.631112      4.041197
  H      -4.229822      0.577872      4.937337
  H      -3.719614     -0.997519      6.371367
  H      -6.081157     -2.839332      5.516453
  H     -11.056747     -0.263119      1.557171
  H      -9.006421     -3.085163      1.555307
  H      -6.432498     -5.623918      1.517209
  H       0.145083     -6.561903      6.976154
  H      -1.709833     -5.000981     13.408550
  H      -3.288993     -5.049146     10.221741
  H      -4.960564     -5.292231      8.686231
  N      -2.285346     -3.739769      4.084299
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.611415920282
  N      -3.318607     -3.559731      3.122389
  C      -3.246785     -4.372867      1.886392
  C      -2.647542     -5.721253      2.228928
  N      -3.354094     -6.348065      3.389882
  C      -4.680097     -6.913887      2.964455
  C      -5.790351     -6.373436      3.863508
  N      -5.641334     -4.943930      4.105817
  Mo     -3.667412     -4.668609      4.877876
  N      -2.217699     -5.848703      5.868449
  C      -1.457132     -6.678420      4.939209
  C      -2.468612     -7.365153      4.027331
  H      -0.877775     -7.457315      5.456825
  H      -0.750219     -6.056971      4.362265
  H      -3.105867     -8.016730      4.641077
  H      -1.973677     -7.983675      3.259207
  H      -6.778450     -6.625196      3.448020
  H      -5.726286     -6.885535      4.844036
  H      -4.855957     -6.624469      1.920233
  H      -4.638906     -8.012603      2.996236
  H      -2.632419     -3.863816      1.127176
  H      -4.268770     -4.478215      1.498659
  H      -1.595625     -5.593945      2.507524
  H      -2.697864     -6.387132      1.352555
  C      -3.915064     -2.277864      3.091634
  C      -4.537105     -1.823927      1.920638
  C      -5.061807     -0.544035      1.830352
  Cl     -5.817894     -0.108209      0.340616
  C      -4.913556      0.379684      2.906557
  C      -5.500098      1.733517      2.922995
  O      -6.405686      2.128553      2.195211
  C      -4.935190      2.807461      3.871795
  O      -3.795333      2.856119      4.286270
  C      -4.290746     -0.084080      4.062044
  C      -3.866799     -1.420375      4.246406
  C      -3.731644     -1.804636      5.619130
  O      -3.812887     -2.991937      6.088601
  C      -6.571404     -4.014419      3.769720
  C      -6.679845     -2.871675      4.617345
  C      -7.570313     -1.850868      4.384095
  Cl     -7.554109     -0.529753      5.516366
  C      -8.466726     -1.875412      3.269602
  C      -9.434501     -0.830585      2.947903
  O      -9.776236      0.109297      3.672870
  C     -10.087723     -0.765380      1.556681
  O      -9.542863     -1.017099      0.500580
  C      -8.391900     -3.015092      2.460677
  C      -7.486066     -4.064250      2.654750
  C      -7.410754     -5.054851      1.579193
  O      -8.269503     -5.247142      0.722479
  C      -1.904691     -5.834470      7.173288
  C      -0.638147     -6.249634      7.675330
  C      -0.322833     -6.148176      9.013952
  Cl      1.306695     -6.526102      9.459292
  C      -1.266501     -5.688792      9.989981
  C      -1.012297     -5.655307     11.437097
  O      -0.134995     -6.280250     12.030640
  C      -1.848013     -4.726033     12.340505
  O      -2.447060     -3.733097     11.983938
  C      -2.530807     -5.349285      9.510744
  C      -2.881079     -5.411621      8.151984
  C      -4.261846     -5.315133      7.823466
  O      -4.765426     -5.336822      6.668781
  H      -4.614353     -2.464502      1.045495
  H      -5.673469      3.631031      4.028707
  H      -4.219304      0.580917      4.921674
  H      -3.708824     -0.991278      6.357983
  H      -6.062248     -2.838077      5.511122
  H     -11.094653     -0.282080      1.611229
  H      -9.035710     -3.090929      1.584908
  H      -6.450676     -5.618062      1.516636
  H       0.145185     -6.558296      6.986277
  H      -1.749174     -5.022098     13.413534
  H      -3.305751     -5.054231     10.217901
  H      -4.967842     -5.288385      8.673705
  N      -2.279747     -3.735115      4.076734
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.611445874122
  N      -3.320581     -3.560594      3.117893
  C      -3.252770     -4.375492      1.882976
  C      -2.651936     -5.723061      2.226210
  N      -3.353788     -6.347434      3.391344
  C      -4.680307     -6.917030      2.972066
  C      -5.789984     -6.372261      3.869426
  N      -5.639187     -4.941710      4.104484
  Mo     -3.665973     -4.664589      4.876210
  N      -2.212960     -5.839711      5.867676
  C      -1.452556     -6.669029      4.937500
  C      -2.464417     -7.360531      4.029496
  H      -0.869316     -7.445428      5.454310
  H      -0.749606     -6.045905      4.357750
  H      -3.098455     -8.012016      4.646656
  H      -1.969592     -7.979973      3.261998
  H      -6.777959     -6.625167      3.454566
  H      -5.726673     -6.880092      4.852241
