75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.469129779698
  N      -2.789988     -3.610643      2.413129
  C      -2.186444     -4.538684      1.463843
  C      -2.099678     -5.895717      2.134562
  N      -3.376484     -6.101931      2.830207
  C      -4.420342     -6.465454      1.853493
  C      -5.756811     -6.230134      2.530720
  N      -5.600474     -5.037440      3.355738
  Mo     -4.033825     -4.092750      3.876931
  N      -3.368322     -5.292435      5.262278
  C      -2.707189     -6.583226      5.089666
  C      -3.243205     -7.194670      3.812574
  H      -2.875889     -7.249104      5.940136
  H      -1.622584     -6.403781      5.033394
  H      -4.223458     -7.634334      4.009508
  H      -2.581087     -7.977525      3.429217
  H      -6.550480     -6.083763      1.788549
  H      -6.067963     -7.074538      3.162299
  H      -4.345372     -5.821815      0.973445
  H      -4.304290     -7.507458      1.537914
  H      -1.196272     -4.218802      1.133789
  H      -2.814862     -4.566588      0.561666
  H      -1.288273     -5.887313      2.869550
  H      -1.915598     -6.691914      1.404953
  C      -2.285835     -2.327187      2.305572
  C      -0.931855     -2.075929      2.076222
  C      -0.439740     -0.789443      1.868871
  C       1.003291     -0.635196      1.705719
  O       1.803747     -1.551045      1.674487
  C       1.519882      0.793286      1.571099
  O       2.040487      1.325066      0.658330
  F       1.360965      1.470202      2.752678
  C      -1.327436      0.309313      1.808692
  C      -2.650342      0.107843      2.065891
  C      -3.153530     -1.180698      2.387624
  C      -4.474113     -1.346548      2.799913
  O      -4.866944     -2.440280      3.328632
  C      -6.867648     -4.734625      3.915340
  C      -7.169629     -5.243345      5.175238
  C      -8.409146     -4.998126      5.759831
  C      -8.692546     -5.391510      7.165149
  O      -9.701181     -5.955235      7.538478
  C      -7.675998     -4.868255      8.138002
  O      -6.734873     -4.141559      7.917147
  F      -8.086463     -5.006947      9.426242
  C      -9.389989     -4.307250      5.044281
  C      -9.097067     -3.804938      3.793237
  C      -7.836344     -3.990371      3.217620
  C      -7.534008     -3.380596      1.911690
  O      -8.307549     -2.723325      1.262780
  C      -3.435076     -4.925751      6.606251
  C      -4.035354     -5.758900      7.540783
  C      -4.101656     -5.399522      8.884238
  C      -4.870853     -6.189439      9.860565
  O      -4.602643     -6.225770     11.059581
  C      -6.064907     -6.886152      9.331391
  O      -6.589324     -6.781969      8.239716
  F      -6.688494     -7.640015     10.273520
  C      -3.404652     -4.259601      9.329327
  C      -2.785401     -3.433156      8.430049
  C      -2.841727     -3.702497      7.045105
  C      -2.341350     -2.802870      6.069901
  O      -2.663790     -2.884215      4.857600
  H      -0.194011     -2.864741      2.117391
  H      -0.956740      1.296913      1.584316
  H      -3.339799      0.936923      2.074301
  H      -5.199538     -0.535600      2.713296
  H      -6.441863     -5.839659      5.708716
  H     -10.360562     -4.156217      5.489881
  H      -9.834687     -3.249655      3.233384
  H      -6.496891     -3.554107      1.556151
  H      -4.501631     -6.675661      7.216031
  H      -3.405386     -4.043069     10.386037
  H      -2.288638     -2.536654      8.766235
  H      -1.671163     -1.992788      6.373309
  N      -5.332460     -3.677178      5.513313
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.503377703550
  N      -2.764513     -3.589577      2.394264
  C      -2.177755     -4.536649      1.443636
  C      -2.094168     -5.893474      2.115505
  N      -3.370033     -6.104593      2.824347
  C      -4.427193     -6.459854      1.850648
  C      -5.761554     -6.225854      2.529027
  N      -5.613403     -5.031866      3.366293
  Mo     -4.015690     -4.085954      3.888798
  N      -3.337164     -5.307036      5.280688
  C      -2.680625     -6.603120      5.086467
  C      -3.232654     -7.201644      3.810692
  H      -2.847750     -7.276196      5.936570
  H      -1.589768     -6.439323      5.017611
  H      -4.218263     -7.634510      4.012188
  H      -2.577658     -7.990894      3.414832
  H      -6.555958     -6.079503      1.782199
  H      -6.071946     -7.079058      3.156658
  H      -4.350746     -5.809694      0.972583
  H      -4.311992     -7.504406      1.527293
  H      -1.185230     -4.224219      1.104218
  H      -2.813467     -4.568630      0.542804
  H      -1.276427     -5.888867      2.846966
  H      -1.917722     -6.694791      1.382229
  C      -2.254000     -2.300654      2.276937
  C      -0.898635     -2.051961      2.024230
  C      -0.404603     -0.762299      1.811932
  C       1.041031     -0.609832      1.618425
  O       1.847364     -1.529706      1.564154
  C       1.570669      0.819107      1.475581
  O       2.080306      1.343153      0.541478
  F       1.447662      1.492928      2.670080
  C      -1.291876      0.342214      1.775277
  C      -2.617335      0.141144      2.057008
  C      -3.118804     -1.148992      2.379487
  C      -4.444182     -1.307493      2.812082
  O      -4.854489     -2.398960      3.343617
  C      -6.886030     -4.726555      3.931661
  C      -7.220007     -5.254237      5.191493
  C      -8.493302     -5.029697      5.737908
  C      -8.879104     -5.472351      7.112204
  O      -9.917457     -6.054747      7.363904
  C      -7.981467     -4.990656      8.240937
  O      -7.046481     -4.241709      8.176125
  F      -8.558141     -5.219289      9.459430
  C      -9.453966     -4.323688      4.996133
  C      -9.121235     -3.791204      3.764039
  C      -7.840491     -3.970428      3.220076
  C      -7.501623     -3.346856      1.926615
  O      -8.266793     -2.677503      1.256712
  C      -3.402333     -4.923897      6.626367
  C      -4.006261     -5.754130      7.575978
  C      -4.050797     -5.393691      8.924375
  C      -4.798385     -6.184583      9.927655
  O      -4.489100     -6.216078     11.117662
  C      -6.032022     -6.896098      9.457540
  O      -6.610119     -6.792630      8.397097
  F      -6.595395     -7.646816     10.437118
  C      -3.341802     -4.251330      9.362487
  C      -2.728559     -3.427286      8.449741
  C      -2.796623     -3.702981      7.063793
  C      -2.290505     -2.798948      6.090639
  O      -2.612567     -2.870485      4.875944
  H      -0.161483     -2.851033      2.047103
  H      -0.921846      1.338581      1.548189
  H      -3.310535      0.978630      2.082211
  H      -5.164450     -0.484681      2.735583
  H      -6.504333     -5.868299      5.730423
  H     -10.449381     -4.187953      5.410865
  H      -9.847894     -3.223748      3.187143
  H      -6.452443     -3.520920      1.593352
  H      -4.480660     -6.674551      7.253107
  H      -3.327042     -4.030240     10.425982
  H      -2.219710     -2.524505      8.780408
  H      -1.615119     -1.987693      6.400712
  N      -5.257322     -3.632716      5.481198
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.534988397951
  N      -2.737618     -3.571396      2.371970
  C      -2.153299     -4.537427      1.431631
  C      -2.078023     -5.894109      2.106907
  N      -3.360128     -6.117690      2.813030
  C      -4.417267     -6.474532      1.831896
  C      -5.760279     -6.254486      2.497374
  N      -5.637948     -5.057681      3.341969
  Mo     -4.018272     -4.094737      3.886520
  N      -3.334935     -5.342537      5.294719
  C      -2.676119     -6.636706      5.085553
  C      -3.224258     -7.219567      3.801570
  H      -2.849364     -7.319597      5.930715
  H      -1.580846     -6.481710      5.019302
  H      -4.214731     -7.651247      3.992596
  H      -2.566954     -8.008798      3.400224
  H      -6.548695     -6.116384      1.738756
  H      -6.067781     -7.116456      3.119635
  H      -4.335750     -5.819473      0.955925
  H      -4.290376     -7.520222      1.505414
  H      -1.155195     -4.230745      1.096271
  H      -2.784101     -4.576805      0.524875
  H      -1.263889     -5.890040      2.844787
  H      -1.897637     -6.698608      1.372704
  C      -2.226588     -2.278191      2.254008
  C      -0.868260     -2.023793      2.000312
  C      -0.378620     -0.728238      1.790405
  C       1.069193     -0.566159      1.591607
  O       1.889118     -1.482262      1.529746
  C       1.603696      0.865212      1.449338
  O       2.113730      1.383311      0.503487
  F       1.488462      1.537499      2.650648
  C      -1.270308      0.374830      1.760845
  C      -2.601045      0.164941      2.045328
  C      -3.096648     -1.128434      2.361272
  C      -4.434554     -1.284191      2.792514
  O      -4.870950     -2.368341      3.322981
  C      -6.901358     -4.738051      3.920845
  C      -7.201787     -5.243532      5.202624
  C      -8.460885     -5.006750      5.778213
  C      -8.807559     -5.421525      7.170506
  O      -9.838903     -6.005213      7.455905
  C      -7.882708     -4.915874      8.291879
  O      -6.963223     -4.165262      8.194374
  F      -8.439296     -5.162795      9.522008
  C      -9.447154     -4.310800      5.048020
  C      -9.145854     -3.797916      3.795640
  C      -7.874010     -3.989500      3.220210
  C      -7.564765     -3.389184      1.906944
  O      -8.354782     -2.724050      1.240447
  C      -3.423082     -4.945875      6.634117
  C      -4.045824     -5.780489      7.581635
  C      -4.115422     -5.415929      8.928786
  C      -4.871840     -6.209966      9.931945
  O      -4.572946     -6.224453     11.122377
  C      -6.114161     -6.961874      9.475794
  O      -6.692207     -6.889233      8.420920
  F      -6.645638     -7.701414     10.478081
  C      -3.420914     -4.263581      9.379697
  C      -2.793089     -3.438176      8.470194
  C      -2.832089     -3.721113      7.082879
  C      -2.304624     -2.802811      6.124584
  O      -2.598100     -2.857486      4.902712
  H      -0.128846     -2.826630      2.018739
  H      -0.905009      1.379598      1.536727
  H      -3.301903      1.003737      2.074844
  H      -5.148088     -0.451583      2.711995
  H      -6.465135     -5.845793      5.732706
  H     -10.435114     -4.164546      5.490063
  H      -9.889377     -3.235108      3.226108
  H      -6.524177     -3.571933      1.547121
  H      -4.511377     -6.706855      7.247518
  H      -3.426497     -4.035501     10.446765
  H      -2.293473     -2.525523      8.807456
  H      -1.639051     -1.988273      6.461077
  N      -5.204847     -3.612037      5.397425
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.563568116729
  N      -2.721763     -3.548910      2.363734
  C      -2.145585     -4.537528      1.439316
  C      -2.083248     -5.892222      2.121645
  N      -3.369551     -6.118713      2.826324
  C      -4.425602     -6.472902      1.839908
  C      -5.775915     -6.256584      2.488321
  N      -5.674541     -5.060776      3.336232
  Mo     -4.030843     -4.085588      3.903540
  N      -3.333335     -5.358820      5.330764
  C      -2.681851     -6.650746      5.104054
  C      -3.235553     -7.222014      3.816590
  H      -2.854003     -7.339225      5.946930
  H      -1.585151     -6.503687      5.031513
  H      -4.228845     -7.650851      4.003201
  H      -2.579539     -8.011731      3.410282
  H      -6.554207     -6.122276      1.716934
  H      -6.088068     -7.122142      3.105217
  H      -4.334489     -5.815244      0.966158
  H      -4.293890     -7.519225      1.512480
  H      -1.141924     -4.243331      1.105169
  H      -2.773286     -4.584077      0.529625
  H      -1.272093     -5.890487      2.863749
  H      -1.904162     -6.700974      1.389351
  C      -2.206774     -2.260396      2.236869
  C      -0.846299     -2.007146      1.981168
  C      -0.358194     -0.711026      1.764362
  C       1.089364     -0.545485      1.560576
  O       1.916095     -1.458313      1.499219
  C       1.630090      0.884009      1.409201
  O       2.140183      1.388328      0.453627
  F       1.524052      1.563957      2.608509
  C      -1.248573      0.392057      1.732586
  C      -2.582658      0.180408      2.019754
  C      -3.076505     -1.110675      2.338443
  C      -4.425899     -1.254561      2.766658
  O      -4.891050     -2.319610      3.303819
  C      -6.936978     -4.732593      3.906160
  C      -7.245297     -5.243469      5.183866
  C      -8.506127     -5.009659      5.750043
  C      -8.862217     -5.446072      7.129893
  O      -9.898060     -6.029891      7.397301
  C      -7.937422     -4.967523      8.278115
  O      -7.014671     -4.226194      8.197508
  F      -8.508379     -5.253565      9.496052
  C      -9.489894     -4.301590      5.021643
  C      -9.179581     -3.779400      3.774752
  C      -7.902913     -3.975801      3.204431
  C      -7.580463     -3.372467      1.896979
  O      -8.367463     -2.697725      1.226858
  C      -3.411862     -4.961782      6.664894
  C      -4.021843     -5.800333      7.621835
  C      -4.081331     -5.431483      8.969010
  C      -4.819951     -6.228198      9.983716
  O      -4.508988     -6.242109     11.167486
  C      -6.077833     -6.995456      9.546686
  O      -6.668481     -6.918958      8.505826
  F      -6.575812     -7.736451     10.560852
  C      -3.395656     -4.272504      9.416152
  C      -2.783209     -3.443978      8.496328
  C      -2.829671     -3.732965      7.110773
  C      -2.303556     -2.798147      6.156765
  O      -2.581297     -2.835901      4.934888
  H      -0.108763     -2.813363      2.001822
  H      -0.885155      1.398441      1.504536
  H      -3.285503      1.020173      2.046032
  H      -5.126198     -0.410009      2.674392
  H      -6.510311     -5.852046      5.710713
  H     -10.481120     -4.156646      5.460476
  H      -9.917719     -3.207969      3.204005
  H      -6.539405     -3.558106      1.541053
  H      -4.484275     -6.731194      7.290059
  H      -3.395304     -4.040008     10.483618
  H      -2.288606     -2.523741      8.826049
  H      -1.640476     -1.985756      6.508452
  N      -5.145950     -3.567122      5.320872
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.586976627917
  N      -2.705996     -3.524447      2.361633
  C      -2.137870     -4.530797      1.453306
  C      -2.086027     -5.885051      2.138885
  N      -3.373754     -6.116387      2.840949
  C      -4.428197     -6.464630      1.852465
  C      -5.783834     -6.251501      2.489632
  N      -5.700059     -5.060083      3.339439
  Mo     -4.039092     -4.074257      3.928437
  N      -3.327022     -5.373654      5.365249
  C      -2.682703     -6.660996      5.119643
  C      -3.240831     -7.221048      3.827798
  H      -2.853969     -7.356863      5.956882
  H      -1.585602     -6.520425      5.042763
  H      -4.235689     -7.647871      4.010182
  H      -2.586909     -8.010124      3.416336
  H      -6.553983     -6.120106      1.709028
  H      -6.098783     -7.120384      3.100748
  H      -4.330071     -5.803065      0.982550
  H      -4.293997     -7.509716      1.521155
  H      -1.129519     -4.249300      1.119597
  H      -2.763121     -4.582512      0.542072
  H      -1.277933     -5.887234      2.884229
  H      -1.907047     -6.694380      1.406764
  C      -2.189988     -2.248194      2.224744
  C      -0.828175     -1.994461      1.965370
  C      -0.345370     -0.700189      1.740875
  C       1.100531     -0.530324      1.530448
  O       1.929034     -1.436721      1.469383
  C       1.642804      0.897316      1.369169
  O       2.148063      1.389477      0.408742
  F       1.547854      1.583735      2.563454
  C      -1.233597      0.402357      1.707275
  C      -2.567308      0.189128      1.997100
  C      -3.058038     -1.099257      2.318716
  C      -4.415859     -1.231114      2.740166
  O      -4.905468     -2.271478      3.282713
  C      -6.960963     -4.733470      3.904591
  C      -7.266209     -5.236729      5.183624
  C      -8.525365     -5.008114      5.747323
  C      -8.878381     -5.447015      7.125437
  O      -9.908404     -6.036656      7.394084
  C      -7.954619     -4.959079      8.279127
  O      -7.037960     -4.208936      8.196171
  F      -8.523999     -5.259983      9.492821
  C      -9.513734     -4.307130      5.018858
  C      -9.205875     -3.787758      3.772022
  C      -7.929107     -3.982921      3.202640
  C      -7.606898     -3.385830      1.893900
  O      -8.395235     -2.718442      1.223024
  C      -3.401672     -4.981983      6.691104
  C      -4.009714     -5.819844      7.646994
  C      -4.072030     -5.449687      8.991811
  C      -4.809896     -6.253458      9.996365
  O      -4.515448     -6.279707     11.180745
  C      -6.068564     -7.023518      9.531519
  O      -6.640941     -6.929844      8.484232
  F      -6.567168     -7.782143     10.529246
  C      -3.395981     -4.289045      9.443783
  C      -2.787066     -3.459413      8.522940
  C      -2.828871     -3.751050      7.138382
  C      -2.298144     -2.802162      6.192654
  O      -2.557263     -2.817850      4.970034
  H      -0.092317     -2.801132      1.987999
  H      -0.872820      1.407720      1.475040
  H      -3.270585      1.027664      2.019432
  H      -5.100299     -0.374085      2.632796
  H      -6.524301     -5.836282      5.710721
  H     -10.504045     -4.165158      5.458328
  H      -9.944595     -3.220195      3.199804
  H      -6.567310     -3.569757      1.537039
  H      -4.470285     -6.750242      7.312814
  H      -3.400410     -4.054731     10.509830
  H      -2.299456     -2.535878      8.850973
  H      -1.639907     -1.994912      6.566098
  N      -5.077985     -3.534755      5.254511
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.601896133402
  N      -2.695594     -3.498316      2.365188
  C      -2.130621     -4.523399      1.479220
  C      -2.092146     -5.877487      2.167019
  N      -3.383042     -6.114695      2.858694
  C      -4.431124     -6.452214      1.864678
  C      -5.793323     -6.236762      2.487546
  N      -5.727174     -5.051495      3.340762
  Mo     -4.057980     -4.057468      3.960173
  N      -3.332642     -5.382994      5.401766
  C      -2.696724     -6.666476      5.136861
  C      -3.255882     -7.218751      3.840966
  H      -2.867918     -7.370066      5.967889
  H      -1.599219     -6.532711      5.057494
  H      -4.252822     -7.642755      4.017528
  H      -2.604040     -8.009206      3.428522
  H      -6.551593     -6.106540      1.694642
  H      -6.116342     -7.108437      3.090626
  H      -4.320752     -5.785629      1.000186
  H      -4.298404     -7.495451      1.526291
  H      -1.115749     -4.257917      1.149271
  H      -2.748985     -4.580291      0.563623
  H      -1.291260     -5.884645      2.919934
  H      -1.907002     -6.685685      1.434943
  C      -2.177448     -2.238531      2.213998
  C      -0.811895     -1.984333      1.951664
  C      -0.334460     -0.694253      1.716643
  C       1.111908     -0.522263      1.500187
  O       1.939239     -1.423511      1.442426
  C       1.655030      0.904162      1.325644
  O       2.155152      1.383512      0.359910
  F       1.572525      1.598171      2.513485
  C      -1.218867      0.410269      1.677606
  C      -2.551875      0.197871      1.967025
  C      -3.041484     -1.087583      2.292418
  C      -4.408056     -1.206860      2.697318
  O      -4.921430     -2.219831      3.245723
  C      -6.990215     -4.727959      3.893407
  C      -7.300644     -5.225785      5.169276
  C      -8.560557     -5.002607      5.724954
  C      -8.910905     -5.453821      7.097562
  O      -9.935124     -6.048708      7.369538
  C      -7.972521     -4.974184      8.245978
  O      -7.049097     -4.229201      8.157624
  F      -8.507095     -5.312637      9.461208
  C      -9.547543     -4.303690      4.995890
  C      -9.234491     -3.783921      3.751765
  C      -7.956390     -3.979180      3.188785
  C      -7.627609     -3.382418      1.881087
  O      -8.410969     -2.718817      1.209284
  C      -3.396871     -5.000230      6.723669
  C      -3.993063     -5.840452      7.684477
  C      -4.048949     -5.470901      9.028857
  C      -4.767560     -6.287399     10.033650
  O      -4.470664     -6.324051     11.214855
  C      -6.027373     -7.068259      9.564292
  O      -6.608178     -6.961666      8.522978
  F      -6.502135     -7.851003     10.552975
  C      -3.385863     -4.303842      9.478808
  C      -2.792021     -3.470105      8.553584
  C      -2.834705     -3.764301      7.170301
  C      -2.301313     -2.803991      6.233937
  O      -2.539416     -2.797756      5.009642
  H      -0.077991     -2.791142      1.979697
  H      -0.858483      1.412976      1.439778
  H      -3.254609      1.035524      1.980836
  H      -5.073515     -0.335903      2.566002
  H      -6.555111     -5.816701      5.700364
  H     -10.538233     -4.163658      5.432050
  H      -9.969126     -3.215824      3.176869
  H      -6.587050     -3.564789      1.528558
  H      -4.449516     -6.771984      7.351634
  H      -3.387807     -4.067933     10.543254
  H      -2.312945     -2.542005      8.877138
  H      -1.646600     -2.004662      6.631181
  N      -5.037094     -3.492511      5.213106
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.611851711265
  N      -2.687315     -3.477184      2.371413
  C      -2.117069     -4.516778      1.509366
  C      -2.089451     -5.870557      2.196823
  N      -3.384201     -6.118073      2.872218
  C      -4.426669     -6.441509      1.873215
  C      -5.793609     -6.222239      2.487785
  N      -5.741903     -5.043887      3.346832
  Mo     -4.074530     -4.044023      3.991839
  N      -3.334957     -5.390003      5.429530
  C      -2.705430     -6.670726      5.148744
  C      -3.263471     -7.219735      3.850680
  H      -2.876042     -7.381440      5.973876
  H      -1.607844     -6.541469      5.069823
  H      -4.262592     -7.640289      4.022657
  H      -2.614340     -8.014030      3.441085
  H      -6.542922     -6.093008      1.685983
  H      -6.123162     -7.096972      3.082813
  H      -4.304813     -5.768005      1.015770
  H      -4.299827     -7.481683      1.522930
  H      -1.095865     -4.265432      1.185951
  H      -2.724553     -4.578406      0.586874
  H      -1.299273     -5.881006      2.960843
  H      -1.889056     -6.675150      1.464637
  C      -2.168035     -2.229968      2.204277
  C      -0.799738     -1.974804      1.933893
  C      -0.326990     -0.688568      1.689400
  C       1.119411     -0.516684      1.460092
  O       1.944401     -1.415901      1.398787
  C       1.661641      0.909452      1.272809
  O       2.150617      1.381180      0.299436
  F       1.601243      1.606412      2.457945
  C      -1.206953      0.419870      1.652924
  C      -2.538332      0.208775      1.944684
  C      -3.027499     -1.075854      2.270094
  C      -4.400923     -1.189128      2.653033
  O      -4.931102     -2.183381      3.204479
  C      -7.006539     -4.727689      3.895868
  C      -7.314905     -5.207391      5.177782
  C      -8.575250     -4.983587      5.730597
  C      -8.923560     -5.432206      7.104418
  O      -9.948450     -6.019631      7.386341
  C      -7.970770     -4.956013      8.242207
  O      -7.037598     -4.222208      8.141098
  F      -8.484459     -5.297772      9.460585
  C      -9.563015     -4.293859      4.997273
  C      -9.250835     -3.785712      3.748806
  C      -7.975160     -3.986488      3.187154
  C      -7.647595     -3.400656      1.872882
  O      -8.430265     -2.746288      1.197570
  C      -3.389661     -5.019948      6.750038
  C      -3.974593     -5.867867      7.709176
  C      -4.044382     -5.498411      9.050804
  C      -4.757920     -6.332993     10.040482
  O      -4.481985     -6.379456     11.225631
  C      -5.997005     -7.130689      9.533470
  O      -6.560042     -7.015569      8.482956
  F      -6.460700     -7.955316     10.492561
  C      -3.410158     -4.318196      9.505239
  C      -2.825888     -3.476382      8.582007
  C      -2.852027     -3.774140      7.199125
  C      -2.311471     -2.805307      6.273940
  O      -2.523762     -2.782187      5.046133
  H      -0.067691     -2.782065      1.961855
  H      -0.845922      1.420290      1.411963
  H      -3.240297      1.045777      1.953648
  H      -5.050926     -0.308212      2.497243
  H      -6.561658     -5.779608      5.718055
  H     -10.551931     -4.149803      5.433510
  H      -9.983967     -3.221047      3.170362
  H      -6.607367     -3.585154      1.521388
  H      -4.421813     -6.801604      7.372653
  H      -3.427387     -4.078515     10.567667
  H      -2.367670     -2.539168      8.905801
  H      -1.665167     -2.011533      6.696079
  N      -5.030404     -3.441262      5.218808
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.619519848032
  N      -2.681633     -3.462597      2.376883
  C      -2.102030     -4.515348      1.540123
  C      -2.087492     -5.867569      2.227870
  N      -3.388207     -6.124431      2.881243
  C      -4.423803     -6.430640      1.875742
  C      -5.794533     -6.203790      2.482633
  N      -5.753430     -5.032098      3.348230
  Mo     -4.096046     -4.032122      4.018599
  N      -3.350392     -5.392321      5.450593
  C      -2.727319     -6.673524      5.159306
  C      -3.279674     -7.222082      3.858931
  H      -2.900501     -7.389647      5.979200
  H      -1.629268     -6.548787      5.085777
  H      -4.282264     -7.637154      4.025159
  H      -2.633495     -8.023679      3.458165
  H      -6.534824     -6.072750      1.672658
  H      -6.133498     -7.080550      3.069319
  H      -4.288442     -5.750322      1.025564
  H      -4.307979     -7.467672      1.512067
  H      -1.074049     -4.279029      1.226461
  H      -2.694876     -4.581088      0.608145
  H      -1.310932     -5.880659      3.005772
  H      -1.866977     -6.668117      1.496601
  C      -2.161020     -2.223220      2.194611
  C      -0.789812     -1.966975      1.918454
  C      -0.320001     -0.684118      1.665578
  C       1.127264     -0.513675      1.427605
  O       1.950890     -1.412898      1.365962
  C       1.667495      0.912736      1.228598
  O       2.144848      1.379925      0.247056
  F       1.621931      1.614222      2.410317
  C      -1.195816      0.428645      1.628518
  C      -2.526845      0.219265      1.918115
  C      -3.017130     -1.064948      2.244053
  C      -4.397739     -1.175284      2.598779
  O      -4.942926     -2.156520      3.151683
  C      -7.020981     -4.717808      3.890546
  C      -7.334733     -5.185445      5.174567
  C      -8.597698     -4.958614      5.720630
  C      -8.948869     -5.415523      7.090637
  O      -9.976867     -5.996453      7.374518
  C      -7.974040     -4.974154      8.221353
  O      -7.017500     -4.270082      8.118438
  F      -8.442744     -5.369159      9.437043
  C      -9.580285     -4.268941      4.982771
  C      -9.261462     -3.767093      3.732971
  C      -7.986535     -3.976565      3.176201
  C      -7.653060     -3.395090      1.859247
  O      -8.430910     -2.741876      1.180118
  C      -3.395297     -5.031662      6.773931
  C      -3.961656     -5.889529      7.737007
  C      -4.035400     -5.521171      9.078548
  C      -4.720845     -6.376352     10.070790
  O      -4.436674     -6.421815     11.253992
  C      -5.944405     -7.204587      9.569330
  O      -6.532238     -7.090413      8.532527
  F      -6.366126     -8.057749     10.523810
  C      -3.429896     -4.324927      9.529793
  C      -2.863506     -3.474230      8.604520
  C      -2.879366     -3.776341      7.222387
  C      -2.328450     -2.805366      6.306526
  O      -2.512561     -2.770565      5.074785
  H      -0.058727     -2.774363      1.948541
  H      -0.832275      1.426981      1.385101
  H      -3.228721      1.055832      1.919196
  H      -5.034651     -0.288533      2.412916
  H      -6.579679     -5.746144      5.724149
  H     -10.569338     -4.118998      5.415731
  H      -9.988643     -3.199055      3.150912
  H      -6.611169     -3.582077      1.513464
  H      -4.395598     -6.828774      7.400930
  H      -3.452880     -4.082040     10.591027
  H      -2.423170     -2.528164      8.925837
  H      -1.687690     -2.018618      6.750691
  N      -5.046182     -3.383782      5.236859
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.625051848216
  N      -2.673316     -3.455622      2.378516
  C      -2.083280     -4.516142      1.560889
  C      -2.077781     -5.867065      2.248026
  N      -3.382723     -6.134308      2.882437
  C      -4.417788     -6.421014      1.875484
  C      -5.788089     -6.189826      2.484835
  N      -5.750911     -5.025956      3.360230
  Mo     -4.105491     -4.029415      4.043961
  N      -3.351000     -5.398108      5.462087
  C      -2.733655     -6.681049      5.162344
  C      -3.283616     -7.228655      3.860688
  H      -2.907998     -7.402021      5.977721
  H      -1.635295     -6.558888      5.093653
  H      -4.289288     -7.637767      4.025371
  H      -2.641974     -8.038779      3.468554
  H      -6.526328     -6.054214      1.673692
  H      -6.131598     -7.069888      3.063940
  H      -4.275869     -5.731756      1.033267
  H      -4.316814     -7.453890      1.494892
  H      -1.050363     -4.290793      1.255067
  H      -2.663326     -4.584516      0.620449
  H      -1.312569     -5.881207      3.037299
  H      -1.836776     -6.662548      1.516786
  C      -2.155576     -2.217563      2.184639
  C      -0.784274     -1.958514      1.897325
  C      -0.317615     -0.676455      1.640999
  C       1.129224     -0.506529      1.390597
  O       1.952572     -1.406543      1.321223
  C       1.665321      0.921245      1.185197
  O       2.126818      1.390270      0.195429
  F       1.641355      1.620190      2.368674
  C      -1.191261      0.439363      1.611780
  C      -2.521713      0.228945      1.902465
  C      -3.011523     -1.056575      2.226264
  C      -4.398499     -1.168941      2.556033
  O      -4.953041     -2.145131      3.106671
  C      -7.020184     -4.716284      3.905235
  C      -7.335424     -5.170676      5.194789
  C      -8.600526     -4.935986      5.737645
  C      -8.961250     -5.391644      7.106486
  O     -10.004222     -5.948084      7.387497
  C      -7.978691     -4.985031      8.240929
  O      -7.008063     -4.300419      8.145588
  F      -8.467158     -5.361630      9.451369
  C      -9.578921     -4.247470      4.993687
  C      -9.256997     -3.755866      3.740123
  C      -7.984071     -3.976292      3.185540
  C      -7.648023     -3.402361      1.863906
  O      -8.424709     -2.751709      1.179806
  C      -3.391063     -5.045141      6.788897
  C      -3.948499     -5.911052      7.751039
  C      -4.045616     -5.538027      9.088979
  C      -4.731113     -6.404497     10.071165
  O      -4.472333     -6.438527     11.260605
  C      -5.919833     -7.265709      9.543406
  O      -6.488072     -7.170355      8.495152
  F      -6.323788     -8.147823     10.481480
  C      -3.472995     -4.325711      9.541294
  C      -2.908448     -3.470709      8.618717
  C      -2.899969     -3.780303      7.237628
  C      -2.330970     -2.812059      6.330133
  O      -2.486050     -2.770514      5.094651
  H      -0.052522     -2.765518      1.922636
  H      -0.826440      1.437666      1.369530
  H      -3.225056      1.064586      1.901825
  H      -5.028225     -0.281768      2.343054
  H      -6.578187     -5.719595      5.753427
  H     -10.567483     -4.088804      5.425269
  H      -9.979843     -3.185163      3.154818
  H      -6.605545     -3.593733      1.521408
  H      -4.371220     -6.855027      7.412912
  H      -3.518380     -4.075322     10.600325
  H      -2.489140     -2.514928      8.940118
  H      -1.696225     -2.030930      6.793720
  N      -5.042039     -3.345987      5.254438
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.629296042284
  N      -2.668185     -3.453127      2.377988
  C      -2.064960     -4.518784      1.578264
  C      -2.071707     -5.867573      2.267621
  N      -3.383395     -6.140723      2.879556
  C      -4.417281     -6.406417      1.869917
  C      -5.786920     -6.169034      2.480582
  N      -5.750293     -5.011722      3.365767
  Mo     -4.119274     -4.024860      4.060555
  N      -3.365000     -5.394153      5.466624
  C      -2.753371     -6.681256      5.165458
  C      -3.299555     -7.229807      3.862361
  H      -2.932646     -7.403636      5.978472
  H      -1.654264     -6.562845      5.104530
  H      -4.309814     -7.629110      4.024918
  H      -2.664237     -8.051524      3.482834
  H      -6.523582     -6.026579      1.669153
  H      -6.136690     -7.051030      3.052955
  H      -4.267263     -5.709060      1.035452
  H      -4.333159     -7.435367      1.473445
  H      -1.026442     -4.302283      1.284284
  H      -2.628704     -4.589356      0.627411
  H      -1.320457     -5.880607      3.070384
  H      -1.808703     -6.660445      1.540033
  C      -2.153401     -2.214704      2.176867
  C      -0.782567     -1.956642      1.881403
  C      -0.313505     -0.675250      1.627570
  C       1.132995     -0.509836      1.369083
  O       1.953295     -1.412759      1.291188
  C       1.669977      0.917456      1.163580
  O       2.115809      1.391800      0.168365
  F       1.666045      1.610111      2.350868
  C      -1.182745      0.444742      1.608444
  C      -2.514010      0.235560      1.896437
  C      -3.007987     -1.050338      2.213640
  C      -4.401950     -1.162861      2.514918
  O      -4.966184     -2.137181      3.057119
  C      -7.023314     -4.705111      3.908581
  C      -7.340829     -5.147724      5.201725
  C      -8.609702     -4.910725      5.738076
  C      -8.979160     -5.370127      7.103076
  O     -10.032283     -5.912883      7.376050
  C      -7.987863     -5.008595      8.243177
  O      -6.992089     -4.359319      8.159878
  F      -8.449789     -5.452929      9.440298
  C      -9.585293     -4.226861      4.986235
  C      -9.259193     -3.743264      3.730187
  C      -7.985424     -3.969875      3.180434
  C      -7.646340     -3.403083      1.855334
  O      -8.423765     -2.758438      1.165100
  C      -3.401970     -5.044557      6.797342
  C      -3.943638     -5.919415      7.761967
  C      -4.048749     -5.545095      9.099507
  C      -4.706764     -6.426054     10.089409
  O      -4.440996     -6.441813     11.277962
  C      -5.868640     -7.330144      9.577733
  O      -6.464914     -7.251738      8.544334
  F      -6.226771     -8.225519     10.524487
  C      -3.504955     -4.317516      9.547128
  C      -2.950726     -3.457135      8.623787
  C      -2.927884     -3.773023      7.244015
  C      -2.336888     -2.813376      6.341675
  O      -2.464380     -2.773043      5.103274
  H      -0.051900     -2.765070      1.900004
  H      -0.813689      1.443295      1.372061
  H      -3.216915      1.072154      1.895675
  H      -5.026150     -0.277770      2.275760
  H      -6.582417     -5.684931      5.770428
  H     -10.575211     -4.064089      5.414145
  H      -9.978804     -3.172649      3.140168
  H      -6.602225     -3.593586      1.517956
  H      -4.351741     -6.870675      7.425882
  H      -3.559377     -4.063045     10.605160
  H      -2.545996     -2.494050      8.943440
  H      -1.702050     -2.039137      6.817981
  N      -5.042428     -3.311950      5.259234
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.632604300545
  N      -2.665746     -3.456933      2.376017
  C      -2.049991     -4.524848      1.589979
  C      -2.068597     -5.871306      2.283027
  N      -3.386296     -6.146827      2.874157
  C      -4.420476     -6.390420      1.863413
  C      -5.788233     -6.147276      2.477010
  N      -5.748737     -4.996339      3.372959
  Mo     -4.131151     -4.023198      4.072274
  N      -3.378104     -5.385927      5.465656
  C      -2.772722     -6.678193      5.166147
  C      -3.318659     -7.228931      3.863295
  H      -2.956702     -7.399156      5.978903
  H      -1.673254     -6.563897      5.110775
  H      -4.333732     -7.615764      4.026010
  H      -2.692207     -8.063375      3.496257
  H      -6.525135     -5.996220      1.667719
  H      -6.143396     -7.030524      3.043497
  H      -4.263315     -5.684780      1.037138
  H      -4.353511     -7.414893      1.451301
  H      -1.006763     -4.314768      1.308557
  H      -2.597561     -4.597096      0.629408
  H      -1.330919     -5.880921      3.098256
  H      -1.785738     -6.663947      1.561933
  C      -2.155011     -2.216765      2.171960
  C      -0.785759     -1.960096      1.869320
  C      -0.311724     -0.678466      1.624719
  C       1.133567     -0.518199      1.359930
  O       1.949538     -1.424071      1.270350
  C       1.673774      0.907950      1.161095
  O       2.105170      1.391441      0.164138
  F       1.694808      1.586952      2.356020
  C      -1.175894      0.445147      1.621060
  C      -2.507867      0.236812      1.905542
  C      -3.007598     -1.049637      2.210888
  C      -4.407666     -1.161622      2.484123
  O      -4.980333     -2.137428      3.011902
  C      -7.026143     -4.693721      3.911423
  C      -7.344334     -5.127576      5.205909
  C      -8.616445     -4.892930      5.735496
  C      -8.992767     -5.358213      7.094917
  O     -10.058789     -5.880319      7.360951
  C      -7.990986     -5.044898      8.237540
  O      -6.989808     -4.401642      8.168402
  F      -8.464193     -5.497799      9.427045
  C      -9.591664     -4.215877      4.977106
  C      -9.263500     -3.738433      3.719449
  C      -7.987807     -3.966645      3.174367
  C      -7.647929     -3.405598      1.846785
  O      -8.428871     -2.770352      1.151749
  C      -3.411170     -5.038263      6.799843
  C      -3.937424     -5.919315      7.767845
  C      -4.046904     -5.541707      9.104665
  C      -4.679560     -6.430821     10.104517
  O      -4.413683     -6.418801     11.293260
  C      -5.806955     -7.381834      9.609044
  O      -6.411970     -7.339416      8.579059
  F      -6.104992     -8.299984     10.557084
  C      -3.528964     -4.300969      9.545608
  C      -2.983426     -3.438026      8.620453
  C      -2.949284     -3.761484      7.242835
  C      -2.335563     -2.814123      6.341887
  O      -2.440046     -2.782785      5.101818
  H      -0.056610     -2.769681      1.876995
  H      -0.802389      1.444633      1.395984
  H      -3.209110      1.074766      1.909261
  H      -5.028357     -0.279817      2.224300
  H      -6.584625     -5.653033      5.783392
  H     -10.582909     -4.053038      5.401638
  H      -9.981692     -3.170371      3.125486
  H      -6.602149     -3.589645      1.513368
  H      -4.334859     -6.876708      7.436505
  H      -3.591252     -4.041689     10.601957
  H      -2.590825     -2.468964      8.936801
  H      -1.695872     -2.046862      6.823530
  N      -5.041583     -3.282610      5.263705
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.635079758426
  N      -2.665051     -3.466724      2.370508
  C      -2.038609     -4.535976      1.594992
  C      -2.068445     -5.879674      2.293127
  N      -3.391469     -6.153988      2.867227
  C      -4.427470     -6.377356      1.856567
  C      -5.792928     -6.130202      2.474051
  N      -5.749421     -4.984486      3.380525
  Mo     -4.139891     -4.025054      4.076742
  N      -3.387269     -5.375352      5.460591
  C      -2.789589     -6.674145      5.164558
  C      -3.339892     -7.227806      3.864266
  H      -2.977401     -7.391477      5.979072
  H      -1.689786     -6.565291      5.110451
  H      -4.360118     -7.599698      4.029654
  H      -2.724711     -8.075785      3.508335
  H      -6.531504     -5.970977      1.668299
  H      -6.151268     -7.014562      3.036379
  H      -4.265033     -5.664024      1.037917
  H      -4.374900     -7.397594      1.430775
  H      -0.991201     -4.330655      1.326760
  H      -2.571009     -4.610049      0.625818
  H      -1.342802     -5.883324      3.119091
  H      -1.769661     -6.675180      1.581027
  C      -2.157716     -2.223834      2.168088
  C      -0.789926     -1.967227      1.860133
  C      -0.309799     -0.684194      1.632044
  C       1.134487     -0.527584      1.363647
  O       1.946704     -1.435539      1.259727
  C       1.679700      0.898127      1.179335
  O       2.094336      1.397268      0.183060
  F       1.723580      1.557180      2.385244
  C      -1.168933      0.442564      1.648817
  C      -2.501796      0.233843      1.928695
  C      -3.007620     -1.054254      2.216079
  C      -4.413114     -1.165502      2.462705
  O      -4.994216     -2.146201      2.969686
  C      -7.031391     -4.684585      3.914579
  C      -7.349584     -5.109010      5.211792
  C      -8.624257     -4.874577      5.736688
  C      -9.008691     -5.342194      7.092203
  O     -10.094197     -5.825166      7.355937
  C      -7.994244     -5.083189      8.236832
  O      -6.968065     -4.480032      8.175403
  F      -8.463809     -5.571883      9.413999
  C      -9.599156     -4.204488      4.971198
  C      -9.270292     -3.736449      3.710551
  C      -7.993172     -3.967298      3.168652
  C      -7.654009     -3.414618      1.837169
  O      -8.439762     -2.791389      1.136512
  C      -3.416031     -5.025434      6.796257
  C      -3.928677     -5.908543      7.768974
  C      -4.044034     -5.523777      9.103171
  C      -4.657266     -6.417131     10.111000
  O      -4.403901     -6.373755     11.302167
  C      -5.732222     -7.425512      9.619750
  O      -6.342242     -7.414429      8.592332
  F      -5.989958     -8.347405     10.577016
  C      -3.550327     -4.270583      9.535996
  C      -3.009994     -3.408296      8.607250
  C      -2.964406     -3.742855      7.232829
  C      -2.328016     -2.811151      6.329352
  O      -2.414950     -2.796490      5.088239
  H      -0.061896     -2.777604      1.853335
  H      -0.791322      1.444368      1.440552
  H      -3.200945      1.073669      1.941599
  H      -5.031133     -0.285674      2.189302
  H      -6.588526     -5.623884      5.796904
  H     -10.591317     -4.040311      5.393173
  H      -9.987882     -3.172358      3.112063
  H      -6.607151     -3.593294      1.505292
  H      -4.317545     -6.872314      7.445193
  H      -3.622271     -4.004166     10.590020
  H      -2.629001     -2.432724      8.918104
  H      -1.681682     -2.048498      6.810019
  N      -5.034286     -3.260303      5.261319
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.636923385525
  N      -2.668727     -3.478182      2.364601
  C      -2.032868     -4.547767      1.597903
  C      -2.073696     -5.889016      2.300914
  N      -3.401791     -6.160333      2.860084
  C      -4.438377     -6.365556      1.848569
  C      -5.802451     -6.116603      2.468279
  N      -5.756563     -4.975567      3.384139
  Mo     -4.150455     -4.028466      4.075640
  N      -3.397606     -5.364811      5.454193
  C      -2.809596     -6.670348      5.161087
  C      -3.366815     -7.226063      3.864545
  H      -3.000224     -7.383361      5.978105
  H      -1.709761     -6.567539      5.104959
  H      -4.392191     -7.581642      4.033184
  H      -2.764349     -8.087321      3.518233
  H      -6.541563     -5.950107      1.665136
  H      -6.163193     -7.002075      3.026694
  H      -4.271003     -5.644605      1.037707
  H      -4.396126     -7.381334      1.410388
  H      -0.981284     -4.346016      1.344510
  H      -2.550404     -4.622963      0.620862
  H      -1.359273     -5.885615      3.136479
  H      -1.761920     -6.688672      1.598935
  C      -2.163335     -2.233492      2.168141
  C      -0.796706     -1.975858      1.856340
  C      -0.310551     -0.691031      1.650832
  C       1.132765     -0.536600      1.380186
  O       1.941231     -1.445670      1.258255
  C       1.683030      0.889275      1.216318
  O       2.085339      1.406558      0.224547
  F       1.763648      1.516889      2.437321
  C      -1.164195      0.438780      1.692577
  C      -2.497902      0.228999      1.966633
  C      -3.009759     -1.061741      2.230036
  C      -4.419975     -1.172550      2.449695
  O      -5.010340     -2.160779      2.928795
  C      -7.043290     -4.674908      3.908857
  C      -7.363439     -5.085388      5.209379
  C      -8.641984     -4.853197      5.726431
  C      -9.032995     -5.316136      7.080630
  O     -10.129703     -5.773132      7.346250
  C      -7.999728     -5.113840      8.219588
  O      -6.968358     -4.518649      8.168010
  F      -8.463879     -5.633401      9.385341
  C      -9.617638     -4.198225      4.948576
  C      -9.286391     -3.743204      3.684265
  C      -8.005557     -3.973214      3.149711
  C      -7.666042     -3.433241      1.812788
  O      -8.455742     -2.825445      1.103587
  C      -3.417034     -5.012031      6.790701
  C      -3.911234     -5.896345      7.771025
  C      -4.021502     -5.506070      9.104553
  C      -4.607735     -6.401909     10.126586
  O      -4.362163     -6.322943     11.317868
  C      -5.652750     -7.450119      9.657831
  O      -6.274505     -7.470496      8.637664
  F      -5.845403     -8.388331     10.614844
  C      -3.543277     -4.243626      9.526725
  C      -3.015067     -3.381606      8.590904
  C      -2.970515     -3.724813      7.219093
  C      -2.318660     -2.808097      6.309618
  O      -2.395660     -2.811935      5.068338
  H      -0.070000     -2.786751      1.831302
  H      -0.782679      1.443195      1.505535
  H      -3.194315      1.070643      1.992230
  H      -5.033990     -0.291923      2.169608
  H      -6.601487     -5.587376      5.804075
  H     -10.612018     -4.034984      5.365102
  H     -10.004054     -3.189079      3.076953
  H      -6.615611     -3.600014      1.487308
  H      -4.292386     -6.865799      7.457119
  H      -3.614391     -3.971950     10.579276
  H      -2.640705     -2.401369      8.894449
  H      -1.662733     -2.050204      6.784624
  N      -5.029739     -3.240971      5.255150
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.638345079016
  N      -2.671577     -3.491957      2.357467
  C      -2.028783     -4.561639      1.597405
  C      -2.078374     -5.900920      2.304607
  N      -3.410332     -6.168962      2.853081
  C      -4.447384     -6.358957      1.840270
  C      -5.811021     -6.111278      2.461317
  N      -5.764674     -4.975041      3.385958
  Mo     -4.156208     -4.036676      4.070749
  N      -3.400254     -5.360062      5.448242
  C      -2.822987     -6.671952      5.156191
  C      -3.389426     -7.227918      3.863763
  H      -3.014927     -7.381489      5.975350
  H      -1.723231     -6.575438      5.095241
  H      -4.419329     -7.567689      4.036381
  H      -2.799973     -8.101082      3.524344
  H      -6.549976     -5.939096      1.659829
  H      -6.172472     -6.998791      3.015479
  H      -4.276595     -5.630050      1.037296
  H      -4.411012     -7.370103      1.390478
  H      -0.973618     -4.362647      1.357771
  H      -2.534022     -4.637526      0.614203
  H      -1.372554     -5.890444      3.147282
  H      -1.757433     -6.704926      1.611865
  C      -2.167475     -2.246153      2.168945
  C      -0.802326     -1.985244      1.851832
  C      -0.312696     -0.698014      1.671776
  C       1.129004     -0.541724      1.396891
  O       1.935991     -1.448930      1.254197
  C       1.682177      0.885721      1.259186
  O       2.047927      1.435837      0.271093
  F       1.775832      1.485698      2.493277
  C      -1.161531      0.433699      1.743126
  C      -2.495479      0.221184      2.013011
  C      -3.011039     -1.073295      2.249197
  C      -4.424864     -1.185511      2.444677
  O      -5.023719     -2.183468      2.890758
  C      -7.053796     -4.670728      3.902580
  C      -7.375863     -5.067466      5.206634
  C      -8.655943     -4.831825      5.718923
  C      -9.053798     -5.287981      7.072673
  O     -10.169825     -5.689637      7.347900
  C      -8.005159     -5.135921      8.205983
  O      -6.962268     -4.560385      8.159780
  F      -8.471528     -5.670200      9.363396
  C      -9.630500     -4.186611      4.931167
  C      -9.297502     -3.745857      3.662751
  C      -8.015102     -3.979512      3.133297
  C      -7.674011     -3.449424      1.792357
  O      -8.467829     -2.860226      1.072651
  C      -3.410259     -5.002994      6.784320
  C      -3.890456     -5.884839      7.773067
  C      -3.999771     -5.485630      9.104333
  C      -4.574253     -6.377669     10.136338
  O      -4.346467     -6.269487     11.329069
  C      -5.570496     -7.475279      9.675403
  O      -6.207836     -7.517377      8.665784
  F      -5.736139     -8.402755     10.647648
  C      -3.534314     -4.214990      9.515201
  C      -3.013808     -3.356550      8.571722
  C      -2.968823     -3.710417      7.203090
  C      -2.305924     -2.807489      6.286387
  O      -2.376616     -2.829813      5.045372
  H      -0.076482     -2.795665      1.804724
  H      -0.777422      1.441079      1.579071
  H      -3.189787      1.063730      2.054736
  H      -5.034417     -0.301470      2.165460
  H      -6.614168     -5.562070      5.807429
  H     -10.625596     -4.020384      5.344273
  H     -10.013938     -3.198436      3.048221
  H      -6.622506     -3.613001      1.469629
  H      -4.266999     -6.859012      7.469525
  H      -3.607975     -3.935311     10.565279
  H      -2.646158     -2.371380      8.866723
  H      -1.642904     -2.051725      6.754545
  N      -5.020355     -3.228517      5.246740
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.639539834769
  N      -2.675992     -3.505030      2.350461
  C      -2.027331     -4.575374      1.596613
  C      -2.083945     -5.912275      2.308776
  N      -3.419329     -6.176361      2.849406
  C      -4.455995     -6.355461      1.834130
  C      -5.820588     -6.111241      2.454278
  N      -5.776419     -4.978608      3.385604
  Mo     -4.161192     -4.044910      4.062331
  N      -3.400739     -5.354911      5.444996
  C      -2.834587     -6.673067      5.154499
  C      -3.410624     -7.229002      3.866327
  H      -3.027599     -7.379209      5.976007
  H      -1.734793     -6.583111      5.087816
  H      -4.444606     -7.553763      4.042879
  H      -2.833607     -8.113003      3.532845
  H      -6.558327     -5.936147      1.652682
  H      -6.181481     -7.001181      3.004700
  H      -4.282792     -5.619351      1.038181
  H      -4.421078     -7.362611      1.374832
  H      -0.969016     -4.378447      1.370043
  H      -2.521896     -4.652675      0.608345
  H      -1.384886     -5.894095      3.156909
  H      -1.756461     -6.721265      1.625066
  C      -2.172916     -2.258281      2.169577
  C      -0.809564     -1.992504      1.845939
  C      -0.318840     -0.702611      1.691214
  C       1.121330     -0.542519      1.411030
  O       1.926894     -1.447126      1.243528
  C       1.674030      0.887070      1.296991
  O       2.039316      1.452893      0.317504
  F       1.843328      1.434095      2.547630
  C      -1.164188      0.429628      1.792741
  C      -2.498035      0.213048      2.059897
  C      -3.014897     -1.085612      2.269072
  C      -4.431290     -1.201550      2.443087
  O      -5.037167     -2.210801      2.853242
  C      -7.066154     -4.668957      3.896038
  C      -7.391064     -5.053968      5.203545
  C      -8.671771     -4.811486      5.713006
  C      -9.078628     -5.260891      7.066237
  O     -10.211807     -5.604058      7.350825
  C      -8.014394     -5.178232      8.193771
  O      -6.950668     -4.641363      8.154302
  F      -8.476570     -5.756601      9.330822
  C      -9.643247     -4.170647      4.917233
  C      -9.308243     -3.743454      3.645057
  C      -8.025720     -3.984017      3.119082
  C      -7.682491     -3.462387      1.774767
  O      -8.475755     -2.877672      1.050774
  C      -3.402141     -4.990891      6.779347
  C      -3.870280     -5.867672      7.777983
  C      -3.979993     -5.457038      9.105926
  C      -4.548174     -6.342785     10.146440
  O      -4.352381     -6.200812     11.341412
  C      -5.499653     -7.482217      9.690908
  O      -6.120829     -7.561729      8.673599
  F      -5.616240     -8.421046     10.659190
  C      -3.526078     -4.178160      9.503903
  C      -3.011545     -3.325616      8.551558
  C      -2.965893     -3.692094      7.186531
  C      -2.296195     -2.802387      6.261099
  O      -2.363441     -2.843637      5.020566
  H      -0.083967     -2.801475      1.775615
  H      -0.778938      1.439978      1.650744
  H      -3.191392      1.055511      2.118380
  H      -5.036961     -0.312774      2.170257
  H      -6.630659     -5.546178      5.807710
  H     -10.638457     -3.999056      5.327993
  H     -10.022572     -3.199955      3.024445
  H      -6.627164     -3.614961      1.459351
  H      -4.242849     -6.846958      7.485822
  H      -3.602767     -3.888560     10.551130
  H      -2.650052     -2.335161      8.836634
  H      -1.628747     -2.045481      6.720987
  N      -5.012190     -3.217811      5.234549
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.640611726883
  N      -2.678190     -3.517203      2.345711
  C      -2.025562     -4.588884      1.597297
  C      -2.090324     -5.924398      2.312532
  N      -3.429323     -6.183243      2.846361
  C      -4.463819     -6.352940      1.826987
  C      -5.830353     -6.112879      2.444241
  N      -5.789561     -4.983880      3.380415
  Mo     -4.164024     -4.054092      4.051862
  N      -3.400182     -5.355978      5.443040