  H      -4.858967     -6.634568      1.926325
  H      -4.638007     -8.015460      3.010988
  H      -2.640503     -3.867603      1.121278
  H      -4.275761     -4.481615      1.498084
  H      -1.599170     -5.594115      2.500712
  H      -2.704770     -6.391273      1.351783
  C      -3.916413     -2.278285      3.087863
  C      -4.543978     -1.826107      1.919120
  C      -5.068486     -0.546081      1.828842
  Cl     -5.834056     -0.114301      0.342943
  C      -4.914027      0.379689      2.902639
  C      -5.496414      1.735084      2.918828
  O      -6.397439      2.135552      2.188270
  C      -4.937690      2.804603      3.876145
  O      -3.797304      2.857328      4.288864
  C      -4.286831     -0.082877      4.056277
  C      -3.862822     -1.419011      4.241199
  C      -3.722929     -1.801001      5.613992
  O      -3.804809     -2.987600      6.085412
  C      -6.570597     -4.012839      3.770674
  C      -6.676218     -2.868150      4.615856
  C      -7.566262     -1.847202      4.381542
  Cl     -7.546439     -0.523071      5.510185
  C      -8.464882     -1.873820      3.268980
  C      -9.430621     -0.828170      2.944881
  O      -9.766177      0.118547      3.663964
  C     -10.091305     -0.770650      1.557110
  O      -9.547960     -1.019615      0.499434
  C      -8.392411     -3.015308      2.462090
  C      -7.486250     -4.063808      2.656411
  C      -7.407231     -5.053083      1.579716
  O      -8.268184     -5.253709      0.727266
  C      -1.902232     -5.830207      7.173134
  C      -0.636836     -6.247644      7.676364
  C      -0.323527     -6.150105      9.015718
  Cl      1.305088     -6.530465      9.462349
  C      -1.268350     -5.692494      9.991616
  C      -1.016714     -5.663017     11.439232
  O      -0.141446     -6.290599     12.033108
  C      -1.857771     -4.740867     12.344740
  O      -2.451330     -3.743038     11.992424
  C      -2.531460     -5.350637      9.511203
  C      -2.879762     -5.409061      8.151663
  C      -4.259859     -5.310545      7.821822
  O      -4.762222     -5.330750      6.666411
  H      -4.626442     -2.468629      1.045879
  H      -5.682451      3.619916      4.044977
  H      -4.210864      0.583626      4.914387
  H      -3.694764     -0.986636      6.351491
  H      -6.057002     -2.832738      5.508431
  H     -11.101405     -0.294404      1.614345
  H      -9.036877     -3.091587      1.586805
  H      -6.444368     -5.611850      1.517278
  H       0.147858     -6.554798      6.988218
  H      -1.763834     -5.043656     13.416307
  H      -3.307260     -5.056495     10.217806
  H      -4.966831     -5.283815      8.671209
  N      -2.279163     -3.733406      4.070072
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.611461380890
  N      -3.321668     -3.559893      3.115255
  C      -3.258136     -4.376080      1.880958
  C      -2.656197     -5.722969      2.224370
  N      -3.353725     -6.344783      3.393271
  C      -4.681167     -6.916571      2.979432
  C      -5.789534     -6.367749      3.875764
  N      -5.636784     -4.936589      4.104709
  Mo     -3.663833     -4.658972      4.875633
  N      -2.208330     -5.830761      5.867690
  C      -1.448019     -6.658161      4.935457
  C      -2.460687     -7.354320      4.031676
  H      -0.859699     -7.431979      5.450200
  H      -0.750127     -6.032240      4.352803
  H      -3.091627     -8.005696      4.652062
  H      -1.966166     -7.974500      3.264571
  H      -6.777670     -6.621401      3.461899
  H      -5.726571     -6.872070      4.860382
  H      -4.862232     -6.639777      1.932474
  H      -4.638735     -8.014723      3.024496
  H      -2.647714     -3.868927      1.117321
  H      -4.282320     -4.482369      1.499412
  H      -1.602506     -5.593118      2.494938
  H      -2.711957     -6.393314      1.351860
  C      -3.918292     -2.277900      3.085138
  C      -4.552341     -1.828145      1.919158
  C      -5.075423     -0.547427      1.828582
  Cl     -5.850193     -0.119349      0.346517
  C      -4.913458      0.380747      2.899234
  C      -5.491476      1.737715      2.914992
  O      -6.381992      2.145984      2.175819
  C      -4.935750      2.804425      3.876890
  O      -3.793402      2.862116      4.283631
  C      -4.281241     -0.080367      4.050874
  C      -3.857716     -1.416489      4.236530
  C      -3.710901     -1.795642      5.609451
  O      -3.793460     -2.981233      6.083515
  C      -6.569021     -4.008806      3.771625
  C      -6.674049     -2.861614      4.613504
  C      -7.565547     -1.842445      4.376993
  Cl     -7.548434     -0.516159      5.503195
  C      -8.465617     -1.873582      3.265900
  C      -9.431953     -0.829822      2.938978
  O      -9.763351      0.123538      3.651274
  C     -10.101300     -0.783198      1.555354
  O      -9.558811     -1.027660      0.496082
  C      -8.392968     -3.017203      2.461841
  C      -7.485522     -4.063854      2.658362
  C      -7.403303     -5.055603      1.583962
  O      -8.262988     -5.261191      0.731635
  C      -1.900103     -5.826940      7.173653
  C      -0.636391     -6.248500      7.677985
  C      -0.325208     -6.156064      9.018095
  Cl      1.302054     -6.540389      9.466419
  C      -1.270905     -5.700298      9.994029
  C      -1.022648     -5.678276     11.442200
  O      -0.146979     -6.306751     12.034598
  C      -1.865341     -4.760735     12.350564
  O      -2.451502     -3.756814     12.003153
  C      -2.532067     -5.353502      9.512449
  C      -2.878341     -5.406671      8.152071
  C      -4.257506     -5.304172      7.820812
  O      -4.758649     -5.321816      6.664648
  H      -4.640962     -2.472808      1.048131
  H      -5.685374      3.612855      4.056407
  H      -4.199306      0.588287      4.906677
  H      -3.675528     -0.979885      6.345028
  H      -6.054261     -2.823054      5.505460
  H     -11.116033     -0.317466      1.615244
  H      -9.038180     -3.096160      1.587328
  H      -6.438552     -5.612054      1.524728
  H       0.149416     -6.554421      6.990651
  H      -1.773560     -5.068796     13.420750
  H      -3.308316     -5.059643     10.218640
  H      -4.965787     -5.276213      8.668983
  N      -2.276853     -3.732024      4.063085
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.611470823831
  N      -3.321827     -3.560549      3.113173
  C      -3.259270     -4.377258      1.878862
  C      -2.656643     -5.723653      2.222686
  N      -3.352212     -6.344070      3.393523
  C      -4.679863     -6.917406      2.982039
  C      -5.788129     -6.366883      3.877579
  N      -5.635722     -4.935287      4.103599
  Mo     -3.662743     -4.656698      4.873974
  N      -2.205525     -5.826495      5.867198
  C      -1.444834     -6.652792      4.934393
  C      -2.457356     -7.351575      4.032514
  H      -0.853819     -7.425049      5.448358
  H      -0.749554     -6.025273      4.350398
  H      -3.086905     -8.002985      4.654249
  H      -1.962498     -7.972005      3.265843
  H      -6.776335     -6.621727      3.464615
  H      -5.724646     -6.869292      4.863114
  H      -4.861623     -6.643503      1.934432
  H      -4.636933     -8.015387      3.030308
  H      -2.649228     -3.869927      1.115100
  H      -4.283817     -4.483824      1.498516
  H      -1.602536     -5.593363      2.491463
  H      -2.713803     -6.395259      1.351300
  C      -3.917174     -2.278076      3.081766
  C      -4.552703     -1.828870      1.916524
  C      -5.073528     -0.547200      1.825318
  Cl     -5.851338     -0.120570      0.344462
  C      -4.908251      0.382054      2.894502
  C      -5.482040      1.740647      2.909531
  O      -6.367230      2.154102      2.166780
  C      -4.935378      2.801981      3.882168
  O      -3.793706      2.863590      4.290348
  C      -4.275579     -0.079119      4.046020
  C      -3.853453     -1.415525      4.232257
  C      -3.704228     -1.793105      5.605436
  O      -3.787579     -2.977851      6.081359
  C      -6.568867     -4.008432      3.771318
  C      -6.671670     -2.859849      4.611795
  C      -7.563722     -1.841113      4.375911
  Cl     -7.545150     -0.513556      5.500692
  C      -8.466514     -1.873919      3.267139
  C      -9.433331     -0.830585      2.940721
  O      -9.760033      0.126736      3.649908
  C     -10.109540     -0.788740      1.560508
  O      -9.569110     -1.029685      0.499306
  C      -8.396112     -3.018806      2.464673
  C      -7.488303     -4.065231      2.660454
  C      -7.409740     -5.059380      1.587865
  O      -8.270746     -5.264108      0.736739
  C      -1.898923     -5.824093      7.173325
  C      -0.635917     -6.246754      7.678830
  C      -0.326184     -6.155779      9.019259
  Cl      1.300564     -6.540672      9.469161
  C      -1.272852     -5.700722      9.994686
  C      -1.027019     -5.681241     11.443194
  O      -0.153746     -6.312295     12.036381
  C      -1.874531     -4.769407     12.352703
  O      -2.461132     -3.764855     12.007928
  C      -2.533057     -5.352411      9.511944
  C      -2.877968     -5.403949      8.151116
  C      -4.256506     -5.299755      7.818650
  O      -4.756687     -5.317042      6.661889
  H      -4.644500     -2.474385      1.046487
  H      -5.690818      3.603186      4.069171
  H      -4.190980      0.590749      4.900588
  H      -3.664931     -0.976318      6.339656
  H      -6.049601     -2.819982      5.502184
  H     -11.126808     -0.329191      1.623601
  H      -9.043694     -3.098963      1.592043
  H      -6.446077     -5.617549      1.527874
  H       0.150634     -6.552309      6.992215
  H      -1.787557     -5.083256     13.421587
  H      -3.309722     -5.058407     10.217616
  H      -4.966065     -5.270519      8.665640
  N      -2.275873     -3.731652      4.058993
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.611483492957
  N      -3.325082     -3.561600      3.114202