  C      -2.848391     -6.680451      5.152137
  C      -3.433644     -7.232329      3.866646
  H      -3.044536     -7.384642      5.974496
  H      -1.748340     -6.599472      5.080660
  H      -4.471927     -7.541492      4.045461
  H      -2.869719     -8.126265      3.536878
  H      -6.565134     -5.935550      1.640567
  H      -6.191486     -7.005525      2.990054
  H      -4.287766     -5.609500      1.038440
  H      -4.427815     -7.355907      1.358582
  H      -0.964112     -4.395103      1.383504
  H      -2.510440     -4.665868      0.604562
  H      -1.396759     -5.901868      3.165010
  H      -1.759372     -6.737311      1.635442
  C      -2.174340     -2.270712      2.173083
  C      -0.812871     -2.000397      1.842409
  C      -0.321971     -0.708192      1.713175
  C       1.116843     -0.542277      1.429230
  O       1.923186     -1.442251      1.242056
  C       1.668393      0.889661      1.341872
  O       1.982086      1.495909      0.368585
  F       1.835092      1.414918      2.602066
  C      -1.163467      0.423968      1.845586
  C      -2.497038      0.203942      2.111144
  C      -3.014761     -1.098538      2.292826
  C      -4.432934     -1.218906      2.447099
  O      -5.045307     -2.240003      2.817238
  C      -7.078477     -4.664989      3.883661
  C      -7.405487     -5.028032      5.197593
  C      -8.686410     -4.775853      5.703549
  C      -9.098753     -5.203692      7.062108
  O     -10.240438     -5.507196      7.358230
  C      -8.019031     -5.187250      8.178819
  O      -6.950129     -4.659301      8.153046
  F      -8.476350     -5.807340      9.294936
  C      -9.656378     -4.147928      4.895321
  C      -9.320742     -3.743975      3.616016
  C      -8.038177     -3.993607      3.094799
  C      -7.695496     -3.494236      1.741367
  O      -8.490963     -2.926914      1.006177
  C      -3.390453     -4.987363      6.775322
  C      -3.844404     -5.861016      7.783049
  C      -3.949548     -5.442635      9.109190
  C      -4.509723     -6.322217     10.158935
  O      -4.343625     -6.147678     11.354152
  C      -5.436259     -7.487834      9.715960
  O      -6.058986     -7.590107      8.701457
  F      -5.510275     -8.433257     10.682126
  C      -3.501512     -4.158277      9.496048
  C      -2.995832     -3.309786      8.535480
  C      -2.956283     -3.684152      7.172611
  C      -2.285868     -2.803639      6.239200
  O      -2.353099     -2.857950      4.999228
  H      -0.088341     -2.807791      1.747940
  H      -0.776547      1.436571      1.725359
  H      -3.189249      1.045975      2.187216
  H      -5.033948     -0.323201      2.186776
  H      -6.645269     -5.512382      5.807868
  H     -10.651456     -3.968870      5.303143
  H     -10.034567     -3.211740      2.985068
  H      -6.638381     -3.644090      1.431114
  H      -4.212870     -6.844343      7.500273
  H      -3.575095     -3.862035     10.541676
  H      -2.636554     -2.316166      8.812398
  H      -1.615126     -2.045366      6.691961
  N      -5.003383     -3.210748      5.220286
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.641437767306
  N      -2.680282     -3.524293      2.344080
  C      -2.022725     -4.596285      1.600576
  C      -2.094648     -5.931531      2.316562
  N      -3.437165     -6.186832      2.843132
  C      -4.467003     -6.350235      1.817771
  C      -5.836994     -6.116896      2.429831
  N      -5.802496     -4.991837      3.369457
  Mo     -4.167474     -4.062928      4.039728
  N      -3.400745     -5.360872      5.441530
  C      -2.862089     -6.690005      5.148840
  C      -3.453155     -7.235322      3.863554
  H      -3.062738     -7.394452      5.969810
  H      -1.761754     -6.617455      5.075588
  H      -4.495120     -7.531361      4.042262
  H      -2.900140     -8.136557      3.535529
  H      -6.567315     -5.939145      1.622276
  H      -6.197993     -7.013051      2.969786
  H      -4.288611     -5.599216      1.036954
  H      -4.426322     -7.348722      1.340683
  H      -0.958562     -4.404519      1.399275
  H      -2.498178     -4.672037      0.603647
  H      -1.406130     -5.907465      3.172947
  H      -1.760711     -6.746046      1.643349
  C      -2.177415     -2.278095      2.178294
  C      -0.818761     -2.001573      1.839908
  C      -0.331012     -0.706670      1.733154
  C       1.106356     -0.532801      1.445608
  O       1.914101     -1.427269      1.239917
  C       1.651887      0.902025      1.378778
  O       1.954911      1.526173      0.413611
  F       1.875648      1.385437      2.646320
  C      -1.171098      0.423067      1.893833
  C      -2.503716      0.197725      2.159046
  C      -3.019248     -1.108727      2.316056
  C      -4.438076     -1.237320      2.452177
  O      -5.053554     -2.270882      2.781476
  C      -7.089140     -4.663894      3.866492
  C      -7.414951     -5.003799      5.186828
  C      -8.694581     -4.744176      5.691605
  C      -9.104272     -5.147917      7.057597
  O     -10.251959     -5.407765      7.372591
  C      -8.012319     -5.165135      8.161825
  O      -6.953894     -4.614962      8.150275
  F      -8.464709     -5.801477      9.270033
  C      -9.666515     -4.132180      4.873447
  C      -9.333781     -3.751274      3.586525
  C      -8.051541     -4.007099      3.067968
  C      -7.712188     -3.527821      1.706116
  O      -8.514448     -2.989006      0.957490
  C      -3.382134     -4.990203      6.771734
  C      -3.820991     -5.863756      7.786428
  C      -3.922034     -5.441092      9.111710
  C      -4.473174     -6.315559     10.170472
  O      -4.320388     -6.119705     11.364301
  C      -5.367300     -7.512514      9.744307
  O      -6.034947     -7.620943      8.759345
  F      -5.425893     -8.436814     10.732398
  C      -3.479150     -4.152509      9.490360
  C      -2.984083     -3.305204      8.523876
  C      -2.951470     -3.683225      7.161995
  C      -2.284681     -2.806627      6.223506
  O      -2.350955     -2.868243      4.983869
  H      -0.094514     -2.805866      1.722575
  H      -0.784475      1.437549      1.792382
  H      -3.196467      1.037387      2.251109
  H      -5.036359     -0.335413      2.207885
  H      -6.652752     -5.478324      5.801631
  H     -10.660497     -3.947060      5.280562
  H     -10.049293     -3.231992      2.947094
  H      -6.655265     -3.679231      1.397016
  H      -4.182202     -6.850826      7.510185
  H      -3.548150     -3.852707     10.535080
  H      -2.626917     -2.309545      8.795323
  H      -1.614396     -2.045760      6.672342
  N      -5.000240     -3.207409      5.205094
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.642220958901
  N      -2.676917     -3.535219      2.345227
  C      -2.015007     -4.610007      1.609351
  C      -2.097285     -5.943560      2.328198
  N      -3.444178     -6.192214      2.846559
  C      -4.468296     -6.349890      1.814205
  C      -5.841704     -6.119237      2.419542
  N      -5.811335     -4.997142      3.361940
  Mo     -4.169222     -4.069894      4.030151
  N      -3.404631     -5.362313      5.444663
  C      -2.880035     -6.697943      5.154556
  C      -3.473897     -7.238598      3.868567
  H      -3.089408     -7.400888      5.974381
  H      -1.778893     -6.636692      5.083747
  H      -4.519848     -7.520841      4.045762
  H      -2.931557     -8.147667      3.544415
  H      -6.567031     -5.941018      1.607683
  H      -6.204762     -7.017617      2.954345
  H      -4.285565     -5.593256      1.039691
  H      -4.424708     -7.344988      1.330462
  H      -0.947960     -4.422053      1.420209
  H      -2.480203     -4.685946      0.607848
  H      -1.414155     -5.919564      3.188824
  H      -1.761660     -6.760755      1.659238
  C      -2.176017     -2.288835      2.180623
  C      -0.820662     -2.007746      1.833085
  C      -0.335727     -0.710746      1.740934
  C       1.100132     -0.530747      1.448551
  O       1.909352     -1.421046      1.231114
  C       1.640855      0.905968      1.393783
  O       1.905138      1.553747      0.432739
  F       1.885826      1.371233      2.663863
  C      -1.174921      0.416379      1.923413
  C      -2.506614      0.186986      2.189937
  C      -3.020218     -1.122046      2.330036
  C      -4.439666     -1.257852      2.448968
  O      -5.056373     -2.302008      2.741928
  C      -7.095352     -4.660360      3.855319
  C      -7.424284     -4.995464      5.176142
  C      -8.702052     -4.728609      5.680594
  C      -9.114093     -5.130814      7.045329
  O     -10.271770     -5.315482      7.377727
  C      -8.016688     -5.196342      8.141351
  O      -6.951657     -4.658314      8.141326
  F      -8.459463     -5.884746      9.221918
  C      -9.669941     -4.110894      4.861500
  C      -9.335429     -3.735503      3.573502
  C      -8.054346     -3.998944      3.055594
  C      -7.710299     -3.514140      1.696666
  O      -8.510430     -2.972718      0.947703
  C      -3.381805     -4.985179      6.772332
  C      -3.813410     -5.854082      7.794955
  C      -3.914050     -5.422803      9.117198
  C      -4.462896     -6.290379     10.182180
  O      -4.331945     -6.073019     11.375004
  C      -5.307917     -7.524919      9.766005
  O      -5.969885     -7.670167      8.782140
  F      -5.295573     -8.461928     10.744983
  C      -3.476568     -4.129417      9.486288
  C      -2.984879     -3.287805      8.513671
  C      -2.953165     -3.674446      7.154027
  C      -2.285311     -2.805048      6.210913
  O      -2.347334     -2.875668      4.971566
  H      -0.096773     -2.809277      1.697409
  H      -0.788626      1.432154      1.834405
  H      -3.200214      1.024562      2.293406
  H      -5.036730     -0.351861      2.217091
  H      -6.664723     -5.475359      5.790005
  H     -10.662487     -3.919101      5.268949
  H     -10.047551     -3.212615      2.933293
  H      -6.648216     -3.648156      1.397532
  H      -4.170635     -6.844935      7.527140
  H      -3.545399     -3.822805     10.528962
  H      -2.628677     -2.289934      8.778117
  H      -1.617238     -2.040150      6.656341
  N      -4.996383     -3.199382      5.189595
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.642803074194
  N      -2.670870     -3.540597      2.353412
  C      -2.005419     -4.617413      1.622963
  C      -2.099654     -5.950948      2.340753
  N      -3.451059     -6.192710      2.850784
  C      -4.469822     -6.342927      1.811415
  C      -5.845926     -6.113859      2.411291
  N      -5.816923     -4.997109      3.359134
  Mo     -4.169448     -4.073393      4.026626
  N      -3.408891     -5.365143      5.449810
  C      -2.898474     -6.706937      5.160255
  C      -3.493670     -7.240004      3.871552
  H      -3.118645     -7.410065      5.976940
  H      -1.796281     -6.658314      5.094250
  H      -4.543232     -7.510002      4.046342
  H      -2.960981     -8.155144      3.548285
  H      -6.566872     -5.931369      1.596224
  H      -6.212742     -7.015159      2.938863
  H      -4.282544     -5.580027      1.043939
  H      -4.424592     -7.334252      1.319985
  H      -0.935575     -4.433504      1.445535
  H      -2.460436     -4.691164      0.616663
  H      -1.421144     -5.932199      3.205190
  H      -1.764328     -6.768877      1.672370
  C      -2.173375     -2.293193      2.187075
  C      -0.822298     -2.008231      1.827446
  C      -0.339864     -0.709339      1.745266
  C       1.093786     -0.524813      1.443262
  O       1.902453     -1.412340      1.212095
  C       1.631204      0.913035      1.395469
  O       1.861180      1.578065      0.437098
  F       1.922137      1.354831      2.664030
  C      -1.178186      0.414864      1.948556
  C      -2.508401      0.181911      2.219906
  C      -3.020246     -1.129092      2.347358
  C      -4.439831     -1.271507      2.452974
  O      -5.055777     -2.325395      2.713528
  C      -7.100091     -4.652741      3.848313
  C      -7.431221     -4.971025      5.173583
  C      -8.706721     -4.689487      5.676600
  C      -9.120523     -5.072490      7.046247
  O     -10.281633     -5.208922      7.391834
  C      -8.018088     -5.222921      8.127068
  O      -6.944065     -4.703822      8.150584
  F      -8.458069     -5.983706      9.159911
  C      -9.670943     -4.074076      4.850958
  C      -9.337043     -3.721643      3.556426
  C      -8.058503     -4.000744      3.039794
  C      -7.716421     -3.541448      1.671399
  O      -8.521561     -3.026958      0.908489
  C      -3.382906     -4.983983      6.775990
  C      -3.808488     -5.850199      7.804335
  C      -3.907785     -5.413517      9.124357
  C      -4.451016     -6.280500     10.191452
  O      -4.357381     -6.038801     11.383500
  C      -5.244946     -7.546456      9.776412
  O      -5.901389     -7.718237      8.793379
  F      -5.172390     -8.492438     10.745480
  C      -3.478466     -4.115494      9.487569
  C      -2.989528     -3.277394      8.510970
  C      -2.956473     -3.670503      7.152769
  C      -2.286682     -2.805316      6.208354
  O      -2.343129     -2.881069      4.969035
  H      -0.099167     -2.807355      1.674311
  H      -0.792454      1.431877      1.868149
  H      -3.202810      1.017695      2.334515
  H      -5.037512     -0.362617      2.233779
  H      -6.673223     -5.448096      5.792172
  H     -10.661667     -3.870201      5.257505
  H     -10.048020     -3.205778      2.908968
  H      -6.657430     -3.691940      1.369043
  H      -4.163126     -6.844290      7.542757
  H      -3.547937     -3.804682     10.529133
  H      -2.635006     -2.277397      8.770635
  H      -1.622026     -2.036745      6.653206
  N      -4.990764     -3.192328      5.181086
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.643229999547
  N      -2.662363     -3.544860      2.365840
  C      -1.991159     -4.623197      1.642182
  C      -2.097324     -5.957283      2.357297
  N      -3.453466     -6.193893      2.857272
  C      -4.465550     -6.339647      1.810417
  C      -5.844834     -6.112473      2.404475
  N      -5.817644     -5.000180      3.356691
  Mo     -4.169562     -4.077816      4.025957
  N      -3.414327     -5.371144      5.456390
  C      -2.914759     -6.717375      5.168445
  C      -3.507192     -7.243417      3.875447
  H      -3.147121     -7.421170      5.981195
  H      -1.811604     -6.679940      5.110723
  H      -4.559566     -7.504825      4.046026
  H      -2.980616     -8.162019      3.552359
  H      -6.561568     -5.927008      1.586274
  H      -6.215214     -7.016278      2.925429
  H      -4.274274     -5.571784      1.048693
  H      -4.417271     -7.327951      1.313388
  H      -0.918715     -4.442093      1.477382
  H      -2.434347     -4.695154      0.630472
  H      -1.424324     -5.945963      3.226151
  H      -1.761381     -6.774305      1.687988
  C      -2.171403     -2.296046      2.192513
  C      -0.825458     -2.006806      1.819488
  C      -0.347495     -0.705730      1.739724
  C       1.083030     -0.516381      1.425140
  O       1.891001     -1.401354      1.181775
  C       1.616164      0.922620      1.377610
  O       1.806776      1.601608      0.420150
  F       1.960278      1.344832      2.639122
  C      -1.186830      0.414640      1.958186
  C      -2.514849      0.177246      2.236324
  C      -3.023072     -1.135685      2.358255
  C      -4.442172     -1.286110      2.452602
  O      -5.054611     -2.348475      2.688681
  C      -7.100730     -4.648457      3.840638
  C      -7.435675     -4.954338      5.168161
  C      -8.708747     -4.658070      5.668848
  C      -9.122519     -5.023067      7.043045
  O     -10.284844     -5.110165      7.402977
  C      -8.020067     -5.236282      8.110056
  O      -6.949982     -4.711715      8.165083
  F      -8.459081     -6.054517      9.099309
  C      -9.668477     -4.042566      4.837919
  C      -9.332907     -3.707460      3.539371
  C      -8.056065     -4.000064      3.025196
  C      -7.713195     -3.557454      1.651456
  O      -8.510622     -3.021317      0.895104
  C      -3.388985     -4.987617      6.781314
  C      -3.807906     -5.854618      7.812726
  C      -3.907708     -5.416205      9.131664
  C      -4.439847     -6.287396     10.200594
  O      -4.378167     -6.025062     11.390801
  C      -5.185926     -7.580710      9.790060
  O      -5.862749     -7.769635      8.824569
  F      -5.054588     -8.528680     10.752555
  C      -3.488861     -4.113799      9.492366
  C      -3.003809     -3.275741      8.514153
  C      -2.967356     -3.671915      7.156491
  C      -2.296029     -2.806427      6.214354
  O      -2.343679     -2.883544      4.974725
  H      -0.102192     -2.803096      1.653432
  H      -0.803492      1.432914      1.880244
  H      -3.211254      1.010479      2.358150
  H      -5.042729     -0.377122      2.241675
  H      -6.680551     -5.430267      5.791516
  H     -10.657168     -3.826341      5.243094
  H     -10.041062     -3.194455      2.886508
  H      -6.645814     -3.676446      1.365776
  H      -4.156483     -6.851736      7.554369
  H      -3.559554     -3.801793     10.533528
  H      -2.652809     -2.273850      8.771627
  H      -1.637526     -2.034011      6.662183
  N      -4.989369     -3.190106      5.175017
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.643719367311
  N      -2.651972     -3.546367      2.382813
  C      -1.974178     -4.625826      1.666503
  C      -2.093526     -5.961119      2.377172
  N      -3.454663     -6.192830      2.865471
  C      -4.459338     -6.334004      1.811008
  C      -5.841728     -6.107620      2.399322
  N      -5.815428     -4.999980      3.356492
  Mo     -4.169814     -4.079732      4.029181
  N      -3.421643     -5.376524      5.464170
  C      -2.931799     -6.726269      5.178214
  C      -3.519369     -7.245336      3.880028
  H      -3.177457     -7.430585      5.986658
  H      -1.827971     -6.699403      5.130620
  H      -4.574098     -7.500247      4.045031
  H      -2.996932     -8.165881      3.556727
  H      -6.554251     -5.918119      1.578630
  H      -6.216490     -7.013346      2.913611
  H      -4.263357     -5.562095      1.054459
  H      -4.408441     -7.319674      1.309578
  H      -0.899098     -4.447581      1.516259
  H      -2.403619     -4.695230      0.648745
  H      -1.427127     -5.958921      3.251063
  H      -1.756616     -6.776366      1.706285
  C      -2.168990     -2.296326      2.199132
  C      -0.828465     -2.003322      1.811953
  C      -0.355410     -0.700388      1.728888
  C       1.071092     -0.507025      1.399479
  O       1.877831     -1.389948      1.145137
  C       1.599708      0.932879      1.346218
  O       1.747064      1.622729      0.388836
  F       2.005338      1.338097      2.594313
  C      -1.196013      0.416483      1.958109
  C      -2.521286      0.175051      2.244528
  C      -3.025536     -1.139453      2.366464
  C      -4.443766     -1.296892      2.451192
  O      -5.051996     -2.365779      2.670375
  C      -7.098905     -4.641311      3.834478
  C      -7.439307     -4.941772      5.161363
  C      -8.710712     -4.634376      5.658472
  C      -9.124914     -4.990304      7.033945
  O     -10.285362     -5.013377      7.411867
  C      -8.023951     -5.243008      8.089625
  O      -6.965405     -4.699623      8.177477
  F      -8.456860     -6.110083      9.039713
  C      -9.664812     -4.014514      4.824652
  C      -9.324915     -3.687759      3.525363
  C      -8.048399     -3.989123      3.014942
  C      -7.700015     -3.547000      1.642293
  O      -8.501875     -3.038620      0.871700
  C      -3.398173     -4.993105      6.788524
  C      -3.811011     -5.863235      7.820575
  C      -3.911570     -5.426498      9.139934
  C      -4.433148     -6.302999     10.210575
  O      -4.392401     -6.026710     11.398832
  C      -5.139694     -7.618324      9.808630
  O      -5.844801     -7.823194      8.867338
  F      -4.929124     -8.574140     10.750682
  C      -3.500221     -4.121804      9.501179
  C      -3.018911     -3.281556      8.523319
  C      -2.980314     -3.676829      7.165230
  C      -2.307372     -2.808315      6.227468
  O      -2.345633     -2.883849      4.987430
  H      -0.104895     -2.796824      1.636215
  H      -0.815818      1.435646      1.878066
  H      -3.219690      1.005756      2.370502
  H      -5.047698     -0.389579      2.243628
  H      -6.688794     -5.420124      5.788291
  H     -10.651770     -3.788252      5.227914
  H     -10.028198     -3.171945      2.869809
  H      -6.635669     -3.681364      1.353490
  H      -4.153740     -6.861696      7.562537
  H      -3.571528     -3.811233     10.542516
  H      -2.670575     -2.279008      8.780947
  H      -1.654657     -2.033871      6.680222
  N      -4.991166     -3.187196      5.174302
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.644062589317
  N      -2.638939     -3.547495      2.404386
  C      -1.955210     -4.627799      1.694149
  C      -2.088175     -5.965351      2.398124
  N      -3.453714     -6.192735      2.876122
  C      -4.452718     -6.327910      1.815537
  C      -5.837154     -6.101586      2.400157
  N      -5.809938     -4.999781      3.364581
  Mo     -4.166665     -4.082478      4.039252
  N      -3.424330     -5.383731      5.475314
  C      -2.943776     -6.736865      5.189692
  C      -3.527509     -7.248801      3.886667
  H      -3.201640     -7.441938      5.993551
  H      -1.839431     -6.720186      5.150685
  H      -4.584006     -7.499324      4.046538
  H      -3.007813     -8.170185      3.561641
  H      -6.546609     -5.905232      1.578632
  H      -6.216450     -7.009311      2.907475
  H      -4.252070     -5.552313      1.063780
  H      -4.400495     -7.311356      1.310068
  H      -0.877327     -4.452928      1.560701
  H      -2.369698     -4.693099      0.669921
  H      -1.427795     -5.973137      3.276486
  H      -1.751269     -6.778610      1.724805
  C      -2.165584     -2.295816      2.207594
  C      -0.831115     -1.998084      1.803026
  C      -0.364406     -0.693311      1.710751
  C       1.056900     -0.495272      1.362898
  O       1.864187     -1.375868      1.101833
  C       1.577976      0.946349      1.292273
  O       1.671864      1.642321      0.332358
  F       2.046457      1.345711      2.519397
  C      -1.206628      0.420434      1.948324
  C      -2.527917      0.174331      2.247646
  C      -3.026569     -1.141936      2.375724
  C      -4.443735     -1.304934      2.456120
  O      -5.047793     -2.378191      2.666505
  C      -7.094818     -4.632148      3.833513
  C      -7.443307     -4.924202      5.160088
  C      -8.712301     -4.598802      5.651976
  C      -9.130983     -4.939770      7.029424
  O     -10.286555     -4.901999      7.422346
  C      -8.040212     -5.275420      8.069325
  O      -6.979427     -4.745337      8.200363
  F      -8.484723     -6.205284      8.953038
  C      -9.656745     -3.971458      4.813113
  C      -9.310607     -3.659020      3.512006
  C      -8.036011     -3.977114      3.006625
  C      -7.682770     -3.548365      1.630648
  O      -8.482437     -3.046833      0.853263
  C      -3.403406     -5.000672      6.799998
  C      -3.815025     -5.871968      7.832257
  C      -3.919681     -5.435740      9.151422
  C      -4.444983     -6.315512     10.217874
  O      -4.436398     -6.031322     11.405173
  C      -5.093477     -7.657622      9.813699
  O      -5.808657     -7.882957      8.885004
  F      -4.823723     -8.612971     10.742483
  C      -3.514732     -4.129802      9.514461
  C      -3.032248     -3.289037      8.537647
  C      -2.988475     -3.684185      7.179454
  C      -2.312460     -2.812585      6.246581
  O      -2.342299     -2.886407      5.006272
  H      -0.106648     -2.788476      1.618038
  H      -0.831245      1.440888      1.861589
  H      -3.228782      1.002564      2.376789
  H      -5.051535     -0.400395      2.248238
  H      -6.699702     -5.406109      5.792749
  H     -10.641486     -3.730043      5.213036
  H     -10.007132     -3.141047      2.850893
  H      -6.619801     -3.692805      1.342679
  H      -4.157239     -6.870613      7.574015
  H      -3.591462     -3.819271     10.555430
  H      -2.686973     -2.285476      8.795593
  H      -1.665128     -2.036626      6.704553
  N      -4.988671     -3.187707      5.182351
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.644327851460
  N      -2.625936     -3.546912      2.426479
  C      -1.934757     -4.627244      1.722705
  C      -2.080927     -5.967894      2.418501
  N      -3.450299     -6.192590      2.886947
  C      -4.444437     -6.322470      1.821251
  C      -5.830387     -6.096813      2.403537
  N      -5.802279     -5.000631      3.375704
  Mo     -4.162012     -4.085242      4.051814
  N      -3.423573     -5.391546      5.486517
  C      -2.950967     -6.747286      5.200719
  C      -3.530851     -7.252698      3.893289
  H      -3.219627     -7.452796      6.000606
  H      -1.846334     -6.739310      5.168954
  H      -4.588319     -7.502035      4.047854
  H      -3.011301     -8.173211      3.565714
  H      -6.537962     -5.893339      1.582505
  H      -6.212898     -7.006354      2.904947
  H      -4.239677     -5.544154      1.073227
  H      -4.390718     -7.304506      1.313286
  H      -0.853950     -4.455047      1.610151
  H      -2.331563     -4.687575      0.691249
  H      -1.426565     -5.985254      3.301153
  H      -1.743724     -6.778809      1.742598
  C      -2.163172     -2.293887      2.215117
  C      -0.834690     -1.991110      1.792731
  C      -0.375280     -0.684782      1.687269
  C       1.040988     -0.482018      1.322912
  O       1.852241     -1.360507      1.066206
  C       1.552333      0.961503      1.227769
  O       1.596247      1.656188      0.263037
  F       2.077471      1.364851      2.429476
  C      -1.219755      0.426447      1.929033
  C      -2.536513      0.175440      2.242824
  C      -3.028275     -1.142572      2.382271
  C      -4.444580     -1.309654      2.463028
  O      -5.044795     -2.384850      2.674967
  C      -7.089206     -4.625602      3.835529
  C      -7.447314     -4.911234      5.160915
  C      -8.714148     -4.566856      5.646535
  C      -9.139174     -4.891429      7.025443
  O     -10.284615     -4.782826      7.435367
  C      -8.064369     -5.302831      8.051884
  O      -7.002495     -4.788177      8.227908
  F      -8.523642     -6.287422      8.866726
  C      -9.647214     -3.930315      4.802472
  C      -9.293302     -3.630822      3.500551
  C      -8.020599     -3.965629      3.001489
  C      -7.661780     -3.548704      1.622860
  O      -8.456860     -3.045149      0.842087
  C      -3.405345     -5.011260      6.812203
  C      -3.815636     -5.885486      7.842839
  C      -3.923536     -5.452654      9.162969