  C      -3.263246     -4.377761      1.878964
  C      -2.659109     -5.723704      2.221749
  N      -3.352580     -6.344306      3.393940
  C      -4.680320     -6.919095      2.984052
  C      -5.788136     -6.369070      3.880593
  N      -5.637745     -4.937047      4.104890
  Mo     -3.664253     -4.657060      4.874058
  N      -2.204598     -5.826140      5.867221
  C      -1.443845     -6.650929      4.933509
  C      -2.456151     -7.350801      4.032401
  H      -0.850816     -7.422431      5.446347
  H      -0.750418     -6.021855      4.348963
  H      -3.084679     -8.002961      4.654386
  H      -1.960952     -7.970567      3.265420
  H      -6.776827     -6.626034      3.470173
  H      -5.721752     -6.870324      4.866542
  H      -4.863091     -6.645746      1.936493
  H      -4.636304     -8.016995      3.033065
  H      -2.654281     -3.869043      1.115340
  H      -4.288389     -4.485036      1.500381
  H      -1.604565     -5.593156      2.488649
  H      -2.717746     -6.395529      1.350642
  C      -3.918394     -2.278485      3.082212
  C      -4.554821     -1.828640      1.917768
  C      -5.074424     -0.546388      1.827420
  Cl     -5.855299     -0.119983      0.348026
  C      -4.907486      0.382878      2.896253
  C      -5.479020      1.742318      2.911895
  O      -6.356109      2.161442      2.162618
  C      -4.938054      2.800136      3.891230
  O      -3.795735      2.866231      4.297108
  C      -4.274471     -0.079228      4.047419
  C      -3.852956     -1.415829      4.232767
  C      -3.702171     -1.793217      5.605920
  O      -3.785899     -2.977389      6.082819
  C      -6.570384     -4.010801      3.770313
  C      -6.671648     -2.860783      4.609449
  C      -7.561928     -1.840998      4.372411
  Cl     -7.541684     -0.512049      5.495668
  C      -8.464390     -1.873455      3.263294
  C      -9.429556     -0.829060      2.935327
  O      -9.753509      0.131048      3.642018
  C     -10.107574     -0.789448      1.556097
  O      -9.566473     -1.027637      0.494524
  C      -8.395597     -3.019320      2.462238
  C      -7.489617     -4.067287      2.659042
  C      -7.413734     -5.062277      1.586900
  O      -8.274500     -5.262610      0.734412
  C      -1.898299     -5.823340      7.173097
  C      -0.635098     -6.245791      7.678761
  C      -0.325494     -6.154851      9.019065
  Cl      1.301372     -6.538983      9.469411
  C      -1.272404     -5.700218      9.994621
  C      -1.027202     -5.681916     11.443217
  O      -0.153348     -6.312629     12.035935
  C      -1.873630     -4.769552     12.353296
  O      -2.460498     -3.764900     12.009331
  C      -2.532497     -5.351823      9.511750
  C      -2.877425     -5.403202      8.150885
  C      -4.255696     -5.298238      7.818415
  O      -4.755952     -5.315872      6.661468
  H      -4.649168     -2.473946      1.047858
  H      -5.696364      3.597952      4.080820
  H      -4.188496      0.590846      4.901646
  H      -3.660341     -0.975882      6.339433
  H      -6.049447     -2.820948      5.499864
  H     -11.126563     -0.333869      1.619357
  H      -9.042771     -3.099099      1.589276
  H      -6.453075     -5.625315      1.527707
  H       0.151399     -6.551241      6.992023
  H      -1.786485     -5.084171     13.421957
  H      -3.309021     -5.057675     10.217483
  H      -4.965961     -5.267782      8.664710
  N      -2.278015     -3.731975      4.058949
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.611485297368
  N      -3.326599     -3.561566      3.116277
  C      -3.263891     -4.376766      1.880131
  C      -2.659478     -5.722772      2.222116
  N      -3.353618     -6.344376      3.393530
  C      -4.681091     -6.918664      2.982083
  C      -5.788758     -6.370580      3.879896
  N      -5.640025     -4.938759      4.106490
  Mo     -3.666055     -4.658314      4.874572
  N      -2.205453     -5.828130      5.867263
  C      -1.445395     -6.652921      4.933321
  C      -2.457826     -7.351691      4.031602
  H      -0.852687     -7.424949      5.445789
  H      -0.751623     -6.023939      4.349006
  H      -3.086939     -8.004001      4.652851
  H      -1.962640     -7.971144      3.264359
  H      -6.777853     -6.627826      3.470523
  H      -5.720548     -6.873029      4.865127
  H      -4.863463     -6.642732      1.935181
  H      -4.636918     -8.016669      3.028551
  H      -2.655127     -3.866869      1.117194
  H      -4.289082     -4.484354      1.501725
  H      -1.604975     -5.592804      2.489404
  H      -2.718122     -6.393744      1.350336
  C      -3.918513     -2.277941      3.084234
  C      -4.554058     -1.826936      1.919784
  C      -5.072714     -0.544262      1.830027
  Cl     -5.854114     -0.117300      0.350978
  C      -4.905625      0.384549      2.899213
  C      -5.475369      1.744682      2.915154
  O      -6.347088      2.167608      2.161711
  C      -4.937831      2.799923      3.899026
  O      -3.795450      2.867723      4.304631
  C      -4.273673     -0.078875      4.050578
  C      -3.853154     -1.415749      4.235131
  C      -3.702402     -1.794046      5.608127
  O      -3.786432     -2.978190      6.084717
  C      -6.571707     -4.012599      3.769447
  C      -6.673167     -2.861829      4.607856
  C      -7.562371     -1.841527      4.369578
  Cl     -7.542608     -0.512151      5.492391
  C      -8.463741     -1.873947      3.259341
  C      -9.428683     -0.829680      2.930246
  O      -9.752055      0.131410      3.635853
  C     -10.107425     -0.791864      1.551421
  O      -9.566574     -1.030349      0.489762
  C      -8.394907     -3.020381      2.459357
  C      -7.490256     -4.069432      2.657774
  C      -7.417152     -5.066755      1.587683
  O      -8.277357     -5.263460      0.733618
  C      -1.898652     -5.824126      7.172848
  C      -0.635136     -6.246403      7.678184
  C      -0.324803     -6.154404      9.018158
  Cl      1.302199     -6.538326      9.468192
  C      -1.271155     -5.698693      9.993876
  C      -1.025114     -5.679031     11.442326
  O      -0.151367     -6.309861     12.035095
  C      -1.869741     -4.764362     12.351866
  O      -2.458042     -3.760937     12.006815
  C      -2.531448     -5.350487      9.511436
  C      -2.877212     -5.403001      8.150784
  C      -4.255519     -5.297723      7.818985
  O      -4.756409     -5.315960      6.662159
  H      -4.648968     -2.471602      1.049449
  H      -5.697327      3.596380      4.089490
  H      -4.187614      0.590736      4.905139
  H      -3.659771     -0.976879      6.341839
  H      -6.051643     -2.822057      5.498785
  H     -11.126641     -0.336780      1.614584
  H      -9.041504     -3.100632      1.585975
  H      -6.460005     -5.635841      1.530914
  H       0.150661     -6.552539      6.990948
  H      -1.780830     -5.077080     13.420960
  H      -3.307436     -5.055539     10.217424
  H      -4.965621     -5.266284      8.665342
  N      -2.279106     -3.733031      4.060924
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.611489819698
  N      -3.326067     -3.561613      3.116823
  C      -3.263342     -4.376690      1.880525
  C      -2.658892     -5.722697      2.222522
  N      -3.353782     -6.344611      3.393371
  C      -4.681074     -6.918503      2.980857
  C      -5.788796     -6.371214      3.879112
  N      -5.640883     -4.939437      4.106907
  Mo     -3.666739     -4.658970      4.874745
  N      -2.205790     -5.829047      5.867630
  C      -1.446051     -6.654000      4.933732
  C      -2.458583     -7.352280      4.031661
  H      -0.853664     -7.426329      5.446129
  H      -0.751900     -6.025295      4.349522
  H      -3.088171     -8.004438      4.652616
  H      -1.963395     -7.971925      3.264565
  H      -6.778068     -6.628634      3.470270
  H      -5.719773     -6.874105      4.864078
  H      -4.862971     -6.641237      1.934248
  H      -4.637032     -8.016572      3.025857
  H      -2.655048     -3.866663      1.117317
  H      -4.288644     -4.484555      1.502395
  H      -1.604486     -5.593037      2.490251
  H      -2.717269     -6.393269      1.350393
  C      -3.918408     -2.278091      3.084898
  C      -4.553949     -1.827296      1.920411
  C      -5.072765     -0.544694      1.830402
  Cl     -5.855022     -0.118695      0.351551
  C      -4.905663      0.384391      2.899422
  C      -5.474238      1.744942      2.914841
  O      -6.342075      2.170299      2.158286
  C      -4.939840      2.798679      3.902052
  O      -3.797549      2.868311      4.307708
  C      -4.274078     -0.079166      4.051009
  C      -3.853441     -1.415857      4.235661
  C      -3.702278     -1.794282      5.608701
  O      -3.786491     -2.978267      6.085443
  C      -6.571709     -4.012953      3.768471
  C      -6.673441     -2.862377      4.607265
  C      -7.562328     -1.841806      4.369223
  Cl     -7.543299     -0.513404      5.493162
  C      -8.463365     -1.873661      3.258501
  C      -9.428538     -0.829549      2.929801
  O      -9.751120      0.131835      3.635395
  C     -10.108673     -0.791981      1.551692
  O      -9.569042     -1.029790      0.489266
  C      -8.394025     -3.019637      2.458040
  C      -7.489639     -4.069087      2.656263
  C      -7.416777     -5.065722      1.585663
  O      -8.276676     -5.260565      0.730740
  C      -1.899020     -5.824884      7.173150
  C      -0.635755     -6.247992      7.678549
  C      -0.325216     -6.155657      9.018423
  Cl      1.301449     -6.540818      9.468513
  C      -1.271132     -5.698651      9.994025
  C      -1.024707     -5.678142     11.442423
  O      -0.151253     -6.309206     12.035376
  C      -1.867182     -4.760617     12.351145
  O      -2.455321     -3.757582     12.004727
  C      -2.531220     -5.349734      9.511619
  C      -2.877225     -5.402721      8.150988
  C      -4.255490     -5.296869      7.819451