  C      -4.451536     -6.337892     10.223681
  O      -4.496515     -6.039728     11.406772
  C      -5.059534     -7.696113      9.814185
  O      -5.778796     -7.932807      8.891596
  F      -4.759169     -8.650327     10.735474
  C      -3.525679     -4.146088      9.529983
  C      -3.042408     -3.302757      8.555431
  C      -2.993536     -3.695115      7.196628
  C      -2.315557     -2.817978      6.269285
  O      -2.338864     -2.888277      5.028725
  H      -0.108685     -2.778400      1.600742
  H      -0.850483      1.448191      1.832419
  H      -3.240170      1.001180      2.373073
  H      -5.056399     -0.408983      2.250729
  H      -6.711805     -5.397787      5.799597
  H     -10.629742     -3.673428      5.198272
  H      -9.981865     -3.109692      2.833545
  H      -6.600284     -3.702960      1.335477
  H      -4.157440     -6.883886      7.582332
  H      -3.606908     -3.837664     10.571300
  H      -2.699953     -2.298748      8.815547
  H      -1.673321     -2.041271      6.733131
  N      -4.986624     -3.192477      5.194664
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.644549228776
  N      -2.614076     -3.545903      2.443260
  C      -1.914372     -4.628295      1.750438
  C      -2.077235     -5.970658      2.440090
  N      -3.451333     -6.189995      2.897511
  C      -4.438785     -6.315253      1.824940
  C      -5.826876     -6.088249      2.402050
  N      -5.798917     -4.995990      3.380146
  Mo     -4.159918     -4.082623      4.058289
  N      -3.429744     -5.391940      5.496127
  C      -2.967107     -6.751682      5.213334
  C      -3.541813     -7.252101      3.901606
  H      -3.248352     -7.455197      6.010560
  H      -1.862284     -6.753826      5.189474
  H      -4.600714     -7.499236      4.048805
  H      -3.022376     -8.172721      3.574193
  H      -6.531465     -5.878753      1.580442
  H      -6.213029     -6.998434      2.899170
  H      -4.227244     -5.536285      1.079339
  H      -4.383548     -7.297233      1.317076
  H      -0.830226     -4.460387      1.665032
  H      -2.288685     -4.684436      0.710575
  H      -1.430538     -5.995587      3.328110
  H      -1.739744     -6.781441      1.764405
  C      -2.157869     -2.293460      2.217962
  C      -0.833168     -1.989194      1.781912
  C      -0.377477     -0.682803      1.664879
  C       1.036479     -0.479054      1.292720
  O       1.851040     -1.357222      1.044801
  C       1.540271      0.964812      1.168870
  O       1.539026      1.653430      0.198447
  F       2.116698      1.377010      2.342603
  C      -1.222148      0.428661      1.906357
  C      -2.536154      0.176181      2.230022
  C      -3.024100     -1.142233      2.381054
  C      -4.440414     -1.309220      2.462524
  O      -5.040087     -2.383142      2.681979
  C      -7.086725     -4.616600      3.834534
  C      -7.450777     -4.908201      5.156717
  C      -8.715044     -4.554219      5.642228
  C      -9.139746     -4.874677      7.021637
  O     -10.271562     -4.714319      7.452621
  C      -8.079964     -5.367959      8.025328
  O      -7.023939     -4.864229      8.258973
  F      -8.550121     -6.411790      8.756725
  C      -9.640956     -3.904974      4.800443
  C      -9.282429     -3.603726      3.500026
  C      -8.011184     -3.945281      3.001779
  C      -7.649439     -3.521530      1.625468
  O      -8.441366     -3.005928      0.849485
  C      -3.416308     -5.012273      6.822099
  C      -3.828403     -5.886714      7.851803
  C      -3.941571     -5.454624      9.172027
  C      -4.473825     -6.341181     10.229350
  O      -4.548302     -6.038115     11.409633
  C      -5.015687     -7.729100      9.827062
  O      -5.735095     -7.999438      8.913655
  F      -4.648243     -8.671031     10.736689
  C      -3.547727     -4.147932      9.541161
  C      -3.060596     -3.304632      8.568181
  C      -3.005762     -3.696289      7.209703
  C      -2.322906     -2.816695      6.287124
  O      -2.339389     -2.885870      5.046633
  H      -0.106880     -2.775409      1.586213
  H      -0.856413      1.450635      1.800762
  H      -3.240912      1.001220      2.358505
  H      -5.053434     -0.411221      2.243133
  H      -6.720786     -5.404077      5.794624
  H     -10.621250     -3.640162      5.196592
  H      -9.965712     -3.075064      2.833536
  H      -6.588825     -3.676957      1.336001
  H      -4.169140     -6.885209      7.590346
  H      -3.633029     -3.839786     10.582285
  H      -2.718200     -2.300929      8.829645
  H      -1.684448     -2.039975      6.756093
  N      -4.988971     -3.191347      5.198792
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.644723335483
  N      -2.605678     -3.543508      2.454741
  C      -1.897627     -4.627724      1.772758
  C      -2.077097     -5.971346      2.456768
  N      -3.455297     -6.184029      2.904123
  C      -4.436249     -6.300979      1.824678
  C      -5.826369     -6.072410      2.395998
  N      -5.798345     -4.987016      3.382288
  Mo     -4.157535     -4.077554      4.061856
  N      -3.435508     -5.390088      5.502808
  C      -2.985019     -6.754364      5.220854
  C      -3.556884     -7.248092      3.905247
  H      -3.277689     -7.456242      6.015012
  H      -1.880264     -6.767345      5.202842
  H      -4.617477     -7.490842      4.045863
  H      -3.039902     -8.170011      3.577776
  H      -6.527010     -5.853769      1.573571
  H      -6.217442     -6.984161      2.885973
  H      -4.216548     -5.519653      1.083901
  H      -4.381167     -7.281366      1.313838
  H      -0.810762     -4.464643      1.715329
  H      -2.248973     -4.679180      0.724995
  H      -1.437201     -6.002959      3.349382
  H      -1.739974     -6.782420      1.781543
  C      -2.152783     -2.292143      2.219976
  C      -0.831691     -1.988320      1.770996
  C      -0.376477     -0.682499      1.648763
  C       1.035724     -0.480110      1.269455
  O       1.850835     -1.359139      1.026458
  C       1.537961      0.962712      1.131010
  O       1.494905      1.654704      0.163731
  F       2.170919      1.367382      2.276748
  C      -1.218338      0.430223      1.894917
  C      -2.530729      0.178164      2.225718
  C      -3.017747     -1.139931      2.382582
  C      -4.434385     -1.304902      2.466805
  O      -5.034938     -2.377059      2.691630
  C      -7.086583     -4.608189      3.834917
  C      -7.453542     -4.902796      5.155474
  C      -8.718993     -4.550234      5.639037
  C      -9.142304     -4.868448      7.018375
  O     -10.261272     -4.669713      7.467082
  C      -8.093415     -5.405764      8.008356
  O      -7.055770     -4.893351      8.299253
  F      -8.548937     -6.511625      8.653825
  C      -9.643512     -3.899840      4.796875
  C      -9.283130     -3.598321      3.497128
  C      -8.010803     -3.938484      3.000922
  C      -7.651368     -3.519024      1.622478
  O      -8.442995     -2.998896      0.849505
  C      -3.423634     -5.012395      6.829265
  C      -3.836732     -5.886519      7.858591
  C      -3.951989     -5.454790      9.178770
  C      -4.485183     -6.341447     10.234391
  O      -4.597231     -6.027481     11.408958
  C      -4.974149     -7.750752      9.840806
  O      -5.697768     -8.050111      8.939654
  F      -4.547362     -8.677518     10.739746
  C      -3.560469     -4.148134      9.549075
  C      -3.069927     -3.305584      8.577192
  C      -3.012136     -3.696758      7.219061
  C      -2.324733     -2.816895      6.299579
  O      -2.336703     -2.885771      5.059408
  H      -0.107400     -2.774387      1.567899
  H      -0.853526      1.451829      1.785043
  H      -3.234802      1.003420      2.355170
  H      -5.046971     -0.407497      2.244800
  H      -6.724652     -5.399988      5.793864
  H     -10.624438     -3.636063      5.191949
  H      -9.966368     -3.072678      2.828424
  H      -6.592234     -3.677242      1.329429
  H      -4.178102     -6.884754      7.597543
  H      -3.647366     -3.840135     10.590002
  H      -2.725708     -2.302887      8.839690
  H      -1.687361     -2.041490      6.772019
  N      -4.989019     -3.186736      5.202228
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.644877487270
  N      -2.600799     -3.543548      2.461756
  C      -1.882370     -4.630652      1.794637
  C      -2.077129     -5.973844      2.476551
  N      -3.459152     -6.180375      2.913628
  C      -4.432858     -6.289476      1.827018
  C      -5.825967     -6.058841      2.390047
  N      -5.799946     -4.980155      3.384022
  Mo     -4.156780     -4.073088      4.065254
  N      -3.443619     -5.386227      5.512029
  C      -3.004424     -6.755312      5.232254
  C      -3.572829     -7.244210      3.913289
  H      -3.307998     -7.454961      6.023930
  H      -1.899790     -6.778599      5.220249
  H      -4.635459     -7.481239      4.047101
  H      -3.059083     -8.168897      3.588421
  H      -6.520440     -5.831834      1.564765
  H      -6.223148     -6.972294      2.871805
  H      -4.203641     -5.506056      1.091350
  H      -4.378244     -7.268110      1.312735
  H      -0.793575     -4.471446      1.765449
  H      -2.209561     -4.680693      0.739288
  H      -1.444178     -6.008459      3.373920
  H      -1.738624     -6.786571      1.804094
  C      -2.149736     -2.293561      2.218417
  C      -0.832209     -1.991443      1.756620
  C      -0.376687     -0.686330      1.629202
  C       1.033588     -0.486904      1.240122
  O       1.845193     -1.367919      0.992814
  C       1.536965      0.954093      1.088524
  O       1.444481      1.654531      0.130461
  F       2.240575      1.342013      2.197195
  C      -1.214741      0.428174      1.880188
  C      -2.526187      0.177332      2.217027
  C      -3.012930     -1.139945      2.379192
  C      -4.430081     -1.302630      2.468187
  O      -5.031901     -2.372052      2.700190
  C      -7.087261     -4.599212      3.834373
  C      -7.460626     -4.908240      5.149451
  C      -8.726332     -4.558330      5.632317
  C      -9.149358     -4.890931      7.006870
  O     -10.258020     -4.670830      7.471800
  C      -8.113835     -5.486769      7.975181
  O      -7.097210     -4.976197      8.335235
  F      -8.555664     -6.655289      8.512010
  C      -9.645887     -3.893906      4.795561
  C      -9.278809     -3.575957      3.501477
  C      -8.005006     -3.913192      3.006386
  C      -7.635520     -3.468154      1.638534
  O      -8.420852     -2.931242      0.870773
  C      -3.434481     -5.007345      6.837769
  C      -3.846987     -5.879913      7.868675
  C      -3.964975     -5.445698      9.187466
  C      -4.491715     -6.333276     10.244148
  O      -4.652384     -6.003206     11.408822
  C      -4.917568     -7.766029      9.863954
  O      -5.639055     -8.104411      8.974988
  F      -4.435798     -8.664464     10.763616
  C      -3.580747     -4.136215      9.555629
  C      -3.086921     -3.296008      8.583380
  C      -3.023301     -3.690638      7.226707
  C      -2.328509     -2.814510      6.309349
  O      -2.333968     -2.886253      5.069668
  H      -0.110971     -2.778056      1.545484
  H      -0.850182      1.449187      1.765760
  H      -3.229521      1.003139      2.346469
  H      -5.041434     -0.405063      2.243650
  H      -6.735476     -5.416520      5.784133
  H     -10.627232     -3.631970      5.190892
  H      -9.956594     -3.038166      2.836977
  H      -6.575436     -3.625145      1.347806
  H      -4.185868     -6.879935      7.610986
  H      -3.670410     -3.825877     10.595558
  H      -2.742691     -2.293099      8.845013
  H      -1.692283     -2.039750      6.784560
  N      -4.989182     -3.181068      5.203554
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.644995883716
  N      -2.598016     -3.539298      2.468393
  C      -1.866428     -4.628336      1.817952
  C      -2.075312     -5.971239      2.497533
  N      -3.461518     -6.172597      2.922033
  C      -4.426307     -6.270735      1.826729
  C      -5.823458     -6.038962      2.379064
  N      -5.801421     -4.969827      3.383095
  Mo     -4.156688     -4.066015      4.070540
  N      -3.455185     -5.382289      5.521857
  C      -3.027275     -6.755745      5.242286
  C      -3.590088     -7.237330      3.918278
  H      -3.343067     -7.454449      6.029938
  H      -1.922837     -6.789606      5.238140
  H      -4.655408     -7.467049      4.043274
  H      -3.080593     -8.165471      3.596223
  H      -6.509261     -5.800684      1.549483
  H      -6.228872     -6.955587      2.848158
  H      -4.186025     -5.483057      1.099189
  H      -4.372005     -7.245833      1.305561
  H      -0.776676     -4.470847      1.816483
  H      -2.168482     -4.678014      0.755222
  H      -1.450246     -6.008458      3.400285
  H      -1.733505     -6.785061      1.827897
  C      -2.146872     -2.290275      2.219037
  C      -0.832674     -1.991911      1.745110
  C      -0.375488     -0.687773      1.610627
  C       1.032175     -0.494430      1.207183
  O       1.835823     -1.379813      0.949509
  C       1.542481      0.943378      1.047638
  O       1.391614      1.662059      0.110194
  F       2.331655      1.300031      2.107205
  C      -1.208438      0.429217      1.866296
  C      -2.519088      0.181236      2.210190
  C      -3.007057     -1.134375      2.378149
  C      -4.424419     -1.293285      2.476451
  O      -5.028213     -2.359281      2.717311
  C      -7.088896     -4.591500      3.832671
  C      -7.464323     -4.906815      5.145742
  C      -8.730733     -4.560780      5.628164
  C      -9.151067     -4.906758      6.998844
  O     -10.251536     -4.673021      7.477569
  C      -8.125359     -5.545661      7.947783
  O      -7.136611     -5.034598      8.377150
  F      -8.543685     -6.767922      8.375476
  C      -9.649404     -3.890241      4.795083
  C      -9.280977     -3.566079      3.502877
  C      -8.006845     -3.902302      3.007116
  C      -7.636366     -3.454551      1.640473
  O      -8.418328     -2.906618      0.876786
  C      -3.447200     -5.004470      6.847513
  C      -3.858776     -5.877294      7.879072
  C      -3.977360     -5.442391      9.197515
  C      -4.501777     -6.330338     10.254545
  O      -4.693718     -5.990621     11.411991
  C      -4.874494     -7.780320      9.887461
  O      -5.597030     -8.153835      9.013827
  F      -4.335227     -8.651756     10.781500
  C      -3.596054     -4.131639      9.565481
  C      -3.099320     -3.292606      8.593746
  C      -3.033441     -3.688177      7.237393
  C      -2.331141     -2.815976      6.322680
  O      -2.330986     -2.888256      5.083108
  H      -0.116092     -2.780304      1.525208
  H      -0.843174      1.449176      1.746002
  H      -3.221034      1.008429      2.339405
  H      -5.033894     -0.394286      2.252080
  H      -6.738866     -5.417771      5.778979
  H     -10.631752     -3.631979      5.190835
  H      -9.958048     -3.025672      2.839592
  H      -6.578820     -3.621880      1.346378
  H      -4.197318     -6.878178      7.623675
  H      -3.687340     -3.820269     10.605043
  H      -2.753395     -2.290290      8.855998
  H      -1.693732     -2.043929      6.801154
  N      -4.990055     -3.174876      5.208285
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.645068306207
  N      -2.602146     -3.536183      2.466197
  C      -1.861932     -4.625744      1.826119
  C      -2.072835     -5.967568      2.507607
  N      -3.460576     -6.168942      2.925506
  C      -4.421199     -6.261228      1.826350
  C      -5.820822     -6.029526      2.372528
  N      -5.802449     -4.965020      3.380779
  Mo     -4.158475     -4.062329      4.074781
  N      -3.462369     -5.380670      5.526894
  C      -3.036700     -6.754861      5.246450
  C      -3.596237     -7.233593      3.920043
  H      -3.356606     -7.453960      6.032191
  H      -1.932325     -6.791291      5.246109
  H      -4.663020     -7.459164      4.040984
  H      -3.089384     -8.164090      3.600432
  H      -6.500806     -5.786311      1.539388
  H      -6.231214     -6.948021      2.833940
  H      -4.176087     -5.470540      1.103773
  H      -4.367031     -7.233670      1.300127
  H      -0.772583     -4.465573      1.831653
  H      -2.155191     -4.679373      0.760960
  H      -1.451704     -6.002843      3.413173
  H      -1.726634     -6.782068      1.840826
  C      -2.149301     -2.287019      2.216195
  C      -0.834618     -1.991529      1.742372
  C      -0.376350     -0.687948      1.601451
  C       1.031699     -0.500008      1.195370
  O       1.830483     -1.389599      0.937041
  C       1.549003      0.935298      1.033862
  O       1.374844      1.664455      0.108458
  F       2.373247      1.275223      2.071601
  C      -1.208276      0.430336      1.852461
  C      -2.518924      0.184573      2.198578
  C      -3.007820     -1.129471      2.372571
  C      -4.424635     -1.285324      2.481960
  O      -5.029229     -2.348315      2.732319
  C      -7.090674     -4.591272      3.831863
  C      -7.468062     -4.911185      5.143655
  C      -8.736577     -4.569630      5.624152
  C      -9.157587     -4.926070      6.991729
  O     -10.264761     -4.712242      7.464572
  C      -8.126744     -5.553393      7.942111
  O      -7.157917     -5.025036      8.394376
  F      -8.516015     -6.797037      8.336906
  C      -9.655125     -3.897591      4.792291
  C      -9.284345     -3.566941      3.502648
  C      -8.008846     -3.899570      3.008061
  C      -7.634166     -3.444861      1.645178
  O      -8.412603     -2.890540      0.882354
  C      -3.451777     -5.004208      6.852634
  C      -3.861527     -5.877917      7.884794
  C      -3.975879     -5.443450      9.203743
  C      -4.499906     -6.331603     10.261480
  O      -4.690730     -5.990599     11.418757
  C      -4.870436     -7.781564      9.894383
  O      -5.591783     -8.159141      9.022066
  F      -4.329152     -8.650062     10.791190
  C      -3.592339     -4.133019      9.571641
  C      -3.096622     -3.293970      8.599529
  C      -3.034263     -3.689084      7.242571
  C      -2.329900     -2.819917      6.327333
  O      -2.329224     -2.891947      5.087482
  H      -0.119334     -2.781333      1.524011
  H      -0.842393      1.449317      1.727496
  H      -3.220402      1.012696      2.325092
  H      -5.033023     -0.384928      2.259582
  H      -6.742207     -5.422081      5.776835
  H     -10.639016     -3.643357      5.186949
  H      -9.960327     -3.023387      2.840718
  H      -6.576595     -3.615381      1.353185
  H      -4.201985     -6.878663      7.630769
  H      -3.681724     -3.821764     10.611451
  H      -2.748932     -2.292273      8.861959
  H      -1.688954     -2.050645      6.805684
  N      -4.991298     -3.172523      5.214432
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.645137780660
  N      -2.604932     -3.533388      2.466578
  C      -1.850763     -4.624675      1.845085
  C      -2.068328     -5.964812      2.528323
  N      -3.459886     -6.165639      2.931658
  C      -4.411910     -6.248865      1.824498
  C      -5.815858     -6.017692      2.360482
  N      -5.803198     -4.959821      3.374906
  Mo     -4.162190     -4.059439      4.081034
  N      -3.476659     -5.382061      5.535255
  C      -3.056768     -6.758096      5.254499
  C      -3.609574     -7.230732      3.922994
  H      -3.387155     -7.457473      6.035794
  H      -1.952662     -6.801464      5.263174
  H      -4.679044     -7.447909      4.036119
  H      -3.107944     -8.165278      3.606768
  H      -6.486757     -5.767594      1.521822
  H      -6.233823     -6.938535      2.810513
  H      -4.159453     -5.453181      1.109990
  H      -4.355967     -7.217290      1.291021
  H      -0.762190     -4.461765      1.864445
  H      -2.127223     -4.684972      0.775534
  H      -1.456668     -5.998909      3.440385
  H      -1.714072     -6.780211      1.866669
  C      -2.151825     -2.283899      2.212832
  C      -0.836706     -1.990062      1.738954
  C      -0.379385     -0.686815      1.586665
  C       1.029832     -0.504354      1.180899
  O       1.825440     -1.398500      0.928019
  C       1.551030      0.928249      1.007518
  O       1.338600      1.667140      0.097641
  F       2.424334      1.253273      2.008228
  C      -1.212141      0.432132      1.828927
  C      -2.521702      0.187593      2.180001
  C      -3.009887     -1.124964      2.364664
  C      -4.425529     -1.277445      2.487302
  O      -5.030141     -2.337728      2.747461
  C      -7.092171     -4.588676      3.825718
  C      -7.471632     -4.916450      5.135105
  C      -8.739390     -4.574459      5.617228
  C      -9.158346     -4.945327      6.981905
  O     -10.265080     -4.736548      7.458437
  C      -8.126286     -5.585039      7.921782
  O      -7.177206     -5.054643      8.410750
  F      -8.495636     -6.852294      8.261001
  C      -9.655568     -3.892884      4.791028
  C      -9.283150     -3.554643      3.503728
  C      -8.008905     -3.888510      3.006642
  C      -7.631373     -3.424299      1.647815
  O      -8.406561     -2.859777      0.889000
  C      -3.462445     -5.005247      6.860556
  C      -3.869066     -5.878958      7.894987
  C      -3.977919     -5.443850      9.214342
  C      -4.495834     -6.333708     10.275264
  O      -4.688151     -5.990025     11.431318
  C      -4.850389     -7.788323      9.913288
  O      -5.567942     -8.180083      9.044624
  F      -4.297124     -8.646704     10.814795
  C      -3.593830     -4.132966      9.580508
  C      -3.100610     -3.294694      8.606722
  C      -3.041256     -3.691066      7.249547
  C      -2.332019     -2.826814      6.334480
  O      -2.327394     -2.900246      5.094329
  H      -0.120683     -2.780226      1.525532
  H      -0.847201      1.450210      1.695478
  H      -3.223668      1.016051      2.302522
  H      -5.033432     -0.375522      2.269026
  H      -6.746845     -5.432717      5.765441
  H     -10.638718     -3.638265      5.187362
  H      -9.956682     -3.002705      2.846078
  H      -6.574342     -3.597550      1.356137
  H      -4.210072     -6.880205      7.643850
  H      -3.680175     -3.821310     10.620540
  H      -2.751341     -2.293163      8.867869
  H      -1.687988     -2.060161      6.812931
  N      -4.993818     -3.171086      5.222391
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.645191437371
  N      -2.606270     -3.528957      2.469912
  C      -1.838534     -4.621196      1.866728
  C      -2.062926     -5.959825      2.551268
  N      -3.458418     -6.160411      2.939136
  C      -4.401169     -6.233979      1.823274
  C      -5.809364     -6.002952      2.349015
  N      -5.801644     -4.952694      3.370702
  Mo     -4.164211     -4.056062      4.089709
  N      -3.489964     -5.385178      5.544782
  C      -3.077732     -6.763330      5.263701
  C      -3.622628     -7.227369      3.926009
  H      -3.421714     -7.462894      6.039040
  H      -1.974211     -6.815817      5.283301
  H      -4.694569     -7.436186      4.030519
  H      -3.126064     -8.165109      3.611312
  H      -6.471512     -5.744804      1.505748
  H      -6.234990     -6.925648      2.787805
  H      -4.141251     -5.433272      1.117212
  H      -4.342638     -7.198555      1.283232
  H      -0.750878     -4.454939      1.901243
  H      -2.097673     -4.688167      0.793065
  H      -1.461670     -5.992955      3.470201
  H      -1.700455     -6.776022      1.895012
  C      -2.153952     -2.280110      2.210874
  C      -0.839637     -1.988172      1.733368
  C      -0.383460     -0.685882      1.567241
  C       1.026116     -0.509183      1.159710
  O       1.820567     -1.407751      0.918793
  C       1.550167      0.920604      0.972087
  O       1.300271      1.667571      0.078172
  F       2.474312      1.230622      1.929629
  C      -1.216731      0.434170      1.801574
  C      -2.524240      0.191070      2.160883
  C      -3.011448     -1.119970      2.358840
  C      -4.425694     -1.268167      2.496528
  O      -5.029793     -2.326134      2.767240
  C      -7.091669     -4.584265      3.821026
  C      -7.474579     -4.922140      5.126844
  C      -8.742752     -4.581573      5.609296
  C      -9.161028     -4.963017      6.971608
  O     -10.267540     -4.759978      7.450769
  C      -8.129262     -5.614168      7.903214
  O      -7.200167     -5.083841      8.428384
  F      -8.473794     -6.904207      8.182713
  C      -9.656418     -3.892297      4.787517
  C      -9.280751     -3.544771      3.503540
  C      -8.006247     -3.876284      3.006040
  C      -7.625878     -3.400973      1.651790
  O      -8.399629     -2.831071      0.895663
  C      -3.471675     -5.008602      6.869576
  C      -3.875811     -5.882077      7.905758
  C      -3.980738     -5.446423      9.225295
  C      -4.493520     -6.337473     10.288880
  O      -4.688404     -5.991580     11.443558
  C      -4.833053     -7.796670      9.932067
  O      -5.542638     -8.201310      9.063009
  F      -4.273279     -8.646030     10.839810
  C      -3.596702     -4.135279      9.590097
  C      -3.104788     -3.297885      8.615106
  C      -3.047189     -3.695264      7.257918
  C      -2.332915     -2.835036      6.343429
  O      -2.324503     -2.910248      5.102949
  H      -0.122660     -2.778843      1.525396
  H      -0.853556      1.451110      1.656838
  H      -3.226175      1.019966      2.280443
  H      -5.033926     -0.365189      2.283627
  H      -6.751785     -5.444667      5.754502
  H     -10.639552     -3.638340      5.184256
  H      -9.952122     -2.986201      2.849290
  H      -6.567903     -3.570877      1.361557
  H      -4.217683     -6.883354      7.656540
  H      -3.680745     -3.823569     10.630311
  H      -2.754172     -2.296555      8.875021
  H      -1.686662     -2.070271      6.821642
  N      -4.995471     -3.171162      5.234570
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.645245834640
  N      -2.604608     -3.521348      2.479817
  C      -1.818133     -4.614791      1.903147
  C      -2.054319     -5.951581      2.588283
  N      -3.456013     -6.151232      2.951380
  C      -4.383284     -6.210571      1.821352
  C      -5.797903     -5.978760      2.330563
  N      -5.797414     -4.940978      3.364297
  Mo     -4.165375     -4.051342      4.103502
  N      -3.509423     -5.392670      5.559706
  C      -3.111087     -6.774441      5.277448
  C      -3.642454     -7.222800      3.929223
  H      -3.478568     -7.474296      6.041728
  H      -2.008965     -6.843008      5.315172
  H      -4.717802     -7.419829      4.019307
  H      -3.152518     -8.163882      3.614343
  H      -6.446749     -5.707094      1.481123
  H      -6.235184     -6.903751      2.752508
  H      -4.111296     -5.403073      1.127923
  H      -4.319953     -7.169992      1.272974