  O      -4.756732     -5.315308      6.662694
  H      -4.648730     -2.472109      1.050141
  H      -5.701091      3.593032      4.094245
  H      -4.188073      0.590394      4.905620
  H      -3.659462     -0.977013      6.342341
  H      -6.052194     -2.823178      5.498448
  H     -11.128231     -0.337804      1.616282
  H      -9.039999     -3.099514      1.584139
  H      -6.460391     -5.635880      1.528521
  H       0.149588     -6.554883      6.991125
  H      -1.777118     -5.071340     13.420737
  H      -3.306943     -5.053951     10.217555
  H      -4.965273     -5.264571      8.666027
  N      -2.279227     -3.733899      4.061806
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.611490715024
  N      -3.326181     -3.561438      3.116971
  C      -3.263684     -4.376444      1.880669
  C      -2.659116     -5.722462      2.222728
  N      -3.354463     -6.344608      3.393196
  C      -4.681518     -6.918507      2.979988
  C      -5.789364     -6.372186      3.878728
  N      -5.642118     -4.940428      4.107683
  Mo     -3.667935     -4.659418      4.874906
  N      -2.205917     -5.828804      5.867738
  C      -1.446803     -6.654401      4.933913
  C      -2.459629     -7.352357      4.031784
  H      -0.854890     -7.427041      5.446363
  H      -0.752185     -6.026312      4.349571
  H      -3.089452     -8.004222      4.652843
  H      -1.964617     -7.972416      3.264890
  H      -6.778711     -6.629649      3.470086
  H      -5.719789     -6.875508      4.863450
  H      -4.863394     -6.640221      1.933645
  H      -4.637334     -8.016629      3.023655
  H      -2.655988     -3.866530      1.116901
  H      -4.289017     -4.484638      1.502632
  H      -1.604812     -5.592814      2.490774
  H      -2.717119     -6.392751      1.350326
  C      -3.918735     -2.277805      3.085902
  C      -4.554791     -1.827033      1.921693
  C      -5.073749     -0.544459      1.831649
  Cl     -5.858410     -0.119771      0.353796
  C      -4.905911      0.384812      2.900536
  C      -5.472429      1.746073      2.915473
  O      -6.334075      2.175538      2.154134
  C      -4.942292      2.797409      3.907578
  O      -3.800041      2.869544      4.313074
  C      -4.274325     -0.079122      4.052029
  C      -3.853546     -1.415613      4.236580
  C      -3.701738     -1.794323      5.609594
  O      -3.786431     -2.978205      6.086215
  C      -6.572168     -4.013600      3.768005
  C      -6.673953     -2.862763      4.606487
  C      -7.562075     -1.841719      4.367727
  Cl     -7.543011     -0.513286      5.491519
  C      -8.462416     -1.873392      3.256221
  C      -9.426464     -0.828752      2.926297
  O      -9.746950      0.134614      3.630228
  C     -10.108735     -0.793022      1.549233
  O      -9.571012     -1.031865      0.486066
  C      -8.393258     -3.019777      2.456390
  C      -7.489511     -4.069710      2.655396
  C      -7.416686     -5.066766      1.585335
  O      -8.276580     -5.261779      0.730330
  C      -1.899030     -5.825049      7.173220
  C      -0.636010     -6.249141      7.678478
  C      -0.325136     -6.156844      9.018274
  Cl      1.301155     -6.543788      9.468032
  C      -1.270452     -5.698579      9.993943
  C      -1.023185     -5.676927     11.442226
  O      -0.151053     -6.309502     12.035529
  C      -1.864391     -4.757635     12.350374
  O      -2.452545     -3.754960     12.002920
  C      -2.530429     -5.349014      9.511831
  C      -2.876823     -5.402191      8.151223
  C      -4.255077     -5.295840      7.820180
  O      -4.756851     -5.314481      6.663567
  H      -4.650091     -2.472099      1.051644
  H      -5.705936      3.588777      4.102524
  H      -4.187982      0.590143      4.906866
  H      -3.658246     -0.977125      6.343320
  H      -6.053141     -2.823742      5.498004
  H     -11.128267     -0.338898      1.615285
  H      -9.038589     -3.099816      1.582015
  H      -6.460587     -5.637439      1.528449
  H       0.148852     -6.556685      6.990792
  H      -1.773541     -5.066944     13.420325
  H      -3.305877     -5.052606     10.217823
  H      -4.964227     -5.263036      8.667255
  N      -2.280008     -3.734457      4.062436
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.611490784016
  N      -3.326038     -3.561609      3.116629
  C      -3.263308     -4.376624      1.880511
  C      -2.659034     -5.722702      2.222892
  N      -3.354826     -6.344669      3.393104
  C      -4.681809     -6.918473      2.979621
  C      -5.789842     -6.372576      3.878410
  N      -5.642710     -4.940856      4.107885
  Mo     -3.668609     -4.659723      4.874882
  N      -2.206225     -5.828560      5.867779
  C      -1.447298     -6.654581      4.934087
  C      -2.460302     -7.352435      4.032019
  H      -0.855807     -7.427433      5.446684
  H      -0.752284     -6.026956      4.349734
  H      -3.090279     -8.003970      4.653275
  H      -1.965461     -7.972883      3.265318