  H      -0.732198     -4.444369      1.963058
  H      -2.050250     -4.690186      0.823745
  H      -1.470288     -5.983736      3.518229
  H      -1.679553     -6.768969      1.940418
  C      -2.154379     -2.273789      2.212562
  C      -0.842513     -1.983663      1.726468
  C      -0.388224     -0.682953      1.542157
  C       1.020787     -0.513570      1.128903
  O       1.809998     -1.417816      0.891860
  C       1.542060      0.911939      0.902958
  O       1.227350      1.663680      0.033282
  F       2.543892      1.210041      1.780761
  C      -1.221779      0.438603      1.769352
  C      -2.525636      0.196920      2.142150
  C      -3.011174     -1.112377      2.357235
  C      -4.423306     -1.254702      2.515014
  O      -5.026460     -2.310635      2.796985
  C      -7.089272     -4.576691      3.812934
  C      -7.476657     -4.927654      5.113768
  C      -8.745454     -4.589536      5.596438
  C      -9.162108     -4.980688      6.956623
  O     -10.264610     -4.775959      7.443608
  C      -8.131543     -5.650871      7.875327
  O      -7.229485     -5.126273      8.450101
  F      -8.443010     -6.966110      8.072822
  C      -9.656118     -3.891209      4.779909
  C      -9.276476     -3.532747      3.499853
  C      -8.001246     -3.860551      3.002336
  C      -7.618668     -3.373371      1.652737
  O      -8.392314     -2.800614      0.898903
  C      -3.485591     -5.017056      6.883903
  C      -3.886359     -5.890341      7.922200
  C      -3.986608     -5.454431      9.241984
  C      -4.491192     -6.346779     10.309281
  O      -4.692077     -5.997435     11.461589
  C      -4.810641     -7.812464      9.960239
  O      -5.507780     -8.233672      9.089026
  F      -4.246729     -8.649206     10.878320
  C      -3.603320     -4.142857      9.605402
  C      -3.112618     -3.306479      8.629202
  C      -3.056769     -3.704657      7.271993
  C      -2.335464     -2.848987      6.359292
  O      -2.321405     -2.926618      5.118337
  H      -0.124509     -2.774635      1.523537
  H      -0.861970      1.454021      1.608877
  H      -3.227213      1.026309      2.260140
  H      -5.032482     -0.350413      2.311321
  H      -6.756550     -5.458305      5.738061
  H     -10.639408     -3.638205      5.176882
  H      -9.945953     -2.967919      2.849051
  H      -6.558873     -3.535946      1.364476
  H      -4.228874     -6.891668      7.674822
  H      -3.684345     -3.831559     10.645984
  H      -2.760028     -2.305515      8.887702
  H      -1.687194     -2.086265      6.837536
  N      -4.997715     -3.173691      5.253268
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.645305051512
  N      -2.601232     -3.513984      2.491340
  C      -1.801316     -4.608089      1.934618
  C      -2.046933     -5.943386      2.619948
  N      -3.453672     -6.142933      2.962038
  C      -4.367592     -6.193268      1.820174
  C      -5.787275     -5.959811      2.315555
  N      -5.792532     -4.931877      3.359090
  Mo     -4.165662     -4.048007      4.114792
  N      -3.524362     -5.401123      5.571613
  C      -3.137948     -6.785802      5.288183
  C      -3.656489     -7.220021      3.930585
  H      -3.526576     -7.485847      6.041779
  H      -2.037478     -6.868391      5.342077
  H      -4.733982     -7.410103      4.007977
  H      -3.169404     -8.161635      3.613139
  H      -6.425790     -5.677136      1.461930
  H      -6.233421     -6.885956      2.725284
  H      -4.085996     -5.382072      1.135177
  H      -4.299532     -7.150053      1.268060
  H      -0.717162     -4.434212      2.015859
  H      -2.012178     -4.689519      0.851311
  H      -1.478435     -5.973611      3.559493
  H      -1.661459     -6.761913      1.979827
  C      -2.154327     -2.267853      2.215668
  C      -0.845809     -1.978651      1.719014
  C      -0.394298     -0.679480      1.518334
  C       1.011807     -0.515074      1.092315
  O       1.804138     -1.422542      0.879333
  C       1.532086      0.907378      0.842540
  O       1.183042      1.660147     -0.013468
  F       2.579166      1.196999      1.667270
  C      -1.227948      0.443230      1.743050
  C      -2.527833      0.202119      2.129299
  C      -3.011081     -1.106136      2.358392
  C      -4.421244     -1.245144      2.530982
  O      -5.022971     -2.300791      2.819227
  C      -7.086092     -4.570676      3.805438
  C      -7.475822     -4.930268      5.102840
  C      -8.744547     -4.593755      5.586336
  C      -9.158808     -4.986199      6.946744
  O     -10.256131     -4.774601      7.441827
  C      -8.129163     -5.672261      7.855157
  O      -7.241047     -5.156541      8.458540
  F      -8.424395     -6.998733      8.004108
  C      -9.653768     -3.890128      4.773040
  C      -9.272168     -3.525002      3.495102
  C      -7.996156     -3.849622      2.997577
  C      -7.612533     -3.353389      1.651346
  O      -8.387914     -2.782979      0.897679
  C      -3.496597     -5.026532      6.895303
  C      -3.894217     -5.900222      7.934787
  C      -3.991596     -5.464969      9.254836
  C      -4.488849     -6.358071     10.324886
  O      -4.689017     -6.007610     11.476873
  C      -4.798447     -7.827866      9.981196
  O      -5.484665     -8.257213      9.104967
  F      -4.239876     -8.657530     10.908356
  C      -3.609333     -4.152950      9.617842
  C      -3.119855     -3.316640      8.641128
  C      -3.065264     -3.714497      7.283716
  C      -2.340141     -2.860721      6.372875
  O      -2.322731     -2.939851      5.131431
  H      -0.127598     -2.769860      1.517603
  H      -0.872184      1.457555      1.569132
  H      -3.229062      1.031731      2.247766
  H      -5.032310     -0.340724      2.334879
  H      -6.757494     -5.466535      5.724633
  H     -10.636976     -3.637310      5.170430
  H      -9.941083     -2.957036      2.846444
  H      -6.550310     -3.505574      1.365689
  H      -4.236136     -6.901696      7.687692
  H      -3.688029     -3.842610     10.658889
  H      -2.766116     -2.315875      8.898904
  H      -1.691796     -2.098289      6.850975
  N      -5.001428     -3.178469      5.267941
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.645397357451
  N      -2.593680     -3.503878      2.510010
  C      -1.784265     -4.597514      1.966770
  C      -2.037422     -5.931797      2.651152
  N      -3.448666     -6.132781      2.973555
  C      -4.350096     -6.178076      1.821043
  C      -5.774070     -5.941629      2.303755
  N      -5.784426     -4.922561      3.356670
  Mo     -4.163316     -4.044751      4.128357
  N      -3.534295     -5.412179      5.583669
  C      -3.157989     -6.798788      5.297618
  C      -3.662682     -7.218223      3.930339
  H      -3.566953     -7.499796      6.039457
  H      -2.059484     -6.893710      5.367215
  H      -4.741111     -7.407347      3.994967
  H      -3.173505     -8.156617      3.606999
  H      -6.403708     -5.648324      1.447387
  H      -6.227723     -6.868181      2.703810
  H      -4.059935     -5.366175      1.140699
  H      -4.277800     -7.134526      1.269313
  H      -0.701865     -4.420301      2.066865
  H      -1.978316     -4.681981      0.880724
  H      -1.484748     -5.958488      3.600123
  H      -1.641039     -6.751124      2.018871
  C      -2.150884     -2.259547      2.226185
  C      -0.846338     -1.971636      1.717314
  C      -0.397752     -0.674273      1.501569
  C       1.003422     -0.512972      1.057598
  O       1.799102     -1.421566      0.863935
  C       1.508344      0.905188      0.752662
  O       1.131776      1.630053     -0.115871
  F       2.574795      1.226481      1.539084
  C      -1.231037      0.449745      1.726081
  C      -2.526472      0.209420      2.126726
  C      -3.007406     -1.098017      2.367954
  C      -4.415665     -1.235783      2.551431
  O      -5.015934     -2.292288      2.842100
  C      -7.080460     -4.565078      3.799246
  C      -7.472203     -4.928176      5.094673
  C      -8.742028     -4.594440      5.576493
  C      -9.156392     -4.979026      6.938711
  O     -10.252064     -4.763788      7.435058
  C      -8.124867     -5.663446      7.847960
  O      -7.239093     -5.146687      8.454024
  F      -8.412576     -6.992474      7.991489
  C      -9.651259     -3.892557      4.761289
  C      -9.267834     -3.525263      3.484350
  C      -7.989189     -3.844802      2.990092
  C      -7.603399     -3.342782      1.646557
  O      -8.381179     -2.781631      0.888635
  C      -3.504177     -5.041395      6.907430
  C      -3.899420     -5.917979      7.945289
  C      -3.995436     -5.486932      9.266417
  C      -4.488597     -6.381283     10.336272
  O      -4.677089     -6.034345     11.491383
  C      -4.812264     -7.848780      9.989569
  O      -5.488714     -8.268436      9.100454
  F      -4.282516     -8.684828     10.925111
  C      -3.612660     -4.175609      9.632626
  C      -3.124195     -3.336667      8.657831
  C      -3.071306     -3.730201      7.299089
  C      -2.346288     -2.874402      6.391123
  O      -2.328879     -2.951875      5.148859
  H      -0.129656     -2.763896      1.514219
  H      -0.879314      1.463181      1.540628
  H      -3.226804      1.039420      2.247209
  H      -5.029308     -0.332031      2.362042
  H      -6.755004     -5.465364      5.716903
  H     -10.635603     -3.641155      5.156682
  H      -9.937223     -2.959206      2.834638
  H      -6.537355     -3.480092      1.367080
  H      -4.240470     -6.918760      7.694919
  H      -3.689547     -3.868745     10.674744
  H      -2.769665     -2.336739      8.917628
  H      -1.699081     -2.111653      6.869571
  N      -5.007091     -3.186203      5.284287
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.645494737311
  N      -2.584079     -3.494111      2.530304
  C      -1.758476     -4.588673      2.012848
  C      -2.027363     -5.920312      2.696769
  N      -3.445280     -6.119853      2.989389
  C      -4.327492     -6.154470      1.821780
  C      -5.757661     -5.912205      2.284903
  N      -5.776181     -4.908410      3.353613
  Mo     -4.159911     -4.039303      4.144596
  N      -3.549101     -5.424017      5.600056
  C      -3.192452     -6.815378      5.310132
  C      -3.678923     -7.214882      3.930030
  H      -3.630114     -7.515281      6.036374
  H      -2.097581     -6.930765      5.400147
  H      -4.759038     -7.399742      3.975637
  H      -3.189263     -8.151223      3.601591
  H      -6.371647     -5.600482      1.424051
  H      -6.224106     -6.840187      2.666253
  H      -4.021527     -5.341572      1.149783
  H      -4.252400     -7.109255      1.267872
  H      -0.679875     -4.408675      2.147336
  H      -1.920573     -4.677182      0.922103
  H      -1.498882     -5.940280      3.659528
  H      -1.615390     -6.742573      2.078553
  C      -2.146364     -2.251918      2.233551
  C      -0.847872     -1.966472      1.705943
  C      -0.402360     -0.670848      1.475828
  C       0.991823     -0.511840      1.008427
  O       1.791576     -1.419735      0.830962
  C       1.476589      0.900474      0.645873
  O       1.059878      1.599036     -0.226028
  F       2.571576      1.249838      1.378462
  C      -1.232126      0.454942      1.705280
  C      -2.522246      0.216614      2.123748
  C      -3.000981     -1.089385      2.376661
  C      -4.407094     -1.225366      2.574674
  O      -5.006509     -2.281328      2.869661
  C      -7.074923     -4.555760      3.790779
  C      -7.469391     -4.924781      5.083478
  C      -8.741058     -4.597701      5.562903
  C      -9.154484     -4.983035      6.924109
  O     -10.248488     -4.767482      7.423918
  C      -8.120300     -5.671828      7.828466
  O      -7.249465     -5.155193      8.455852
  F      -8.385785     -7.008974      7.936856
  C      -9.651211     -3.897005      4.746674
  C      -9.265687     -3.523800      3.472104
  C      -7.983110     -3.835256      2.981525
  C      -7.592044     -3.320288      1.644629
  O      -8.369794     -2.763232      0.883638
  C      -3.515299     -5.057095      6.923464
  C      -3.905932     -5.936438      7.961230
  C      -3.998109     -5.509134      9.283271
  C      -4.485527     -6.404060     10.354156
  O      -4.666079     -6.057557     11.510932
  C      -4.816255     -7.871473     10.007977
  O      -5.480298     -8.286954      9.107136
  F      -4.312265     -8.706901     10.954843
  C      -3.614323     -4.197765      9.651514
  C      -3.128401     -3.356654      8.677828
  C      -3.079266     -3.746364      7.317476
  C      -2.353300     -2.891333      6.411917
  O      -2.335878     -2.968309      5.168656
  H      -0.136144     -2.760480      1.493668
  H      -0.883187      1.467587      1.510611
  H      -3.220673      1.047527      2.248753
  H      -5.021970     -0.320841      2.393549
  H      -6.752166     -5.462129      5.705687
  H     -10.637791     -3.650953      5.139748
  H      -9.935259     -2.958053      2.822438
  H      -6.521718     -3.441512      1.374329
  H      -4.246194     -6.937014      7.710096
  H      -3.688176     -3.893434     10.694468
  H      -2.772298     -2.357757      8.939311
  H      -1.704728     -2.130185      6.890429
  N      -5.012949     -3.191629      5.301606
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.645593597811
  N      -2.578067     -3.486212      2.541634
  C      -1.737872     -4.581330      2.049016
  C      -2.022309     -5.909311      2.733734
  N      -3.445941     -6.106397      3.000429
  C      -4.311794     -6.132186      1.820978
  C      -5.746860     -5.882831      2.267217
  N      -5.772874     -4.892606      3.349813
  Mo     -4.158876     -4.030377      4.154612
  N      -3.563520     -5.428428      5.611322
  C      -3.226453     -6.824629      5.318537
  C      -3.696438     -7.208703      3.927761
  H      -3.688928     -7.521350      6.032460
  H      -2.135491     -6.958885      5.425514
  H      -4.777541     -7.391292      3.956001
  H      -3.205259     -8.143547      3.597235
  H      -6.345731     -5.554106      1.402423
  H      -6.225113     -6.811971      2.630356
  H      -3.991011     -5.320834      1.154084
  H      -4.237630     -7.086311      1.265869
  H      -0.663706     -4.397849      2.215723
  H      -1.869070     -4.673123      0.954559
  H      -1.515730     -5.920220      3.708363
  H      -1.596699     -6.735720      2.130684
  C      -2.143101     -2.247120      2.231815
  C      -0.849298     -1.968389      1.688011
  C      -0.402080     -0.674508      1.452087
  C       0.987941     -0.518241      0.970571
  O       1.788815     -1.425976      0.799543
  C       1.462937      0.890911      0.582347
  O       1.036067      1.572337     -0.298051
  F       2.558967      1.259745      1.304120
  C      -1.224606      0.454559      1.688639
  C      -2.512682      0.221766      2.117438
  C      -2.993250     -1.081825      2.376073
  C      -4.398136     -1.215436      2.584966
  O      -4.998576     -2.268940      2.885557
  C      -7.073871     -4.547793      3.784383
  C      -7.466745     -4.921852      5.076473
  C      -8.741233     -4.607817      5.555210
  C      -9.151137     -5.002241      6.914100
  O     -10.248673     -4.802263      7.413107
  C      -8.107507     -5.681552      7.815828
  O      -7.251761     -5.154532      8.455159
  F      -8.344449     -7.025210      7.903489
  C      -9.657378     -3.913629      4.738975
  C      -9.274032     -3.533343      3.466181
  C      -7.987285     -3.831692      2.976599
  C      -7.595054     -3.302495      1.646098
  O      -8.374520     -2.748080      0.884654
  C      -3.526165     -5.064420      6.933880
  C      -3.909535     -5.946806      7.972596
  C      -3.996413     -5.522544      9.295496
  C      -4.476055     -6.418797     10.368413
  O      -4.643392     -6.072634     11.527555
  C      -4.816371     -7.884893     10.022342
  O      -5.472341     -8.295453      9.113164
  F      -4.332608     -8.720040     10.977170
  C      -3.612281     -4.210337      9.664363
  C      -3.131444     -3.366963      8.690831
  C      -3.087497     -3.753677      7.328807
  C      -2.362306     -2.900801      6.423710
  O      -2.347403     -2.977462      5.179356
  H      -0.146031     -2.766809      1.464903
  H      -0.872592      1.466218      1.493649
  H      -3.207312      1.055288      2.246428
  H      -5.011518     -0.308812      2.408077
  H      -6.744967     -5.454037      5.697937
  H     -10.647070     -3.679018      5.131195
  H      -9.947177     -2.970568      2.817690
  H      -6.521556     -3.408508      1.382815
  H      -4.247035     -6.948373      7.722801
  H      -3.681952     -3.907588     10.707990
  H      -2.774692     -2.368649      8.953593
  H      -1.710867     -2.141691      6.901085
  N      -5.021214     -3.188860      5.309173
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.645676954520
  N      -2.571695     -3.477780      2.552328
  C      -1.713027     -4.573477      2.093220
  C      -2.017559     -5.897893      2.776840
  N      -3.447152     -6.090278      3.013135
  C      -4.293809     -6.101077      1.820416
  C      -5.734432     -5.844504      2.247281
  N      -5.769664     -4.871826      3.346118
  Mo     -4.158763     -4.017288      4.167677
  N      -3.584208     -5.429152      5.625450
  C      -3.271036     -6.830673      5.329446
  C      -3.721562     -7.197855      3.927100
  H      -3.762225     -7.522115      6.029314
  H      -2.185501     -6.988365      5.456289
  H      -4.804267     -7.372573      3.935108
  H      -3.232742     -8.134333      3.597713
  H      -6.314211     -5.495335      1.377636
  H      -6.227428     -6.775141      2.585535
  H      -3.955899     -5.288899      1.163141
  H      -4.221066     -7.051911      1.259407
  H      -0.645673     -4.385313      2.297491
  H      -1.804874     -4.670385      0.995169
  H      -1.534721     -5.902871      3.763647
  H      -1.578781     -6.728536      2.189446
  C      -2.138909     -2.242289      2.226104
  C      -0.849806     -1.972598      1.665466
  C      -0.401126     -0.681172      1.417562
  C       0.985266     -0.531341      0.922869
  O       1.781464     -1.442461      0.748690
  C       1.459731      0.874160      0.521167
  O       1.016656      1.555540     -0.351188
  F       2.573219      1.238158      1.218075
  C      -1.216534      0.451786      1.655610
  C      -2.502556      0.226558      2.095768
  C      -2.984743     -1.073152      2.366925
  C      -4.387992     -1.201137      2.591931
  O      -4.989995     -2.249569      2.905135
  C      -7.073098     -4.537219      3.779159
  C      -7.465716     -4.924179      5.068153
  C      -8.743726     -4.626174      5.546936
  C      -9.149115     -5.042184      6.900618
  O     -10.249680     -4.862410      7.401161
  C      -8.098238     -5.723232      7.791763
  O      -7.273237     -5.195017      8.468901
  F      -8.288737     -7.077262      7.814394
  C      -9.665056     -3.933421      4.735319
  C      -9.282468     -3.538287      3.467149
  C      -7.991953     -3.820755      2.977050
  C      -7.599383     -3.270299      1.655691
  O      -8.380320     -2.712527      0.898011
  C      -3.542233     -5.067832      6.947008
  C      -3.917188     -5.952929      7.987914
  C      -3.998290     -5.530359      9.311476
  C      -4.468472     -6.429661     10.387185
  O      -4.633138     -6.081328     11.546024
  C      -4.797930     -7.898973     10.045089
  O      -5.445303     -8.318007      9.133832
  F      -4.313998     -8.725820     11.006992
  C      -3.616174     -4.216831      9.679932
  C      -3.140527     -3.372018      8.705898
  C      -3.100635     -3.757224      7.342593
  C      -2.372625     -2.908591      6.438660
  O      -2.356493     -2.985900      5.193222
  H      -0.154846     -2.775910      1.434976
  H      -0.861609      1.461184      1.454343
  H      -3.193922      1.062971      2.223780
  H      -4.998282     -0.291828      2.416413
  H      -6.739486     -5.454444      5.686286
  H     -10.657805     -3.712327      5.127710
  H      -9.958446     -2.974062      2.822860
  H      -6.523534     -3.362728      1.397469
  H      -4.251833     -6.955956      7.741425
  H      -3.682166     -3.914873     10.724025
  H      -2.783841     -2.373836      8.969149
  H      -1.717410     -2.152783      6.915546
  N      -5.028815     -3.179938      5.319578
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.645748607524
  N      -2.571001     -3.475787      2.547600
  C      -1.710675     -4.571998      2.094693
  C      -2.022358     -5.894946      2.776701
  N      -3.453044     -6.083257      3.010333
  C      -4.298824     -6.089611      1.817961
  C      -5.739496     -5.828311      2.243185
  N      -5.775163     -4.860504      3.345909
  Mo     -4.162157     -4.005926      4.166649
  N      -3.590585     -5.418514      5.624857
  C      -3.286194     -6.822093      5.328826
  C      -3.732694     -7.189173      3.924501
  H      -3.783808     -7.509452      6.028496
  H      -2.202146     -6.987297      5.458959
  H      -4.815481     -7.363586      3.927833
  H      -3.243989     -8.127284      3.599565
  H      -6.313527     -5.472749      1.372139
  H      -6.237942     -6.759190      2.572257
  H      -3.956907     -5.280408      1.159080
  H      -4.232781     -7.040462      1.255711
  H      -0.644427     -4.382175      2.304722
  H      -1.793776     -4.668701      0.995777
  H      -1.540102     -5.900375      3.764190
  H      -1.585393     -6.727745      2.191187
  C      -2.135665     -2.242770      2.212986
  C      -0.844678     -1.982479      1.652136
  C      -0.389811     -0.692489      1.405794
  C       0.998424     -0.546444      0.915696
  O       1.786069     -1.461137      0.721440
  C       1.490908      0.863018      0.554253
  O       1.094692      1.553856     -0.332582
  F       2.564311      1.219520      1.316918
  C      -1.199454      0.443940      1.641108
  C      -2.489167      0.226951      2.075875
  C      -2.976970     -1.069599      2.348492
  C      -4.380853     -1.193474      2.574371
  O      -4.986305     -2.236407      2.895780
  C      -7.078953     -4.534905      3.783217
  C      -7.466280     -4.929035      5.072575
  C      -8.747744     -4.647954      5.553405
  C      -9.148674     -5.085130      6.902719
  O     -10.256888     -4.935115      7.396666
  C      -8.087433     -5.747203      7.794329
  O      -7.274867     -5.203054      8.473736
  F      -8.253163     -7.104023      7.814349
  C      -9.677497     -3.962245      4.746091
  C      -9.299810     -3.556655      3.480140
  C      -8.007477     -3.823876      2.986387
  C      -7.621735     -3.261901      1.668122
  O      -8.407326     -2.702936      0.915958
  C      -3.546639     -5.057314      6.945647
  C      -3.914404     -5.944203      7.988748
  C      -3.993165     -5.521133      9.312418
  C      -4.458420     -6.423572     10.389653
  O      -4.617711     -6.075289     11.549027
  C      -4.787408     -7.891663     10.046957
  O      -5.440634     -8.311897      9.141003
  F      -4.293430     -8.719201     11.005305
  C      -3.615100     -4.206094      9.679445
  C      -3.145030     -3.360098      8.704176
  C      -3.107212     -3.745749      7.340484
  C      -2.381557     -2.898675      6.435006
  O      -2.367328     -2.976524      5.189035
  H      -0.155323     -2.790785      1.422435
  H      -0.836707      1.451516      1.443329
  H      -3.177718      1.066538      2.198397
  H      -4.986115     -0.281997      2.390417
  H      -6.732598     -5.452323      5.687707
  H     -10.672620     -3.755476      5.140365
  H      -9.981474     -2.995100      2.839377
  H      -6.545796     -3.347109      1.408098
  H      -4.244685     -6.949431      7.745784
  H      -3.679796     -3.903419     10.723492
  H      -2.791596     -2.360646      8.966991
  H      -1.724480     -2.143338      6.909861
  N      -5.035590     -3.163995      5.312462
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.645810559677
  N      -2.565414     -3.468699      2.557362
  C      -1.693233     -4.565753      2.129250
  C      -2.019736     -5.887914      2.807168
  N      -3.453900     -6.070958      3.019484
  C      -4.285935     -6.064184      1.817763
  C      -5.730575     -5.799222      2.229527
  N      -5.772834     -4.844788      3.342939
  Mo     -4.164036     -3.994235      4.177842
  N      -3.609485     -5.416147      5.635919
  C      -3.322089     -6.822568      5.337789
  C      -3.754281     -7.177675      3.925929
  H      -3.841357     -7.505228      6.026331
  H      -2.242888     -7.005943      5.483234
  H      -4.838615     -7.341384      3.915129
  H      -3.270982     -8.119371      3.603352
  H      -6.290826     -5.429626      1.355089
  H      -6.239939     -6.730596      2.539691
  H      -3.933499     -5.251827      1.168587
  H      -4.218530     -7.011258      1.249230
  H      -0.632308     -4.372444      2.362287
  H      -1.749661     -4.667416      1.028886
  H      -1.551974     -5.896966      3.801632
  H      -1.577375     -6.722399      2.228037
  C      -2.130884     -2.238647      2.210364
  C      -0.841394     -1.984492      1.642376
  C      -0.387665     -0.697414      1.377751
  C       0.998215     -0.559396      0.878797
  O       1.779168     -1.479108      0.679723
  C       1.499268      0.846409      0.515766
  O       1.096432      1.545798     -0.361485
  F       2.589614      1.186863      1.260998
  C      -1.196409      0.441584      1.603133
  C      -2.484113      0.229790      2.046408
  C      -2.971341     -1.063289      2.336682
  C      -4.373711     -1.180044      2.575462
  O      -4.980343     -2.218264      2.909937
  C      -7.078451     -4.527805      3.780671
  C      -7.466291     -4.937334      5.065179
  C      -8.749729     -4.666767      5.547554
  C      -9.147077     -5.120901      6.892964
  O     -10.254061     -4.979109      7.391767
  C      -8.085119     -5.797026      7.771674
  O      -7.299010     -5.266772      8.491482
  F      -8.214413     -7.158169      7.720767
  C      -9.681232     -3.976181      4.747634
  C      -9.302751     -3.555389      3.486621
  C      -8.009266     -3.811820      2.990974
  C      -7.625840     -3.233487      1.678863
  O      -8.414212     -2.672193      0.931526
  C      -3.560933     -5.056573      6.956148
  C      -3.921923     -5.945236      8.001109
  C      -3.996923     -5.522764      9.325158
  C      -4.453899     -6.429219     10.403909
  O      -4.620186     -6.080326     11.561780
  C      -4.760610     -7.902172     10.064727
  O      -5.411512     -8.336265      9.163900
  F      -4.246867     -8.721462     11.022188
  C      -3.622769     -4.207071      9.692232
  C      -3.156219     -3.360171      8.716206
  C      -3.120224     -3.745300      7.352169
  C      -2.391476     -2.900079      6.448304
  O      -2.373399     -2.979467      5.201735
  H      -0.152901     -2.795049      1.418557
  H      -0.835010      1.446375      1.390068
  H      -3.172191      1.070755      2.161929
  H      -4.976711     -0.267158      2.390992
  H      -6.731007     -5.464573      5.675281
  H     -10.677370     -3.776840      5.143301
  H      -9.985704     -2.989486      2.850926
  H      -6.548724     -3.307993      1.419729
  H      -4.249589     -6.951721      7.760191
  H      -3.685256     -3.905511     10.736802
  H      -2.803347     -2.360358      8.978463
  H      -1.733982     -2.145055      6.922532
  N      -5.042533     -3.155581      5.322335
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.645871959040
  N      -2.561416     -3.464125      2.563348
  C      -1.686640     -4.562861      2.144998
  C      -2.020946     -5.885910      2.818182
  N      -3.456417     -6.063853      3.022071
  C      -4.282468     -6.050555      1.816238
  C      -5.728867     -5.783685      2.221734
  N      -5.773724     -4.836351      3.340056
  Mo     -4.167644     -3.985489      4.182285
  N      -3.620908     -5.411400      5.640081
  C      -3.343171     -6.819153      5.341399
  C      -3.768829     -7.168654      3.926437
  H      -3.874969     -7.498332      6.023968
  H      -2.266939     -7.013432      5.494972
  H      -4.854153     -7.324513      3.909195
  H      -3.290115     -8.113363      3.605704
  H      -6.282427     -5.407090      1.345661
  H      -6.244479     -6.714796      2.522319
  H      -3.925973     -5.236172      1.172029
  H      -4.213286     -6.996047      1.245222
  H      -0.627508     -4.368901      2.385170
  H      -1.733751     -4.666910      1.044290
  H      -1.557326     -5.903110      3.814468
  H      -1.580253     -6.720348      2.237463
  C      -2.125902     -2.236255      2.209899
  C      -0.834437     -1.985504      1.644463
  C      -0.381574     -0.701151      1.365650
  C       1.003564     -0.568480      0.864328
  O       1.779278     -1.491410      0.657971
  C       1.515348      0.835951      0.512794
  O       1.134113      1.538257     -0.371782
  F       2.591554      1.171866      1.280815
  C      -1.192645      0.439401      1.576713
  C      -2.479982      0.230702      2.021746
  C      -2.966873     -1.060022      2.325763
  C      -4.368651     -1.170993      2.569036
  O      -4.976989     -2.206079      2.911171
  C      -7.080429     -4.526710      3.780492
  C      -7.466629     -4.946766      5.061801
  C      -8.751108     -4.683602      5.546609
  C      -9.145743     -5.143053      6.891580
  O     -10.251272     -5.003742      7.393608
  C      -8.082672     -5.823017      7.765660
  O      -7.306899     -5.298811      8.500737
  F      -8.195708     -7.185319      7.688172
  C      -9.684929     -3.991011      4.752026
  C      -9.307345     -3.560552      3.493542
  C      -8.013563     -3.808868      2.995795
  C      -7.634632     -3.222020      1.685684
  O      -8.427652     -2.664796      0.940497
  C      -3.567784     -5.052761      6.959999
  C      -3.922178     -5.943160      8.006116
  C      -3.994617     -5.521339      9.330450
  C      -4.445407     -6.431100     10.409366
  O      -4.614093     -6.084992     11.567489
  C      -4.742994     -7.905337     10.069549
  O      -5.402109     -8.344010      9.177030
  F      -4.208631     -8.724524     11.017711
  C      -3.624252     -4.205375      9.698179
  C      -3.161650     -3.357006      8.721242
  C      -3.128021     -3.741276      7.357144
  C      -2.401021     -2.894414      6.453437
  O      -2.382053     -2.975654      5.206583
  H      -0.142513     -2.796644      1.433439
  H      -0.833153      1.441865      1.349658
  H      -3.168624      1.072319      2.128772
  H      -4.970201     -0.257816      2.382179
  H      -6.729790     -5.476679      5.667800
  H     -10.681274     -3.796141      5.149465
  H      -9.992545     -2.993390      2.861247
  H      -6.556581     -3.285191      1.426360
  H      -4.246313     -6.950904      7.765564
  H      -3.684833     -3.905372     10.743351
  H      -2.809815     -2.356528      8.982515
  H      -1.745847     -2.136192      6.925310
  N      -5.051064     -3.149407      5.324698
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.645911868066
  N      -2.556684     -3.458456      2.572131
  C      -1.677533     -4.559107      2.168063
  C      -2.023083     -5.882400      2.836110
  N      -3.460697     -6.053798      3.027532
  C      -4.277152     -6.033539      1.815281
  C      -5.725940     -5.762238      2.210319
  N      -5.774968     -4.824936      3.336524
  Mo     -4.171378     -3.974785      4.187889
  N      -3.634624     -5.406912      5.646359
  C      -3.371507     -6.817193      5.346513
  C      -3.788010     -7.158018      3.926841
  H      -3.920914     -7.491501      6.020130
  H      -2.299823     -7.026558      5.511020
  H      -4.874190     -7.305601      3.900325
  H      -3.313746     -8.105316      3.606887
  H      -6.269368     -5.374672      1.332555
  H      -6.250120     -6.692681      2.497819
  H      -3.912984     -5.218132      1.176790
  H      -4.206200     -6.977858      1.242635
  H      -0.621877     -4.364789      2.423411
  H      -1.709174     -4.664926      1.067036
  H      -1.567440     -5.905833      3.835969
  H      -1.582039     -6.717308      2.256195
  C      -2.120281     -2.234000      2.210652
  C      -0.827520     -1.988175      1.645540
  C      -0.374658     -0.707246      1.352626
  C       1.009019     -0.579554      0.847129
  O       1.781343     -1.504601      0.637015
  C       1.526163      0.823001      0.497625
  O       1.166227      1.518860     -0.400779
  F       2.582411      1.166947      1.290326
  C      -1.186213      0.435747      1.550691
  C      -2.473049      0.231275      1.998500
  C      -2.960476     -1.056463      2.316217
  C      -4.361498     -1.161345      2.564850
  O      -4.972269     -2.192960      2.914317
  C      -7.083097     -4.523636      3.778638
  C      -7.467050     -4.954104      5.056714
  C      -8.752790     -4.701244      5.543229
  C      -9.143788     -5.166070      6.887052
  O     -10.247551     -5.030002      7.393471
  C      -8.077473     -5.849876      7.754721
  O      -7.314946     -5.332420      8.508074
  F      -8.168310     -7.212332      7.644344
  C      -9.690527     -4.009003      4.752855
  C      -9.315034     -3.568741      3.496836
  C      -8.019659     -3.806157      2.998087
  C      -7.644181     -3.208339      1.691720
  O      -8.442069     -2.657885      0.946879
  C      -3.575415     -5.050018      6.965618
  C      -3.920592     -5.942902      8.013057
  C      -3.988799     -5.522580      9.337734
  C      -4.431669     -6.435267     10.416722
  O      -4.600733     -6.092292     11.575770
  C      -4.722334     -7.910722     10.076073
  O      -5.391295     -8.351540      9.191913
  F      -4.168475     -8.729010     11.013856
  C      -3.621995     -4.205815      9.706215
  C      -3.165153     -3.355357      8.728292
  C      -3.136045     -3.737910      7.363684
  C      -2.412764     -2.889271      6.459711
  O      -2.394870     -2.972804      5.212380
  H      -0.134231     -2.800940      1.445011
  H      -0.827526      1.435612      1.310729
  H      -3.161127      1.074216      2.098244
  H      -4.961426     -0.247503      2.376988
  H      -6.727961     -5.485144      5.659037
  H     -10.687895     -3.821592      5.151207
  H     -10.003547     -3.002140      2.867643
  H      -6.564485     -3.255369      1.435623
  H      -4.240165     -6.952129      7.773002
  H      -3.679462     -3.907655     10.752037
  H      -2.813872     -2.354468      8.988685
  H      -1.760025     -2.127385      6.928467
  N      -5.062758     -3.143202      5.327359
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.645935561968
  N      -2.555325     -3.456171      2.575377
  C      -1.674543     -4.558703      2.179529
  C      -2.027455     -5.882142      2.844376
  N      -3.466221     -6.047787      3.030507
  C      -4.276880     -6.024105      1.814426
  C      -5.726800     -5.748718      2.202399
  N      -5.778042     -4.817091      3.333266
  Mo     -4.175168     -3.967068      4.189200
  N      -3.643723     -5.401773      5.649202
  C      -3.390753     -6.814230      5.349554
  C      -3.802800     -7.150739      3.927560
  H      -3.951026     -7.484394      6.018498
  H      -2.322072     -7.033103      5.520353
  H      -4.889565     -7.292556      3.896266
  H      -3.332324     -8.100298      3.608520
  H      -6.263621     -5.354176      1.323681
  H      -6.256701     -6.678304      2.482143
  H      -3.906960     -5.208757      1.179178
  H      -4.205305     -6.968127      1.241503
  H      -0.620922     -4.365596      2.444356
  H      -1.697589     -4.664748      1.078450
  H      -1.574609     -5.910028      3.845408
  H      -1.587867     -6.717130      2.263430
  C      -2.116837     -2.233828      2.210966
  C      -0.821626     -1.991266      1.649959
  C      -0.367679     -0.712632      1.349973
  C       1.016530     -0.587308      0.846060
  O       1.787983     -1.512978      0.635626
  C       1.535889      0.814318      0.497409
  O       1.192276      1.503301     -0.412480
  F       2.574828      1.167181      1.309724
  C      -1.179571      0.432062      1.537922
  C      -2.467191      0.230443      1.984479
  C      -2.956100     -1.055202      2.309099
  C      -4.356901     -1.156003      2.559626
  O      -4.970112     -2.184915      2.913643
  C      -7.086942     -4.521747      3.777244
  C      -7.468331     -4.957791      5.053909
  C      -8.754954     -4.712870      5.541446
  C      -9.142560     -5.181227      6.884340
  O     -10.245249     -5.048749      7.394047
  C      -8.072276     -5.866165      7.746878
  O      -7.321086     -5.353191      8.514384
  F      -8.142722     -7.227884      7.609599
  C      -9.696476     -4.022863      4.753038
  C      -9.323758     -3.577117      3.498123
  C      -8.026918     -3.806447      2.998861
  C      -7.653595     -3.201874      1.695060
  O      -8.454849     -2.657456      0.949371
  C      -3.579285     -5.046052      6.967873
  C      -3.917226     -5.940662      8.016440
  C      -3.981514     -5.521251      9.341326
  C      -4.418503     -6.435557     10.420366
  O      -4.588102     -6.094533     11.580106
  C      -4.703786     -7.912099     10.079460
  O      -5.383772     -8.354155      9.204383
  F      -4.130126     -8.728394     11.006279
  C      -3.616706     -4.203572      9.709798
  C      -3.164748     -3.351759      8.730867
  C      -3.139959     -3.733251      7.365777
  C      -2.420550     -2.883498      6.460811
  O      -2.404576     -2.969114      5.213204
  H      -0.127236     -2.805227      1.457901
  H      -0.820343      1.430250      1.291512
  H      -3.154806      1.074409      2.078601
  H      -4.955517     -0.241672      2.370420
  H      -6.727076     -5.487831      5.654495
  H     -10.694788     -3.841699      5.151813
  H     -10.015387     -3.012332      2.870802
  H      -6.572709     -3.237172      1.442305
  H      -4.233691     -6.951004      7.776965
  H      -3.671432     -3.906355     10.755981
  H      -2.813580     -2.350619      8.990363
  H      -1.769544     -2.118794      6.927057
  N      -5.071890     -3.138175      5.326320
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.645953862723
  N      -2.555560     -3.454766      2.576514
  C      -1.672693     -4.559120      2.189777
  C      -2.033467     -5.882260      2.852107
  N      -3.473435     -6.041680      3.032945
  C      -4.277966     -6.015080      1.812857
  C      -5.728863     -5.734985      2.193657
  N      -5.782251     -4.808248      3.328808
  Mo     -4.180048     -3.959078      4.189066
  N      -3.653860     -5.396215      5.651118
  C      -3.411256     -6.811029      5.351788
  C      -3.818945     -7.143627      3.927479
  H      -3.982012     -7.476599      6.016467
  H      -2.345620     -7.039072      5.528762
  H      -4.906258     -7.279951      3.891586
  H      -3.352319     -8.095405      3.609380
  H      -6.259006     -5.333801      1.313960
  H      -6.264306     -6.663504      2.466168
  H      -3.901691     -5.200477      1.180389
  H      -4.206376     -6.959030      1.239970
  H      -0.621354     -4.367586      2.464874
  H      -1.686354     -4.665259      1.088685
  H      -1.583799     -5.913359      3.854483
  H      -1.595034     -6.717676      2.270943
  C      -2.113954     -2.234179      2.210976
  C      -0.815695     -1.995109      1.655479
  C      -0.359682     -0.718528      1.350789
  C       1.026488     -0.595346      0.851936
  O       1.799134     -1.521408      0.648181
  C       1.546468      0.805006      0.499559
  O       1.214506      1.485318     -0.420965
  F       2.571650      1.168239      1.325320
  C      -1.171449      0.427852      1.529179
  C      -2.460527      0.229379      1.972879
  C      -2.951857     -1.054114      2.302183
  C      -4.352537     -1.151112      2.553799
  O      -4.968543     -2.177103      2.912108
  C      -7.091857     -4.519277      3.774771
  C      -7.469706     -4.959639      5.050908
  C      -8.757324     -4.723666      5.539659
  C      -9.140015     -5.196268      6.881938
  O     -10.241908     -5.069759      7.394970
  C      -8.063627     -5.880026      7.738362
  O      -7.328119     -5.371394      8.523472
  F      -8.106241     -7.239650      7.567754
  C      -9.703689     -4.037934      4.752752
  C      -9.334958     -3.587642      3.498442
  C      -8.036562     -3.807995      2.998334
  C      -7.665906     -3.196949      1.697049
  O      -8.470721     -2.659355      0.950119
  C      -3.583663     -5.041614      6.969244
  C      -3.914019     -5.937715      8.019447
  C      -3.973346     -5.518965      9.344559
  C      -4.403105     -6.434950     10.424363
  O      -4.572115     -6.095161     11.584747
  C      -4.681874     -7.912923     10.084190
  O      -5.373485     -8.357014      9.219361
  F      -4.086504     -8.725799     10.999332
  C      -3.610285     -4.200157      9.712236
  C      -3.164065     -3.347260      8.731966
  C      -3.144132     -3.728057      7.366305
  C      -2.428374     -2.877997      6.460102
  O      -2.414107     -2.965801      5.212266
  H      -0.121005     -2.810658      1.471278
  H      -0.810575      1.424535      1.279050
  H      -3.147412      1.074546      2.061538
  H      -4.949545     -0.236135      2.362729
  H      -6.725317     -5.486700      5.650243
  H     -10.702995     -3.863919      5.152180
  H     -10.030567     -3.025874      2.872921
  H      -6.583813     -3.219890      1.448238
  H      -4.227862     -6.949153      7.781245
  H      -3.661522     -3.903525     10.758727
  H      -2.813109     -2.345773      8.990327
  H      -1.778357     -2.111309      6.924180
  N      -5.081089     -3.132336      5.324205
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.645971787641
  N      -2.557303     -3.454955      2.575149
  C      -1.673331     -4.561243      2.195936
  C      -2.041576     -5.883978      2.856042
  N      -3.482502     -6.036485      3.033854
  C      -4.282091     -6.008119      1.810473
  C      -5.733573     -5.723244      2.185428
  N      -5.788209     -4.799777      3.323647
  Mo     -4.186611     -3.951198      4.186490
  N      -3.663892     -5.389398      5.651151
  C      -3.430574     -6.806495      5.352893
  C      -3.835350     -7.136994      3.927052
  H      -4.009922     -7.467085      6.015084
  H      -2.367540     -7.042255      5.534775
  H      -4.923162     -7.268459      3.888046
  H      -3.372568     -8.091032      3.610235
  H      -6.258212     -5.316870      1.304872
  H      -6.273748     -6.650486      2.452618
  H      -3.900034     -5.194924      1.179661
  H      -4.211106     -6.952429      1.238230
  H      -0.623761     -4.372169      2.479280
  H      -1.679429     -4.667085      1.094843
  H      -1.593467     -5.918549      3.858986
  H      -1.605741     -6.719973      2.273834
  C      -2.111227     -2.235576      2.211081
  C      -0.808660     -1.999615      1.664396
  C      -0.349757     -0.724739      1.357552
  C       1.040247     -0.603228      0.868888
  O       1.816051     -1.529343      0.678411
  C       1.559962      0.795521      0.509704
  O       1.237624      1.465330     -0.421728
  F       2.572437      1.170921      1.345981
  C      -1.161866      0.422964      1.525241
  C      -2.453394      0.227522      1.963096
  C      -2.947874     -1.054002      2.294889
  C      -4.348827     -1.147702      2.544800
  O      -4.968023     -2.170590      2.906991
  C      -7.098257     -4.517024      3.772059
  C      -7.471687     -4.960487      5.048444
  C      -8.760176     -4.733482      5.538940
  C      -9.136476     -5.209419      6.881655
  O     -10.237265     -5.088962      7.398480
  C      -8.053065     -5.891261      7.731074
  O      -7.336724     -5.388509      8.537055
  F      -8.061895     -7.246546      7.520630
  C      -9.711981     -4.053394      4.753418
  C      -9.348142     -3.599700      3.499093
  C      -8.048513     -3.810988      2.997536
  C      -7.681255     -3.194432      1.698196
  O      -8.489860     -2.664727      0.949606
  C      -3.588012     -5.035485      6.968655
  C      -3.910326     -5.932936      8.020818
  C      -3.964305     -5.514535      9.346118
  C      -4.385409     -6.432837     10.427003
  O      -4.553960     -6.094300     11.587951
  C      -4.655013     -7.912497     10.087871
  O      -5.361068     -8.359871      9.236612
  F      -4.031496     -8.721046     10.987419
  C      -3.603724     -4.194386      9.712424
  C      -3.164063     -3.340470      8.730499
  C      -3.148837     -3.721026      7.364351
  C      -2.436686     -2.870747      6.456721
  O      -2.423516     -2.960714      5.208769
  H      -0.113419     -2.816672      1.489289
  H      -0.798593      1.418378      1.273535
  H      -3.139728      1.073791      2.045367
  H      -4.944000     -0.232350      2.349747
  H      -6.723478     -5.483322      5.646680
  H     -10.711991     -3.886349      5.154068
  H     -10.048301     -3.041769      2.875308
  H      -6.598014     -3.204800      1.453398
  H      -4.221491     -6.945655      7.784330
  H      -3.651185     -3.898107     10.759187
  H      -2.814023     -2.338318      8.987448
  H      -1.787941     -2.102048      6.919084
  N      -5.090465     -3.125325      5.319993
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.645991846125
  N      -2.559428     -3.455757      2.572972
  C      -1.673993     -4.564129      2.202988
  C      -2.051597     -5.886104      2.860404
  N      -3.493805     -6.030116      3.033823
  C      -4.287438     -5.999548      1.806493
  C      -5.739714     -5.709385      2.174953
  N      -5.795904     -4.789927      3.316814
  Mo     -4.195558     -3.942004      4.182311
  N      -3.676422     -5.381709      5.650137
  C      -3.454525     -6.801334      5.352925
  C      -3.855361     -7.129248      3.925093
  H      -4.044230     -7.455669      6.012106
  H      -2.394773     -7.046715      5.540752
  H      -4.943673     -7.255305      3.881988
  H      -3.396702     -8.085675      3.609725
  H      -6.257937     -5.297023      1.293411
  H      -6.285198     -6.635169      2.435847
  H      -3.898824     -5.188229      1.177313
  H      -4.217341     -6.944349      1.235047
  H      -0.626616     -4.377799      2.495914
  H      -1.670508     -4.669953      1.101915
  H      -1.606313     -5.924574      3.864436
  H      -1.618947     -6.723404      2.277794
  C      -2.107538     -2.237599      2.211546
  C      -0.799558     -2.005105      1.676274
  C      -0.336916     -0.731981      1.368181
  C       1.058435     -0.612507      0.893951
  O       1.838976     -1.538582      0.724421
  C       1.577363      0.783639      0.523055
  O       1.263789      1.439419     -0.421161
  F       2.577216      1.174585      1.367365
  C      -1.149642      0.416963      1.523028
  C      -2.444439      0.225129      1.952682
  C      -2.942857     -1.054263      2.286435
  C      -4.344392     -1.144417      2.532529
  O      -4.967423     -2.163596      2.899135
  C      -7.106425     -4.514882      3.768253
  C      -7.473822     -4.961566      5.045383
  C      -8.763099     -4.745230      5.538783
  C      -9.130174     -5.222958      6.883677
  O     -10.229143     -5.108833      7.405499
  C      -8.037534     -5.900378      7.725068
  O      -7.347052     -5.405646      8.557631
  F      -8.000916     -7.247386      7.464654
  C      -9.721930     -4.072838      4.755298
  C      -9.364559     -3.615749      3.500450
  C      -8.063980     -3.815851      2.996360
  C      -7.702071     -3.193092      1.698747
  O      -8.515684     -2.673793      0.948229
  C      -3.594439     -5.028194      6.966851
  C      -3.906764     -5.927136      8.021656
  C      -3.954540     -5.508844      9.347106
  C      -4.362930     -6.430860     10.429781
  O      -4.528939     -6.094363     11.591728
  C      -4.620739     -7.912284     10.091710
  O      -5.345866     -8.364488      9.259395
  F      -3.959483     -8.715787     10.968619
  C      -3.598429     -4.186907      9.711522
  C      -3.167324     -3.331647      8.727407
  C      -3.156821     -3.712363      7.360889
  C      -2.448443     -2.861621      6.451852
  O      -2.435169     -2.954015      5.203831
  H      -0.103700     -2.823877      1.512187
  H      -0.783261      1.411027      1.270408
  H      -3.130170      1.072623      2.027047
  H      -4.937181     -0.228861      2.331074
  H      -6.720251     -5.478633      5.641844
  H     -10.722354     -3.913702      5.158212
  H     -10.070594     -3.062941      2.878755
  H      -6.617634     -3.187523      1.458477
  H      -4.213941     -6.941717      7.787685
  H      -3.641403     -3.890977     10.758603
  H      -2.819501     -2.328253      8.982512
  H      -1.801597     -2.090503      6.912722
  N      -5.101697     -3.116580      5.314205
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.646015628229
  N      -2.561431     -3.458257      2.569802
  C      -1.675887     -4.568957      2.207212
  C      -2.063196     -5.890065      2.861445
  N      -3.506646     -6.024492      3.031629
  C      -4.295200     -5.992372      1.800901
  C      -5.748229     -5.697412      2.163853
  N      -5.805704     -4.781479      3.308840
  Mo     -4.206964     -3.933138      4.175041
  N      -3.689131     -5.373106      5.646784
  C      -3.478782     -6.795121      5.351299
  C      -3.876156     -7.121762      3.921922
  H      -4.078324     -7.442426      6.008488
  H      -2.422297     -7.050128      5.544540
  H      -4.964832     -7.243161      3.875112
  H      -3.421044     -8.080434      3.608503
  H      -6.260669     -5.279822      1.281379
  H      -6.298426     -6.621766      2.419271
  H      -3.900799     -5.183333      1.172447
  H      -4.226234     -6.938037      1.230776
  H      -0.630197     -4.386213      2.507887
  H      -1.664137     -4.674439      1.106129
  H      -1.620077     -5.933398      3.866198
  H      -1.635530     -6.729231      2.277960
  C      -2.102658     -2.241030      2.213047
  C      -0.788141     -2.011305      1.692604
  C      -0.321311     -0.739555      1.385517
  C       1.080633     -0.621441      0.930203
  O       1.867114     -1.546755      0.786502
  C       1.598592      0.771651      0.546086
  O       1.295773      1.410754     -0.412905
  F       2.582826      1.181251      1.399603
  C      -1.135420      0.410101      1.525879
  C      -2.434447      0.221502      1.943760
  C      -2.937149     -1.056206      2.277598
  C      -4.339946     -1.143645      2.515118
  O      -4.967219     -2.159139      2.885265
  C      -7.116427     -4.514190      3.763904
  C      -7.476016     -4.962378      5.042833
  C      -8.765416     -4.756306      5.540681
  C      -9.120866     -5.230679      6.890594
  O     -10.216777     -5.119338      7.418818
  C      -8.018281     -5.901599      7.724591
  O      -7.356448     -5.416425      8.585004
  F      -7.931198     -7.236443      7.412663
  C      -9.732461     -4.093603      4.759498
  C      -9.383137     -3.635133      3.502825
  C      -8.082421     -3.823854      2.994832
  C      -7.727967     -3.196277      1.697611
  O      -8.547674     -2.690151      0.944795
  C      -3.602189     -5.019233      6.962464
  C      -3.903116     -5.919904      8.020059
  C      -3.944709     -5.501645      9.345618
  C      -4.335981     -6.429348     10.430083
  O      -4.496312     -6.097160     11.594034
  C      -4.580669     -7.911788     10.091292
  O      -5.333004     -8.369399      9.286765
  F      -3.867973     -8.710681     10.932389
  C      -3.595844     -4.177526      9.708155
  C      -3.174923     -3.320298      8.721569
  C      -3.168126     -3.701500      7.354952
  C      -2.464000     -2.849129      6.444729
  O      -2.449200     -2.943671      5.196763
  H      -0.090992     -2.831370      1.541271
  H      -0.765567      1.403049      1.273651
  H      -3.119930      1.069942      2.008743
  H      -4.930152     -0.228673      2.303614
  H      -6.715738     -5.472206      5.636851
  H     -10.732574     -3.941620      5.165985
  H     -10.095978     -3.088829      2.883116
  H      -6.642621     -3.172925      1.461392
  H      -4.204335     -6.937077      7.788883
  H      -3.634366     -3.882083     10.755582
  H      -2.831119     -2.315006      8.974660
  H      -1.820863     -2.074383      6.904676
  N      -5.114732     -3.106865      5.305076
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.646046008854
  N      -2.560531     -3.458507      2.570974
  C      -1.671650     -4.573053      2.229395
  C      -2.079630     -5.891666      2.877275
  N      -3.526159     -6.009640      3.032162
  C      -4.300532     -5.969683      1.792649
  C      -5.756110     -5.665590      2.141169
  N      -5.819440     -4.761996      3.295835
  Mo     -4.224887     -3.914517      4.168612
  N      -3.716023     -5.359590      5.646023
  C      -3.532392     -6.785624      5.351404
  C      -3.916663     -7.104600      3.916239
  H      -4.157129     -7.418835      5.998891
  H      -2.484891     -7.064518      5.559823
  H      -5.005739     -7.215361      3.856299
  H      -3.467925     -8.067302      3.606242
  H      -6.253079     -5.233432      1.256784
  H      -6.317616     -6.587512      2.379157
  H      -3.892985     -5.163345      1.169309
  H      -4.232870     -6.915329      1.222331
  H      -0.631569     -4.393628      2.550826
  H      -1.636867     -4.680662      1.128921
  H      -1.647759     -5.941797      3.886613
  H      -1.656433     -6.735304      2.297159
  C      -2.092108     -2.244733      2.215116
  C      -0.769101     -2.021994      1.712737
  C      -0.295992     -0.753945      1.400495
  C       1.113734     -0.641036      0.967846
  O       1.905520     -1.566533      0.859314
  C       1.633338      0.745617      0.562836