  H      -6.779063     -6.630001      3.469459
  H      -5.720432     -6.876102      4.863032
  H      -4.863693     -6.639921      1.933342
  H      -4.637619     -8.016625      3.022802
  H      -2.655422     -3.867059      1.116630
  H      -4.288439     -4.484724      1.501889
  H      -1.604863     -5.592919      2.491414
  H      -2.716529     -6.393064      1.350511
  C      -3.918979     -2.278002      3.085945
  C      -4.555285     -1.827460      1.921790
  C      -5.074388     -0.544922      1.831455
  Cl     -5.860305     -0.121267      0.354106
  C      -4.906331      0.384500      2.900273
  C      -5.471658      1.746147      2.914728
  O      -6.329815      2.177951      2.150737
  C      -4.947116      2.795137      3.912249
  O      -3.805668      2.869586      4.319660
  C      -4.274856     -0.079472      4.051813
  C      -3.853735     -1.415765      4.236528
  C      -3.701522     -1.794330      5.609611
  O      -3.786393     -2.978065      6.086332
  C      -6.572355     -4.013677      3.767925
  C      -6.673996     -2.862842      4.606423
  C      -7.561508     -1.841343      4.367308
  Cl     -7.542579     -0.513263      5.491436
  C      -8.461313     -1.872566      3.255304
  C      -9.423819     -0.826956      2.924259
  O      -9.742357      0.138166      3.626743
  C     -10.107144     -0.792171      1.547700
  O      -9.570632     -1.032686      0.484300
  C      -8.392640     -3.019172      2.455720
  C      -7.489476     -4.069511      2.655099
  C      -7.416643     -5.066726      1.585204
  O      -8.276825     -5.262609      0.730685
  C      -1.899227     -5.825196      7.173287
  C      -0.636423     -6.249902      7.678522
  C      -0.325480     -6.157798      9.018339
  Cl      1.300571     -6.545827      9.467978
  C      -1.270499     -5.698938      9.994009
  C      -1.022784     -5.677060     11.442252
  O      -0.150550     -6.309725     12.035312
  C      -1.861704     -4.755228     12.349949
  O      -2.449048     -3.752396     12.001548
  C      -2.530342     -5.348848      9.511989
  C      -2.876832     -5.402028      8.151374
  C      -4.255079     -5.295402      7.820473
  O      -4.757050     -5.314123      6.663963
  H      -4.650835     -2.472876      1.052026
  H      -5.713881      3.582840      4.109749
  H      -4.188439      0.589710      4.906729
  H      -3.657505     -0.977024      6.343210
  H      -6.053577     -2.824215      5.498236
  H     -11.126119     -0.336827      1.614303
  H      -9.037663     -3.099019      1.581094
  H      -6.460366     -5.637156      1.528404
  H       0.148307     -6.557813      6.990851
  H      -1.769148     -5.062353     13.420386
  H      -3.305701     -5.052129     10.217942
  H      -4.963875     -5.262348      8.667844
  N      -2.280321     -3.734971      4.062453
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.611492027441
  N      -3.325819     -3.561880      3.116132
  C      -3.262943     -4.377000      1.880245
  C      -2.658923     -5.723085      2.222936
  N      -3.354795     -6.344665      3.393188
  C      -4.681835     -6.918424      2.979880
  C      -5.789963     -6.372644      3.878639
  N      -5.642781     -4.940932      4.108070
  Mo     -3.668721     -4.659824      4.874847
  N      -2.206267     -5.828242      5.867790
  C      -1.447235     -6.654353      4.934174
  C      -2.460341     -7.352340      4.032321
  H      -0.855892     -7.427247      5.446876
  H      -0.752085     -6.026909      4.349820
  H      -3.090313     -8.003634      4.653827
  H      -1.965647     -7.973040      3.265728
  H      -6.779039     -6.630186      3.469439
  H      -5.720774     -6.876144      4.863274
  H      -4.863851     -6.640034      1.933576
  H      -4.637625     -8.016585      3.023108
  H      -2.654681     -3.867783      1.116400
  H      -4.287906     -4.484880      1.501112
  H      -1.604822     -5.593064      2.491675
  H      -2.716130     -6.393752      1.350789
  C      -3.919243     -2.278476      3.085428
  C      -4.555849     -1.828328      1.921300
  C      -5.075086     -0.545833      1.830643
  Cl     -5.861580     -0.122899      0.353508
  C      -4.907068      0.383765      2.899350
  C      -5.472220      1.745416      2.913439
  O      -6.326776      2.178837      2.146283
  C      -4.951171      2.793525      3.913628
  O      -3.810100      2.870036      4.321762
  C      -4.275509     -0.079972      4.050930
  C      -3.853921     -1.416081      4.235887
  C      -3.701371     -1.794177      5.609100
  O      -3.786196     -2.977698      6.086165
  C      -6.572295     -4.013538      3.768281
  C      -6.673771     -2.862905      4.607061
  C      -7.560981     -1.841115      4.368008
  Cl     -7.542456     -0.513695      5.492895
  C      -8.460507     -1.871798      3.255821
  C      -9.421719     -0.825245      2.924175
  O      -9.738663      0.141116      3.625723
  C     -10.105602     -0.790672      1.547871
  O      -9.569926     -1.032714      0.484403