  O       1.349079      1.359193     -0.418241
  F       2.594175      1.182336      1.429097
  C      -1.110698      0.397824      1.516760
  C      -2.415049      0.216533      1.920596
  C      -2.924281     -1.057021      2.261087
  C      -4.328425     -1.137358      2.490101
  O      -4.962563     -2.145324      2.869995
  C      -7.131078     -4.510967      3.756386
  C      -7.477315     -4.967194      5.036159
  C      -8.767279     -4.783876      5.541373
  C      -9.102710     -5.257401      6.897798
  O     -10.194648     -5.158125      7.435449
  C      -7.981102     -5.912225      7.720177
  O      -7.372162     -5.446962      8.628402
  F      -7.798763     -7.215870      7.320653
  C      -9.749302     -4.137207      4.766216
  C      -9.413334     -3.670438      3.508623
  C      -8.111991     -3.834497      2.994160
  C      -7.771810     -3.192467      1.700202
  O      -8.602567     -2.708305      0.945317
  C      -3.620818     -5.006136      6.959775
  C      -3.901155     -5.910546      8.021475
  C      -3.932258     -5.493248      9.347327
  C      -4.291933     -6.431656     10.434062
  O      -4.439244     -6.108655     11.602206
  C      -4.516310     -7.914783     10.091598
  O      -5.310111     -8.382659      9.334649
  F      -3.723468     -8.704944     10.869183
  C      -3.597076     -4.165632      9.708162
  C      -3.193306     -3.304344      8.718102
  C      -3.192253     -3.685467      7.351266
  C      -2.493975     -2.830283      6.440305
  O      -2.475466     -2.928023      5.192132
  H      -0.071255     -2.844895      1.581509
  H      -0.735683      1.387681      1.259619
  H      -3.099180      1.067052      1.969792
  H      -4.913644     -0.222915      2.263199
  H      -6.705002     -5.465932      5.623744
  H     -10.749442     -4.001625      5.178393
  H     -10.138220     -3.134644      2.893620
  H      -6.685793     -3.134348      1.471226
  H      -4.190483     -6.932279      7.794582
  H      -3.628306     -3.871821     10.756308
  H      -2.856441     -2.296040      8.968530
  H      -1.856969     -2.049745      6.898679
  N      -5.138246     -3.088713      5.294523
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.646064441741
  N      -2.556078     -3.454882      2.576074
  C      -1.664998     -4.571762      2.248929
  C      -2.085513     -5.887960      2.893931
  N      -3.534068     -5.997769      3.035312
  C      -4.298294     -5.949830      1.789958
  C      -5.755687     -5.639781      2.128425
  N      -5.824096     -4.746441      3.290613
  Mo     -4.232258     -3.901335      4.169774
  N      -3.731768     -5.352119      5.648804
  C      -3.566570     -6.779878      5.353473
  C      -3.939381     -7.092033      3.913497
  H      -4.209430     -7.403787      5.992677
  H      -2.526015     -7.075673      5.573141
  H      -5.028268     -7.196505      3.842437
  H      -3.493358     -8.056653      3.605491
  H      -6.241254     -5.196505      1.243128
  H      -6.325031     -6.560146      2.352826
  H      -3.881731     -5.144289      1.171769
  H      -4.231734     -6.894451      1.217740
  H      -0.628886     -4.392570      2.583389
  H      -1.615062     -4.682637      1.149286
  H      -1.664003     -5.939537      3.907636
  H      -1.662149     -6.735262      2.319383
  C      -2.083847     -2.244275      2.215735
  C      -0.758397     -2.027034      1.716713
  C      -0.282457     -0.762074      1.396626
  C       1.128709     -0.654497      0.967351
  O       1.920067     -1.581637      0.870135
  C       1.650828      0.727861      0.551245
  O       1.374641      1.329887     -0.439306
  F       2.603637      1.175484      1.420623
  C      -1.095952      0.391666      1.501638
  C      -2.401621      0.215760      1.903317
  C      -2.913867     -1.054630      2.251914
  C      -4.318237     -1.129245      2.480864
  O      -4.955715     -2.132206      2.868773
  C      -7.136524     -4.506947      3.754419
  C      -7.475764     -4.972510      5.032579
  C      -8.767126     -4.807547      5.540369
  C      -9.094271     -5.287636      6.897113
  O     -10.187158     -5.205034      7.434906
  C      -7.960867     -5.925226      7.718206
  O      -7.383651     -5.466521      8.649803
  F      -7.720530     -7.208375      7.280870
  C      -9.757778     -4.169106      4.769653
  C      -9.428112     -3.691564      3.514163
  C      -8.125801     -3.837378      2.997193
  C      -7.794108     -3.182528      1.707323
  O      -8.631031     -2.708933      0.952803
  C      -3.632576     -5.000299      6.961603
  C      -3.902125     -5.907952      8.024041
  C      -3.929383     -5.492327      9.350390
  C      -4.274067     -6.436501     10.437367
  O      -4.414694     -6.118741     11.607658
  C      -4.491259     -7.919464     10.091889
  O      -5.297372     -8.391551      9.351033
  F      -3.674651     -8.707111     10.848884
  C      -3.602542     -4.163097      9.712033
  C      -3.205892     -3.298882      8.721460
  C      -3.206183     -3.678805      7.354430
  C      -2.509526     -2.821799      6.444365
  O      -2.488636     -2.919882      5.195842
  H      -0.061389     -2.851992      1.594014
  H      -0.718658      1.378963      1.237846
  H      -3.084205      1.067865      1.944899
  H      -4.900429     -0.214742      2.246869
  H      -6.696794     -5.466138      5.615057
  H     -10.758907     -4.047177      5.183598
  H     -10.159731     -3.160985      2.902539
  H      -6.708329     -3.103990      1.482038
  H      -4.183899     -6.932019      7.797906
  H      -3.631743     -3.870858     10.760659
  H      -2.872945     -2.289266      8.971812
  H      -1.875433     -2.038910      6.902482
  N      -5.149416     -3.076356      5.293278
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.646078262227
  N      -2.545651     -3.449836      2.583492
  C      -1.658054     -4.566903      2.250125
  C      -2.075333     -5.881208      2.898507
  N      -3.524196     -5.996393      3.035796
  C      -4.290264     -5.943307      1.792166
  C      -5.748138     -5.635320      2.132463
  N      -5.818399     -4.745323      3.296350
  Mo     -4.226253     -3.902283      4.174831
  N      -3.723970     -5.355059      5.650531
  C      -3.559578     -6.781233      5.353882
  C      -3.928053     -7.092324      3.912595
  H      -4.204292     -7.405368      5.991951
  H      -2.519556     -7.078806      5.574512
  H      -5.015936     -7.201921      3.837437
  H      -3.475857     -8.054313      3.604798
  H      -6.233352     -5.190268      1.247753
  H      -6.316694     -6.556660      2.354923
  H      -3.875281     -5.135617      1.175931
  H      -4.224845     -6.886144      1.216563
  H      -0.619628     -4.385719      2.576654
  H      -1.614499     -4.680463      1.150326
  H      -1.658420     -5.926717      3.914540
  H      -1.647896     -6.731292      2.331076
  C      -2.077979     -2.240386      2.215927
  C      -0.757682     -2.023096      1.703002
  C      -0.284408     -0.758167      1.378836
  C       1.120712     -0.652898      0.930547
  O       1.906660     -1.582576      0.813385
  C       1.644221      0.730176      0.519519
  O       1.362340      1.340467     -0.464623
  F       2.606882      1.167869      1.382910
  C      -1.096303      0.396115      1.493853
  C      -2.398885      0.219804      1.905015
  C      -2.908205     -1.051425      2.256646
  C      -4.312632     -1.126920      2.487565
  O      -4.947717     -2.131288      2.875600
  C      -7.130687     -4.506003      3.760876
  C      -7.471017     -4.975511      5.036983
  C      -8.763778     -4.815094      5.542539
  C      -9.099617     -5.300223      6.895767
  O     -10.198925     -5.228038      7.421302
  C      -7.968133     -5.919654      7.735635
  O      -7.385095     -5.431555      8.648808
  F      -7.739819     -7.221274      7.350149
  C      -9.753700     -4.174287      4.772469
  C      -9.420904     -3.690422      3.519850
  C      -8.118339     -3.834051      3.004132
  C      -7.787225     -3.176481      1.714917
  O      -8.624195     -2.698219      0.963736
  C      -3.630965     -5.004178      6.964014
  C      -3.904881     -5.914067      8.022679
  C      -3.940844     -5.500476      9.349718
  C      -4.291455     -6.445311     10.434501
  O      -4.429403     -6.129946     11.605585
  C      -4.524116     -7.925843     10.085238
  O      -5.313262     -8.388915      9.320975
  F      -3.749499     -8.726898     10.873431
  C      -3.618461     -4.171569      9.715347
  C      -3.214845     -3.305511      8.728098
  C      -3.206374     -3.683730      7.361575
  C      -2.506463     -2.823524      6.455263
  O      -2.482788     -2.916898      5.206718
  H      -0.061748     -2.847708      1.570835
  H      -0.721216      1.383353      1.226444
  H      -3.081116      1.071885      1.951688
  H      -4.895897     -0.213205      2.253921
  H      -6.692608     -5.471644      5.616757
  H     -10.756020     -4.055719      5.184300
  H     -10.151233     -3.158048      2.908068
  H      -6.701905     -3.102781      1.484919
  H      -4.182425     -6.938361      7.792570
  H      -3.655407     -3.880279     10.763952
  H      -2.884481     -2.295873      8.981888
  H      -1.873893     -2.041254      6.916688
  N      -5.141472     -3.075955      5.298993
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.646112036903
  N      -2.544848     -3.449631      2.586433
  C      -1.656726     -4.568010      2.258261
  C      -2.079213     -5.882391      2.903984
  N      -3.528548     -5.993661      3.038433
  C      -4.290735     -5.938461      1.792317
  C      -5.749143     -5.628089      2.127927
  N      -5.821193     -4.741443      3.294569
  Mo     -4.229634     -3.898221      4.174870
  N      -3.730231     -5.351149      5.652428
  C      -3.572715     -6.778834      5.356495
  C      -3.937918     -7.088330      3.913819
  H      -4.224190     -7.399096      5.991168
  H      -2.535503     -7.082410      5.581768
  H      -5.025984     -7.194425      3.835649
  H      -3.488225     -8.051803      3.607021
  H      -6.230050     -5.178879      1.243004
  H      -6.320656     -6.548800      2.345338
  H      -3.871871     -5.130374      1.179185
  H      -4.224631     -6.880608      1.215805
  H      -0.620028     -4.388638      2.591376
  H      -1.607619     -4.681025      1.158762
  H      -1.663416     -5.931513      3.920339
  H      -1.652728     -6.731766      2.334737
  C      -2.076408     -2.241469      2.216597
  C      -0.754601     -2.025811      1.707127
  C      -0.280830     -0.762326      1.378467
  C       1.125560     -0.658050      0.934015
  O       1.912212     -1.587702      0.821691
  C       1.649781      0.723793      0.520094
  O       1.369422      1.331286     -0.466160
  F       2.610309      1.164463      1.384533
  C      -1.093371      0.392391      1.486103
  C      -2.396538      0.217304      1.895876
  C      -2.906564     -1.052383      2.251962
  C      -4.310758     -1.126426      2.483360
  O      -4.947076     -2.129325      2.874091
  C      -7.133673     -4.504381      3.759536
  C      -7.472403     -4.976687      5.034967
  C      -8.764367     -4.817930      5.542156
  C      -9.096569     -5.307211      6.894028
  O     -10.192623     -5.232677      7.426383
  C      -7.965036     -5.941636      7.721985
  O      -7.392286     -5.476764      8.653470
  F      -7.720996     -7.227958      7.295837
  C      -9.755840     -4.176457      4.774088
  C      -9.425346     -3.690631      3.521690
  C      -8.122633     -3.832155      3.004654
  C      -7.792205     -3.171160      1.717233
  O      -8.630132     -2.693624      0.966495
  C      -3.634172     -5.000365      6.965647
  C      -3.904051     -5.910748      8.025207
  C      -3.938236     -5.497172      9.352104
  C      -4.285916     -6.442748     10.436235
  O      -4.431971     -6.127645     11.606610
  C      -4.503219     -7.925700     10.088201
  O      -5.294864     -8.397219      9.331570
  F      -3.707783     -8.716066     10.865631
  C      -3.616885     -4.167728      9.717560
  C      -3.215924     -3.301405      8.729773
  C      -3.209853     -3.679269      7.362871
  C      -2.512111     -2.818064      6.456639
  O      -2.487876     -2.912678      5.208157
  H      -0.057787     -2.850717      1.581254
  H      -0.717987      1.378517      1.215173
  H      -3.078822      1.069614      1.938432
  H      -4.893967     -0.213044      2.248476
  H      -6.693176     -5.473402      5.613990
  H     -10.757893     -4.059554      5.187067
  H     -10.156922     -3.157779      2.911895
  H      -6.706928     -3.092530      1.489207
  H      -4.179405     -6.935745      7.795905
  H      -3.652526     -3.876586     10.766248
  H      -2.885119     -2.291757      8.982975
  H      -1.881733     -2.033940      6.917923
  N      -5.147448     -3.073251      5.298001
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.646131275656
  N      -2.542035     -3.447768      2.590038
  C      -1.654031     -4.567997      2.267546
  C      -2.082534     -5.881268      2.911975
  N      -3.532637     -5.989002      3.040390
  C      -4.289893     -5.930420      1.791372
  C      -5.749086     -5.617460      2.121483
  N      -5.824290     -4.735000      3.291542
  Mo     -4.233877     -3.892390      4.174450
  N      -3.737437     -5.346634      5.653342
  C      -3.589431     -6.775944      5.358023
  C      -3.948391     -7.083112      3.912959
  H      -4.250807     -7.390641      5.987738
  H      -2.556343     -7.087988      5.590276
  H      -5.036312     -7.187005      3.829295
  H      -3.499516     -8.047404      3.607523
  H      -6.224304     -5.162946      1.236237
  H      -6.323854     -6.537548      2.332625
  H      -3.866448     -5.121856      1.181994
  H      -4.223429     -6.871564      1.213377
  H      -0.618732     -4.390370      2.606133
  H      -1.600020     -4.681651      1.168402
  H      -1.670982     -5.931535      3.930048
  H      -1.655114     -6.731074      2.344002
  C      -2.072782     -2.241217      2.216972
  C      -0.749592     -2.027953      1.710210
  C      -0.275025     -0.766211      1.376419
  C       1.132389     -0.663561      0.934853
  O       1.919418     -1.593490      0.827554
  C       1.657351      0.716784      0.516921
  O       1.381390      1.319193     -0.473648
  F       2.613005      1.162639      1.384409
  C      -1.087857      0.389221      1.476778
  C      -2.391454      0.216105      1.885962
  C      -2.902569     -1.051735      2.247122
  C      -4.306347     -1.124161      2.479617
  O      -4.943887     -2.125572      2.873474
  C      -7.137153     -4.503341      3.758102
  C      -7.472051     -4.978404      5.033615
  C      -8.763644     -4.825115      5.542896
  C      -9.091557     -5.317957      6.894056
  O     -10.186488     -5.248086      7.429502
  C      -7.955936     -5.952878      7.716509
  O      -7.392564     -5.497019      8.657921
  F      -7.693984     -7.228495      7.268436
  C      -9.758898     -4.186627      4.776523
  C      -9.432720     -3.698349      3.524119
  C      -8.129668     -3.834087      3.005247
  C      -7.802151     -3.169004      1.719493
  O      -8.642552     -2.694974      0.969026
  C      -3.637928     -4.996903      6.966487
  C      -3.903356     -5.909009      8.026150
  C      -3.935620     -5.496854      9.353478
  C      -4.278782     -6.443983     10.437040
  O      -4.424393     -6.130249     11.608026
  C      -4.491205     -7.927854     10.088762
  O      -5.284037     -8.401735      9.334748
  F      -3.687455     -8.713819     10.860996
  C      -3.615658     -4.167020      9.719750
  C      -3.218008     -3.299310      8.732136
  C      -3.214297     -3.675467      7.364494
  C      -2.519589     -2.811771      6.459097
  O      -2.494835     -2.906072      5.210589
  H      -0.052319     -2.853501      1.590835
  H      -0.711830      1.374042      1.202023
  H      -3.073386      1.068984      1.924432
  H      -4.889750     -0.211326      2.243321
  H      -6.690217     -5.472463      5.611816
  H     -10.760914     -4.074113      5.190914
  H     -10.167373     -3.167356      2.916440
  H      -6.717145     -3.082422      1.493311
  H      -4.175035     -6.934825      7.796610
  H      -3.649761     -3.876908     10.768800
  H      -2.887123     -2.289747      8.985727
  H      -1.892087     -2.025690      6.921016
  N      -5.154417     -3.069823      5.296860
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.646161048739
  N      -2.537454     -3.445503      2.597269
  C      -1.650304     -4.567454      2.278902
  C      -2.083414     -5.878738      2.923977
  N      -3.534148     -5.985674      3.045242
  C      -4.287415     -5.923110      1.794037
  C      -5.747685     -5.609027      2.118992
  N      -5.827517     -4.731247      3.292743
  Mo     -4.238572     -3.888603      4.177684
  N      -3.740185     -5.343075      5.657047
  C      -3.601651     -6.774030      5.362549
  C      -3.953722     -7.079960      3.914943
  H      -4.273325     -7.382674      5.987235
  H      -2.573034     -7.094623      5.602400
  H      -5.041088     -7.184984      3.825477
  H      -3.502820     -8.043839      3.611169
  H      -6.216750     -5.148801      1.233501
  H      -6.325084     -6.528904      2.323106
  H      -3.860450     -5.113011      1.189142
  H      -4.220270     -6.862447      1.213310
  H      -0.615567     -4.391228      2.620168
  H      -1.594152     -4.682626      1.180067
  H      -1.677463     -5.927413      3.944425
  H      -1.652616     -6.729233      2.359520
  C      -2.069530     -2.240988      2.217955
  C      -0.747031     -2.029933      1.708467
  C      -0.273461     -0.769847      1.367641
  C       1.132926     -0.668438      0.922781
  O       1.919223     -1.598798      0.813913
  C       1.658355      0.711486      0.504286
  O       1.384957      1.312670     -0.487630
  F       2.608991      1.160415      1.376117
  C      -1.086552      0.386113      1.464197
  C      -2.388902      0.214579      1.877716
  C      -2.899372     -1.051565      2.245812
  C      -4.301786     -1.123865      2.482911
  O      -4.938755     -2.124925      2.880184
  C      -7.141617     -4.501136      3.756523
  C      -7.479725     -4.978481      5.030524
  C      -8.772804     -4.826550      5.536105
  C      -9.105871     -5.324056      6.883795
  O     -10.202975     -5.257306      7.415348
  C      -7.973854     -5.965379      7.706639
  O      -7.414474     -5.515666      8.653314
  F      -7.714600     -7.239962      7.254380
  C      -9.766047     -4.186802      4.767420
  C      -9.437137     -3.696396      3.516943
  C      -8.132025     -3.830894      3.001835
  C      -7.799278     -3.161370      1.720140
  O      -8.637087     -2.686810      0.966858
  C      -3.635907     -4.995044      6.970286
  C      -3.893447     -5.910531      8.029408
  C      -3.923286     -5.501372      9.357731
  C      -4.258375     -6.451289     10.440798
  O      -4.400268     -6.139468     11.612918
  C      -4.464750     -7.936637     10.092064
  O      -5.250416     -8.413063      9.332057
  F      -3.668562     -8.718210     10.874875
  C      -3.607816     -4.170592      9.725457
  C      -3.216675     -3.299695      8.738388
  C      -3.215675     -3.672804      7.369670
  C      -2.527147     -2.803679      6.465412
  O      -2.502197     -2.896588      5.216987
  H      -0.049623     -2.855913      1.592714
  H      -0.711181      1.369654      1.184180
  H      -3.070611      1.067765      1.914391
  H      -4.887161     -0.212225      2.247345
  H      -6.699821     -5.472705      5.611299
  H     -10.769442     -4.075485      5.178809
  H     -10.170221     -3.164055      2.908668
  H      -6.713375     -3.071398      1.500007
  H      -4.158705     -6.937582      7.798802
  H      -3.639968     -3.882385     10.775073
  H      -2.887736     -2.289746      8.992974
  H      -1.904294     -2.014578      6.928569
  N      -5.161576     -3.070334      5.300753
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.646148382900
  N      -2.526989     -3.439484      2.608058
  C      -1.642702     -4.564656      2.294818
  C      -2.083842     -5.871857      2.941418
  N      -3.535563     -5.978004      3.049834
  C      -4.282411     -5.908242      1.795142
  C      -5.744657     -5.593827      2.112125
  N      -5.832537     -4.722223      3.290516
  Mo     -4.246839     -3.880770      4.180783
  N      -3.744403     -5.335074      5.659855
  C      -3.620645     -6.768515      5.366718
  C      -3.960609     -7.073051      3.914722
  H      -4.308846     -7.367080      5.983312
  H      -2.599670     -7.102614      5.619524
  H      -5.046807     -7.181262      3.815455
  H      -3.505257     -8.035814      3.614082
  H      -6.205052     -5.126529      1.225943
  H      -6.324613     -6.513855      2.306703
  H      -3.850618     -5.095113      1.197769
  H      -4.213865     -6.844148      1.209210
  H      -0.608219     -4.391855      2.638891
  H      -1.584482     -4.682353      1.196389
  H      -1.688247     -5.916751      3.966129
  H      -1.646821     -6.723963      2.384133
  C      -2.059973     -2.238820      2.219341
  C      -0.739404     -2.032671      1.702520
  C      -0.266533     -0.775258      1.352038
  C       1.137327     -0.677105      0.898930
  O       1.919864     -1.609560      0.781508
  C       1.665449      0.702639      0.483847
  O       1.403202      1.301634     -0.512123
  F       2.616726      1.146293      1.358316
  C      -1.078097      0.382516      1.446668
  C      -2.377883      0.214960      1.869068
  C      -2.888350     -1.048400      2.246781
  C      -4.288126     -1.119957      2.492124
  O      -4.924735     -2.120851      2.893043
  C      -7.147721     -4.502076      3.755205
  C      -7.481258     -4.984534      5.028637
  C      -8.774154     -4.840460      5.536286
  C      -9.103414     -5.345387      6.881642
  O     -10.199392     -5.283977      7.416355
  C      -7.966746     -5.982396      7.701668
  O      -7.385470     -5.516550      8.627255
  F      -7.713643     -7.261110      7.259522
  C      -9.771747     -4.203999      4.769771
  C      -9.448240     -3.708998      3.520229
  C      -8.142404     -3.835063      3.003362
  C      -7.812967     -3.158044      1.725338
  O      -8.653483     -2.684934      0.973905
  C      -3.636016     -4.990032      6.973349
  C      -3.887636     -5.910124      8.030380
  C      -3.918434     -5.505771      9.360161
  C      -4.250149     -6.458812     10.441061
  O      -4.390688     -6.148635     11.613864
  C      -4.468741     -7.942721     10.087598
  O      -5.225619     -8.408223      9.292085
  F      -3.695890     -8.732537     10.882667
  C      -3.607995     -4.174375      9.731285
  C      -3.222718     -3.298903      8.746481
  C      -3.222223     -3.666754      7.375931
  C      -2.542200     -2.787930      6.475021
  O      -2.514946     -2.877248      5.226692
  H      -0.043690     -2.860351      1.588966
  H      -0.702835      1.363882      1.159364
  H      -3.058003      1.069435      1.905232
  H      -4.876010     -0.209280      2.260007
  H      -6.698432     -5.473945      5.609477
  H     -10.775207     -4.099015      5.182622
  H     -10.185095     -3.178600      2.915073
  H      -6.727648     -3.059120      1.506877
  H      -4.145766     -6.937971      7.796858
  H      -3.640585     -3.889038     10.781590
  H      -2.897418     -2.288522      9.003844
  H      -1.928509     -1.993871      6.942102
  N      -5.174028     -3.070462      5.305364
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.646198053131
  N      -2.523358     -3.436323      2.608247
  C      -1.639400     -4.563473      2.301735
  C      -2.088665     -5.868946      2.946343
  N      -3.541096     -5.969715      3.048305
  C      -4.282259     -5.896448      1.790401
  C      -5.745460     -5.580269      2.102055
  N      -5.836587     -4.711897      3.282787
  Mo     -4.253374     -3.871649      4.178220
  N      -3.751954     -5.327233      5.657510
  C      -3.637979     -6.762054      5.364419
  C      -3.972763     -7.064358      3.910219
  H      -4.335234     -7.354338      5.976941
  H      -2.621589     -7.104687      5.623670
  H      -5.058859     -7.169583      3.806513
  H      -3.519391     -8.028378      3.610822
  H      -6.201191     -5.109593      1.215254
  H      -6.327680     -6.499771      2.291586
  H      -3.846297     -5.083212      1.196241
  H      -4.213255     -6.831342      1.202944
  H      -0.606728     -4.393546      2.652677
  H      -1.574223     -4.681800      1.203761
  H      -1.697683     -5.915476      3.972681
  H      -1.652042     -6.722139      2.390442
  C      -2.052295     -2.237824      2.218888
  C      -0.730326     -2.036176      1.703231
  C      -0.254798     -0.780652      1.350125
  C       1.150133     -0.685566      0.899430
  O       1.931138     -1.619486      0.784596
  C       1.680422      0.692442      0.481272
  O       1.418694      1.290542     -0.515197
  F       2.620482      1.144056      1.363893
  C      -1.064108      0.378999      1.440618
  C      -2.364270      0.216034      1.863222
  C      -2.877885     -1.045073      2.244034
  C      -4.276598     -1.113030      2.492195
  O      -4.915765     -2.111617      2.895741
  C      -7.151688     -4.503333      3.751945
  C      -7.475298     -4.990260      5.026187
  C      -8.766571     -4.857041      5.540752
  C      -9.081082     -5.364702      6.888813
  O     -10.171526     -5.306235      7.435161
  C      -7.932418     -5.993198      7.697430
  O      -7.354776     -5.529228      8.626225
  F      -7.682820     -7.273487      7.257943
  C      -9.773193     -4.228751      4.779899
  C      -9.460234     -3.729856      3.529242
  C      -8.155722     -3.843578      3.006084
  C      -7.837549     -3.161371      1.728112
  O      -8.685047     -2.696030      0.979767
  C      -3.641215     -4.983992      6.970639
  C      -3.889960     -5.905647      8.027438
  C      -3.919465     -5.503073      9.357668
  C      -4.249763     -6.457846     10.438011
  O      -4.385000     -6.148853     11.611696
  C      -4.470441     -7.940849     10.082431
  O      -5.245068     -8.404000      9.302643
  F      -3.715887     -8.732956     10.892037
  C      -3.609775     -4.171714      9.729820
  C      -3.228434     -3.294476      8.745452
  C      -3.229744     -3.660189      7.373971
  C      -2.553196     -2.778198      6.473910
  O      -2.524559     -2.866848      5.225363
  H      -0.036878     -2.866118      1.593100
  H      -0.686351      1.358723      1.151029
  H      -3.042318      1.072198      1.897108
  H      -4.862729     -0.201076      2.260854
  H      -6.685493     -5.472645      5.603576
  H     -10.775256     -4.132302      5.198206
  H     -10.204790     -3.205437      2.928402
  H      -6.753826     -3.050211      1.507362
  H      -4.147562     -6.933401      7.793491
  H      -3.640933     -3.887763     10.780521