  C      -8.392296     -3.018391      2.456109
  C      -7.489467     -4.068963      2.655399
  C      -7.416646     -5.065963      1.585246
  O      -8.277079     -5.262356      0.731168
  C      -1.899025     -5.824946      7.173278
  C      -0.636244     -6.249738      7.678410
  C      -0.325202     -6.157697      9.018234
  Cl      1.300917     -6.545783      9.467636
  C      -1.270084     -5.698754      9.993954
  C      -1.022196     -5.676917     11.442172
  O      -0.151122     -6.311048     12.035346
  C      -1.861690     -4.755784     12.350024
  O      -2.450134     -3.753581     12.001695
  C      -2.529914     -5.348530      9.512044
  C      -2.876501     -5.401706      8.151466
  C      -4.254780     -5.295070      7.820637
  O      -4.756861     -5.313931      6.664242
  H      -4.651576     -2.474081      1.051818
  H      -5.719879      3.579077      4.112069
  H      -4.189057      0.589323      4.905741
  H      -3.657012     -0.976592      6.342376
  H      -6.053612     -2.824753      5.499075
  H     -11.123977     -0.334030      1.614688
  H      -9.037263     -3.097832      1.581416
  H      -6.459943     -5.635655      1.528097
  H       0.148503     -6.557729      6.990805
  H      -1.769266     -5.063148     13.420397
  H      -3.305212     -5.051723     10.218032
  H      -4.963412     -5.261852      8.668151
  N      -2.280371     -3.735187      4.062229
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5670586-ZpLA/orca E -7697.611493155079
  N      -3.326097     -3.562210      3.116048
  C      -3.263238     -4.377265      1.880125
  C      -2.659345     -5.723420      2.222748
  N      -3.355046     -6.344804      3.393168
  C      -4.682140     -6.918588      2.980062
  C      -5.790289     -6.372915      3.878869
  N      -5.642987     -4.941228      4.108227
  Mo     -3.669018     -4.660213      4.874824
  N      -2.206632     -5.828372      5.867665
  C      -1.447491     -6.654550      4.934141
  C      -2.460574     -7.352511      4.032308
  H      -0.856314     -7.427483      5.446991
  H      -0.752209     -6.027168      4.349896
  H      -3.090554     -8.003736      4.653870
  H      -1.965946     -7.973208      3.265675
  H      -6.779288     -6.630468      3.469478
  H      -5.721252     -6.876486      4.863472
  H      -4.864322     -6.640246      1.933772
  H      -4.637830     -8.016752      3.023362
  H      -2.654604     -3.868066      1.116555
  H      -4.288135     -4.484878      1.500751
  H      -1.605225     -5.593303      2.491400
  H      -2.716633     -6.394275      1.350767
  C      -3.919296     -2.278791      3.085266
  C      -4.555981     -1.828489      1.921236
  C      -5.074982     -0.545883      1.830683
  Cl     -5.861562     -0.122888      0.353640
  C      -4.906925      0.383604      2.899505
  C      -5.472024      1.745260      2.913823
  O      -6.324481      2.179827      2.144929
  C      -4.953843      2.792334      3.916452
  O      -3.813075      2.870457      4.325194
  C      -4.275394     -0.080313      4.051038
  C      -3.853755     -1.416451      4.235821
  C      -3.701442     -1.794452      5.609064
  O      -3.786427     -2.977917      6.086121
  C      -6.572447     -4.013755      3.768516
  C      -6.673717     -2.863040      4.607190
  C      -7.560505     -1.840958      4.367768
  Cl     -7.541823     -0.513447      5.492588
  C      -8.459706     -1.871372      3.255374
  C      -9.419805     -0.824017      2.922930
  O      -9.735600      0.143363      3.623610
  C     -10.103869     -0.789816      1.546676
  O      -9.568610     -1.033361      0.483329
  C      -8.392053     -3.018300      2.456011
  C      -7.489654     -4.069124      2.655656
  C      -7.417244     -5.066578      1.585807
  O      -8.277729     -5.262970      0.731850
  C      -1.899079     -5.824717      7.173090
  C      -0.636051     -6.248889      7.678032
  C      -0.324871     -6.156618      9.017822
  Cl      1.301541     -6.543803      9.467029
  C      -1.269794     -5.698088      9.993661
  C      -1.021734     -5.676393     11.441859
  O      -0.150675     -6.310788     12.034766
  C      -1.861019     -4.755270     12.349898
  O      -2.450323     -3.753544     12.001645
  C      -2.529831     -5.348368      9.511897
  C      -2.876550     -5.401735      8.151393
  C      -4.254893     -5.295472      7.820606
  O      -4.756982     -5.314558      6.664250
  H      -4.652019     -2.474171      1.051746
  H      -5.724064      3.576211      4.115579
  H      -4.188845      0.588958      4.905839
  H      -3.656967     -0.976802      6.342252
  H      -6.053797     -2.825038      5.499375
  H     -11.121655     -0.331865      1.613212
  H      -9.037046     -3.097617      1.581353
  H      -6.460491     -5.636233      1.528760
  H       0.148807     -6.556685      6.990462
  H      -1.767831     -5.062214     13.420322
  H      -3.305122     -5.051802     10.217988
  H      -4.963591     -5.262375      8.668079
  N      -2.280795     -3.735345      4.062290