  H      -2.905112     -2.283651      9.003440
  H      -1.943712     -1.981602      6.942118
  N      -5.183720     -3.065485      5.303046
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.646218933771
  N      -2.525096     -3.436750      2.611521
  C      -1.638856     -4.562952      2.309501
  C      -2.089684     -5.867703      2.954199
  N      -3.542600     -5.965230      3.054810
  C      -4.281926     -5.890635      1.796413
  C      -5.745522     -5.572354      2.107318
  N      -5.836917     -4.708712      3.290555
  Mo     -4.255188     -3.867647      4.186893
  N      -3.753290     -5.327073      5.664876
  C      -3.642053     -6.760269      5.369942
  C      -3.977825     -7.059770      3.916013
  H      -4.339434     -7.351767      5.984027
  H      -2.625773     -7.105596      5.626870
  H      -5.063966     -7.161843      3.811983
  H      -3.526474     -8.024549      3.615796
  H      -6.198781     -5.098471      1.220631
  H      -6.330665     -6.490902      2.292638
  H      -3.844560     -5.079664      1.200513
  H      -4.214693     -6.826621      1.210082
  H      -0.607626     -4.389321      2.663154
  H      -1.567358     -4.684519      1.212033
  H      -1.700433     -5.913597      3.981202
  H      -1.656619     -6.724629      2.401355
  C      -2.052246     -2.238968      2.221912
  C      -0.730693     -2.038946      1.703148
  C      -0.254823     -0.784135      1.347824
  C       1.148835     -0.692276      0.892135
  O       1.929744     -1.627066      0.783014
  C       1.678733      0.683025      0.464464
  O       1.415743      1.274731     -0.535777
  F       2.617913      1.141950      1.343592
  C      -1.062757      0.376142      1.438568
  C      -2.362967      0.215732      1.861829
  C      -2.876900     -1.045029      2.244776
  C      -4.276186     -1.109200      2.493757
  O      -4.915985     -2.104460      2.903323
  C      -7.153734     -4.495553      3.752878
  C      -7.489705     -4.987287      5.021881
  C      -8.787397     -4.860414      5.523324
  C      -9.115995     -5.370496      6.868775
  O     -10.216604     -5.326495      7.394742
  C      -7.975605     -5.994596      7.693159
  O      -7.430999     -5.540451      8.646337
  F      -7.706310     -7.270735      7.250565
  C      -9.787137     -4.231199      4.755767
  C      -9.459726     -3.724076      3.511337
  C      -8.151015     -3.833133      3.000848
  C      -7.822363     -3.144891      1.727884
  O      -8.662688     -2.684103      0.969508
  C      -3.641797     -4.983971      6.976954
  C      -3.879362     -5.908053      8.034097
  C      -3.903352     -5.506553      9.364761
  C      -4.217208     -6.466756     10.447048
  O      -4.330574     -6.163908     11.624149
  C      -4.427406     -7.950123     10.090941
  O      -5.211615     -8.421398      9.326227
  F      -3.632122     -8.740142     10.866968
  C      -3.602331     -4.173874      9.736749
  C      -3.229076     -3.293699      8.750963
  C      -3.232078     -3.659648      7.380308
  C      -2.556946     -2.777654      6.478220
  O      -2.529458     -2.866060      5.229090
  H      -0.038725     -2.869938      1.591011
  H      -0.684614      1.355089      1.146151
  H      -3.040242      1.072451      1.894783
  H      -4.859067     -0.196264      2.258105
  H      -6.704902     -5.474175      5.600863
  H     -10.793792     -4.139098      5.163903
  H     -10.198468     -3.198694      2.903811
  H      -6.736000     -3.032806      1.516947
  H      -4.132256     -6.937457      7.800956
  H      -3.629874     -3.891290     10.787978
  H      -2.911563     -2.280752      9.008102
  H      -1.946934     -1.980075      6.943776
  N      -5.185379     -3.060718      5.311957
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.646186134722
  N      -2.526807     -3.438776      2.612983
  C      -1.640793     -4.563142      2.304176
  C      -2.085293     -5.868796      2.950920
  N      -3.537623     -5.969976      3.058083
  C      -4.281606     -5.899020      1.802332
  C      -5.745019     -5.584312      2.117248
  N      -5.835527     -4.718197      3.298556
  Mo     -4.254461     -3.874194      4.192954
  N      -3.742801     -5.331581      5.668612
  C      -3.622741     -6.763789      5.373429
  C      -3.965074     -7.065671      3.921891
  H      -4.311253     -7.360092      5.992931
  H      -2.602322     -7.101654      5.624051
  H      -5.051403     -7.171532      3.823773
  H      -3.511648     -8.028930      3.619848
  H      -6.202663     -5.114192      1.230746
  H      -6.327106     -6.504032      2.306790
  H      -3.848637     -5.087639      1.203800
  H      -4.213513     -6.835514      1.216790
  H      -0.607583     -4.387929      2.651282
  H      -1.575719     -4.684253      1.206210
  H      -1.691284     -5.913461      3.976106
  H      -1.653216     -6.725158      2.396387
  C      -2.056843     -2.239761      2.223829
  C      -0.737637     -2.037040      1.699620
  C      -0.264761     -0.780909      1.345171
  C       1.136464     -0.686988      0.882209
  O       1.917704     -1.620913      0.767713
  C       1.663456      0.689810      0.455643
  O       1.399065      1.281831     -0.544127
  F       2.610510      1.144066      1.328720
  C      -1.073393      0.378368      1.442357
  C      -2.371837      0.215798      1.870042
  C      -2.882898     -1.046649      2.251815
  C      -4.281272     -1.112983      2.504901
  O      -4.918431     -2.110031      2.914379
  C      -7.153365     -4.496263      3.754289
  C      -7.501304     -4.985423      5.021059
  C      -8.801772     -4.849587      5.513481
  C      -9.143373     -5.358356      6.856313
  O     -10.248014     -5.309335      7.373282
  C      -8.014113     -5.989421      7.690395
  O      -7.440750     -5.518950      8.618689
  F      -7.739962     -7.262910      7.244457
  C      -9.791958     -4.213805      4.739284
  C      -9.452060     -3.708357      3.497339
  C      -8.140908     -3.826487      2.995982
  C      -7.798823     -3.140303      1.725209
  O      -8.630229     -2.667224      0.964742
  C      -3.632111     -4.988084      6.980847
  C      -3.867987     -5.912941      8.037272
  C      -3.890930     -5.512487      9.368293
  C      -4.202811     -6.473449     10.450882
  O      -4.316035     -6.170263     11.627846
  C      -4.422649     -7.954950     10.092977
  O      -5.215709     -8.420234      9.333680
  F      -3.650352     -8.752302     10.884787
  C      -3.591024     -4.179720      9.740625
  C      -3.220831     -3.298011      8.754811
  C      -3.224981     -3.663142      7.384118
  C      -2.554741     -2.778109      6.480866
  O      -2.529851     -2.864751      5.231586
  H      -0.045521     -2.867195      1.582044
  H      -0.697472      1.358390      1.150446
  H      -3.049935      1.071706      1.907603
  H      -4.865766     -0.200091      2.273221
  H      -6.723950     -5.478387      5.604956
  H     -10.800828     -4.115227      5.140474
  H     -10.182860     -3.177855      2.884556
  H      -6.710074     -3.032393      1.523472
  H      -4.120671     -6.942279      7.803324
  H      -3.617123     -3.897965     10.792154
  H      -2.905553     -2.284372      9.012187
  H      -1.946361     -1.978900      6.945852
  N      -5.184627     -3.071392      5.321146
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.646289359927
  N      -2.523447     -3.438464      2.613227
  C      -1.639255     -4.564269      2.304086
  C      -2.086734     -5.869494      2.949943
  N      -3.539163     -5.969360      3.055948
  C      -4.281207     -5.898835      1.798618
  C      -5.745183     -5.585520      2.110108
  N      -5.838678     -4.718086      3.291024
  Mo     -4.260030     -3.873484      4.189224
  N      -3.744304     -5.328454      5.665187
  C      -3.625853     -6.762419      5.371144
  C      -3.966474     -7.065197      3.918856
  H      -4.317404     -7.356542      5.988587
  H      -2.607078     -7.101832      5.625568
  H      -5.052847     -7.172033      3.820043
  H      -3.512616     -8.028319      3.617265
  H      -6.201793     -5.116069      1.222958
  H      -6.326134     -6.505921      2.299523
  H      -3.847297     -5.085795      1.202816
  H      -4.210502     -6.834274      1.211986
  H      -0.605793     -4.393081      2.652354
  H      -1.575462     -4.683536      1.206010
  H      -1.692908     -5.915888      3.975076
  H      -1.653731     -6.724037      2.393274
  C      -2.053248     -2.240078      2.223657
  C      -0.733088     -2.037958      1.701769
  C      -0.260005     -0.782378      1.346469
  C       1.142309     -0.687280      0.886959
  O       1.923669     -1.620786      0.770959
  C       1.668928      0.690315      0.462467
  O       1.406273      1.283112     -0.537041
  F       2.609857      1.146876      1.341590
  C      -1.069011      0.377153      1.441014
  C      -2.367115      0.215038      1.869599
  C      -2.878882     -1.046613      2.252568
  C      -4.275511     -1.113391      2.509610
  O      -4.913171     -2.111392      2.918139
  C      -7.156465     -4.502855      3.749800
  C      -7.495977     -4.989363      5.019940
  C      -8.792679     -4.851507      5.520584
  C      -9.121947     -5.358125      6.866195
  O     -10.217772     -5.295299      7.401088
  C      -7.982296     -5.981776      7.690367
  O      -7.401754     -5.505860      8.611454
  F      -7.738523     -7.269740      7.271197
  C      -9.788629     -4.219370      4.749994
  C      -9.458796     -3.718827      3.503823
  C      -8.149542     -3.836472      2.995309
  C      -7.813812     -3.151549      1.722816
  O      -8.649628     -2.679227      0.966222
  C      -3.631905     -4.985607      6.977906
  C      -3.869540     -5.910694      8.034111
  C      -3.892792     -5.511499      9.365356
  C      -4.207335     -6.472180     10.446259
  O      -4.336369     -6.166381     11.621211
  C      -4.443341     -7.950807     10.084330
  O      -5.224061     -8.402527      9.303835
  F      -3.679778     -8.756596     10.872757
  C      -3.590316     -4.178972      9.738491
  C      -3.222081     -3.296515      8.753470
  C      -3.228031     -3.659510      7.381465
  C      -2.564433     -2.769149      6.479542
  O      -2.539169     -2.854551      5.230391
  H      -0.040779     -2.868367      1.587885
  H      -0.692684      1.356876      1.148983
  H      -3.044832      1.071315      1.907327
  H      -4.861831     -0.200537      2.282813
  H      -6.714418     -5.476855      5.604116
  H     -10.794885     -4.120024      5.157580
  H     -10.194430     -3.190615      2.895120
  H      -6.726469     -3.040275      1.517711
  H      -4.122602     -6.939561      7.799384
  H      -3.615500     -3.898010     10.790226
  H      -2.906255     -2.283276      9.011625
  H      -1.961886     -1.966662      6.946644
  N      -5.194921     -3.078826      5.318802
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.646314229060
  N      -2.517708     -3.434975      2.616084
  C      -1.636433     -4.564065      2.311873
  C      -2.093249     -5.866456      2.956559
  N      -3.546691     -5.959152      3.055706
  C      -4.282450     -5.884013      1.794744
  C      -5.747276     -5.567613      2.099261
  N      -5.844480     -4.704292      3.282906
  Mo     -4.268939     -3.862433      4.188235
  N      -3.754929     -5.319383      5.664220
  C      -3.646993     -6.754341      5.370015
  C      -3.982410     -7.054031      3.915513
  H      -4.347844     -7.342095      5.983170
  H      -2.632899     -7.103085      5.630322
  H      -5.068697     -7.156645      3.811478
  H      -3.531051     -8.018637      3.614932
  H      -6.198017     -5.093964      1.211377
  H      -6.331344     -6.487116      2.282933
  H      -3.843167     -5.071066      1.202814
  H      -4.211580     -6.818529      1.206680
  H      -0.603944     -4.396770      2.664997
  H      -1.567705     -4.684703      1.214232
  H      -1.704570     -5.914217      3.983597
  H      -1.662080     -6.723551      2.402453
  C      -2.043444     -2.239527      2.224452
  C      -0.722068     -2.042585      1.702933
  C      -0.245494     -0.789531      1.344205
  C       1.157237     -0.699306      0.884986
  O       1.936146     -1.635094      0.771125
  C       1.688069      0.676190      0.459247
  O       1.435831      1.263883     -0.545855
  F       2.627986      1.131587      1.340225
  C      -1.051402      0.372663      1.434959
  C      -2.349699      0.215877      1.864420
  C      -2.865371     -1.043241      2.251202
  C      -4.261164     -1.104472      2.511077
  O      -4.902582     -2.099396      2.922831
  C      -7.162094     -4.501465      3.747210
  C      -7.490922     -4.995548      5.017032
  C      -8.785571     -4.869609      5.525481
  C      -9.101385     -5.381930      6.872181
  O     -10.195862     -5.337011      7.411648
  C      -7.952585     -6.007338      7.682453
  O      -7.369891     -5.537746      8.605352
  F      -7.712173     -7.293912      7.256639
  C      -9.790858     -4.242898      4.762568
  C      -9.471918     -3.735384      3.516290
  C      -8.164373     -3.840301      3.000391
  C      -7.840216     -3.147048      1.729464
  O      -8.683580     -2.693059      0.970056
  C      -3.641913     -4.977212      6.976719
  C      -3.877337     -5.903388      8.032851
  C      -3.901893     -5.505034      9.364248
  C      -4.214909     -6.466990     10.444555
  O      -4.319330     -6.166572     11.623331
  C      -4.432540     -7.948883     10.084546
  O      -5.210981     -8.410819      9.307770
  F      -3.652507     -8.744097     10.867337
  C      -3.601890     -4.172154      9.738279
  C      -3.236039     -3.288314      8.753738
  C      -3.241240     -3.650068      7.381287
  C      -2.581580     -2.755188      6.481034
  O      -2.554285     -2.838825      5.231659
  H      -0.032186     -2.875433      1.592330
  H      -0.672115      1.350374      1.140041
  H      -3.024581      1.074422      1.900389
  H      -4.844927     -0.190126      2.284332
  H      -6.702236     -5.478204      5.595500
  H     -10.795546     -4.152912      5.176058
  H     -10.215098     -3.210890      2.913632
  H      -6.754822     -3.038477      1.512844
  H      -4.127281     -6.932779      7.797737
  H      -3.627796     -3.891799     10.790119
  H      -2.922918     -2.274417      9.012492
  H      -1.984606     -1.949525      6.949772
  N      -5.208955     -3.073424      5.317439
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.646364500510
  N      -2.512295     -3.434575      2.620833
  C      -1.632710     -4.565683      2.321468
  C      -2.096400     -5.864854      2.967061
  N      -3.550794     -5.950618      3.061487
  C      -4.281487     -5.872001      1.797882
  C      -5.747128     -5.552357      2.096570
  N      -5.847626     -4.694898      3.283641
  Mo     -4.275807     -3.853741      4.194741
  N      -3.759126     -5.313379      5.669716
  C      -3.659903     -6.748029      5.374844
  C      -3.993593     -7.044536      3.919401
  H      -4.366496     -7.330799      5.986847
  H      -2.648832     -7.104498      5.636869
  H      -5.079854     -7.142812      3.812360
  H      -3.544944     -8.010480      3.618927
  H      -6.191980     -5.073840      1.208187
  H      -6.335000     -6.470700      2.273574
  H      -3.837763     -5.060409      1.207628
  H      -4.211265     -6.806611      1.209686
  H      -0.600979     -4.398980      2.677360
  H      -1.559090     -4.690027      1.224398
  H      -1.711873     -5.912089      3.995694
  H      -1.669042     -6.726577      2.417295
  C      -2.035342     -2.241949      2.225820
  C      -0.714332     -2.049479      1.700261
  C      -0.236080     -0.798835      1.336088
  C       1.165124     -0.713763      0.871252
  O       1.941960     -1.651541      0.759503
  C       1.697525      0.658497      0.437102
  O       1.438228      1.245791     -0.566564
  F       2.622162      1.129218      1.326017
  C      -1.039202      0.365517      1.425051
  C      -2.336710      0.213857      1.858136
  C      -2.854380     -1.043186      2.250629
  C      -4.249363     -1.098190      2.515469
  O      -4.893269     -2.088887      2.934441
  C      -7.166517     -4.497409      3.746703
  C      -7.498366     -5.004267      5.010509
  C      -8.796383     -4.891493      5.513893
  C      -9.115888     -5.416457      6.855704
  O     -10.216050     -5.391661      7.384175
  C      -7.966657     -6.036750      7.670325
  O      -7.396448     -5.569036      8.601859
  F      -7.706731     -7.317176      7.235853
  C      -9.801693     -4.263522      4.752680
  C      -9.478575     -3.741378      3.513076
  C      -8.168807     -3.834366      3.001954
  C      -7.843038     -3.127307      1.738684
  O      -8.684578     -2.655144      0.988864
  C      -3.644158     -4.970881      6.981174
  C      -3.869316     -5.899077      8.037917
  C      -3.890715     -5.501583      9.369579
  C      -4.190289     -6.467564     10.451008
  O      -4.279212     -6.171585     11.631954
  C      -4.410511     -7.948093     10.088832
  O      -5.198744     -8.408840      9.321529
  F      -3.619289     -8.747546     10.857979
  C      -3.599177     -4.167180      9.743493
  C      -3.241890     -3.280532      8.757846
  C      -3.248408     -3.641893      7.385671
  C      -2.595884     -2.741909      6.484711
  O      -2.569221     -2.823586      5.234773
  H      -0.026865     -2.884461      1.590207
  H      -0.658404      1.341230      1.125054
  H      -3.009232      1.074218      1.893135
  H      -4.830072     -0.182496      2.286973
  H      -6.709664     -5.489729      5.585604
  H     -10.808878     -4.183560      5.162056
  H     -10.221623     -3.215513      2.911268
  H      -6.756901     -2.990941      1.540025
  H      -4.112780     -6.930232      7.803432
  H      -3.622882     -3.887669     10.795609
  H      -2.935213     -2.264492      9.015981
  H      -2.004075     -1.932014      6.952502
  N      -5.220551     -3.070731      5.324453
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.646451708348
  N      -2.515125     -3.437672      2.623342
  C      -1.635393     -4.567597      2.321376
  C      -2.098218     -5.866902      2.967603
  N      -3.552621     -5.948286      3.069416
  C      -4.283864     -5.873221      1.805884
  C      -5.749706     -5.554608      2.103574
  N      -5.850801     -4.699612      3.291803
  Mo     -4.283648     -3.854008      4.206747
  N      -3.751860     -5.313354      5.678270
  C      -3.648048     -6.746882      5.381589
  C      -3.992867     -7.042365      3.929097
  H      -4.346202     -7.333086      6.000056
  H      -2.633116     -7.099300      5.634353
  H      -5.080153     -7.137554      3.829837
  H      -3.548438     -8.009028      3.624769
  H      -6.195021     -5.075594      1.215456
  H      -6.337791     -6.473205      2.279181
  H      -3.840951     -5.062737      1.213598
  H      -4.212041     -6.809159      1.219892
  H      -0.603039     -4.400421      2.675373
  H      -1.562690     -4.692140      1.224172
  H      -1.707807     -5.916797      3.993795
  H      -1.678250     -6.730001      2.414404
  C      -2.038161     -2.244644      2.230359
  C      -0.717913     -2.051233      1.701746
  C      -0.240959     -0.800580      1.336787
  C       1.159085     -0.715372      0.867924
  O       1.937649     -1.652236      0.760140
  C       1.687777      0.656068      0.426599
  O       1.438733      1.229351     -0.587784
  F       2.627290      1.122812      1.301768
  C      -1.044028      0.363664      1.427921
  C      -2.340109      0.212505      1.864866
  C      -2.856812     -1.045003      2.258575
  C      -4.249934     -1.096975      2.531762
  O      -4.893876     -2.085573      2.956593
  C      -7.172389     -4.495772      3.745289
  C      -7.521141     -5.008192      5.002265
  C      -8.824868     -4.893293      5.490929
  C      -9.160773     -5.427048      6.825628
  O     -10.265731     -5.398680      7.343664
  C      -8.019762     -6.044263      7.653189
  O      -7.464761     -5.578647      8.594902
  F      -7.745026     -7.320083      7.213828
  C      -9.818622     -4.256434      4.722685
  C      -9.478009     -3.727913      3.490098
  C      -8.163345     -3.824155      2.993525
  C      -7.819241     -3.112719      1.737319
  O      -8.648716     -2.635197      0.977881
  C      -3.631804     -4.970029      6.988610
  C      -3.841145     -5.900352      8.046642
  C      -3.853123     -5.504131      9.378620
  C      -4.132199     -6.475406     10.461313
  O      -4.230923     -6.179880     11.641516
  C      -4.374986     -7.949865     10.092692
  O      -5.194232     -8.395987      9.349655
  F      -3.584779     -8.765469     10.847178
  C      -3.569940     -4.167910      9.751393
  C      -3.228963     -3.277394      8.763265
  C      -3.243481     -3.637968      7.391023
  C      -2.606922     -2.730485      6.486231
  O      -2.587196     -2.809801      5.235510
  H      -0.030940     -2.886404      1.589604
  H      -0.664162      1.339460      1.126653
  H      -3.012272      1.073012      1.902909
  H      -4.829563     -0.179874      2.306564
  H      -6.741287     -5.502644      5.581854
  H     -10.830274     -4.175194      5.120720
  H     -10.211728     -3.195770      2.882204
  H      -6.729497     -2.981972      1.552127
  H      -4.079512     -6.933236      7.813537
  H      -3.585669     -3.889930     10.804121
  H      -2.929801     -2.258615      9.019582
  H      -2.020685     -1.914642      6.950451
  N      -5.234975     -3.084441      5.340694
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.646473492310
  N      -2.515174     -3.441977      2.624542
  C      -1.639535     -4.572125      2.313177
  C      -2.100263     -5.871246      2.960849
  N      -3.554416     -5.950653      3.071075
  C      -4.287829     -5.880025      1.808070
  C      -5.753375     -5.563943      2.104815
  N      -5.854727     -4.705994      3.290504
  Mo     -4.292296     -3.859003      4.212607
  N      -3.745095     -5.315150      5.680228
  C      -3.632279     -6.748059      5.382677
  C      -3.988789     -7.045076      3.933481
  H      -4.319259     -7.339710      6.008108
  H      -2.612270     -7.092484      5.625746
  H      -5.077002     -7.140013      3.842920
  H      -3.546632     -8.011677      3.625771
  H      -6.201396     -5.088606      1.216070
  H      -6.339309     -6.483327      2.284179
  H      -3.847010     -5.069226      1.214586
  H      -4.213121     -6.816798      1.223881
  H      -0.604233     -4.408394      2.660035
  H      -1.575491     -4.694508      1.215226
  H      -1.703071     -5.923182      3.984214
  H      -1.685448     -6.734049      2.403339
  C      -2.038106     -2.248449      2.234757
  C      -0.718881     -2.054314      1.703134
  C      -0.241451     -0.803219      1.341371
  C       1.157416     -0.717340      0.869153
  O       1.934397     -1.654455      0.753328
  C       1.685103      0.654879      0.428660
  O       1.414224      1.242562     -0.571750
  F       2.604976      1.135441      1.317487
  C      -1.042922      0.361918      1.438858
  C      -2.337356      0.210889      1.880115
  C      -2.854814     -1.047436      2.271125
  C      -4.245712     -1.097436      2.551612
  O      -4.890922     -2.086249      2.975890
  C      -7.177687     -4.499516      3.739733
  C      -7.531811     -5.009149      4.996271
  C      -8.835403     -4.884695      5.482521
  C      -9.175242     -5.416907      6.816229
  O     -10.278528     -5.376527      7.337508
  C      -8.034570     -6.024632      7.650453
  O      -7.456921     -5.535140      8.566269
  F      -7.766630     -7.308113      7.231685
  C      -9.824035     -4.242671      4.711580
  C      -9.478501     -3.718314      3.478671
  C      -8.163141     -3.823275      2.985044
  C      -7.811293     -3.118064      1.727645
  O      -8.636041     -2.652351      0.955662
  C      -3.623453     -4.970854      6.990261
  C      -3.829545     -5.901420      8.048377
  C      -3.839414     -5.505811      9.380441
  C      -4.116682     -6.477556     10.462675
  O      -4.211503     -6.183168     11.643620
  C      -4.367559     -7.950292     10.092185
  O      -5.186968     -8.389184      9.344785
  F      -3.575956     -8.770852     10.838511
  C      -3.556114     -4.169273      9.752786
  C      -3.221663     -3.277244      8.763953
  C      -3.240587     -3.636671      7.391162
  C      -2.617510     -2.721506      6.484611
  O      -2.603713     -2.797078      5.233368
  H      -0.033215     -2.889988      1.586634
  H      -0.662692      1.338309      1.139932
  H      -3.008025      1.072311      1.924429
  H      -4.824959     -0.178350      2.334252
  H      -6.755802     -5.506305      5.579529
  H     -10.835839     -4.154603      5.107836
  H     -10.208061     -3.182646      2.868924
  H      -6.720357     -3.019084      1.530476
  H      -4.067700     -6.934321      7.814860
  H      -3.568845     -3.891708     10.805679
  H      -2.925232     -2.257560      9.019858
  H      -2.037087     -1.901078      6.948055
  N      -5.250999     -3.104349      5.350404
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.646677699163
  N      -2.512421     -3.442256      2.625745
  C      -1.642599     -4.574952      2.308998
  C      -2.106579     -5.871916      2.957970
  N      -3.561017     -5.947394      3.069722
  C      -4.291540     -5.879589      1.804175
  C      -5.757288     -5.564580      2.094091
  N      -5.862134     -4.702927      3.276638
  Mo     -4.306689     -3.856528      4.211674
  N      -3.749664     -5.308627      5.677886
  C      -3.633560     -6.742113      5.381200
  C      -3.995203     -7.040787      3.933312
  H      -4.316506     -7.335095      6.009333
  H      -2.611819     -7.083479      5.620830
  H      -5.084008     -7.134018      3.845832
  H      -3.555450     -8.008262      3.625010
  H      -6.204217     -5.092848      1.203126
  H      -6.342015     -6.484327      2.275838
  H      -3.849284     -5.068347      1.212263
  H      -4.212660     -6.816916      1.221678
  H      -0.605130     -4.417268      2.652022
  H      -1.584665     -4.696005      1.210669
  H      -1.707568     -5.925092      3.980466
  H      -1.694541     -6.735121      2.399041
  C      -2.033146     -2.249986      2.237452
  C      -0.713482     -2.058080      1.705777
  C      -0.232785     -0.808034      1.346010
  C       1.166247     -0.724462      0.874064
  O       1.940157     -1.663439      0.752820
  C       1.698330      0.648448      0.441441
  O       1.445101      1.232831     -0.565310
  F       2.635791      1.109476      1.322742
  C      -1.031306      0.359505      1.446078
  C      -2.325021      0.210835      1.889576
  C      -2.846102     -1.046663      2.279118
  C      -4.234996     -1.092925      2.564469
  O      -4.884276     -2.080984      2.986980
  C      -7.185546     -4.506403      3.729638
  C      -7.530156     -5.021178      4.986547
  C      -8.829195     -4.896796      5.483406
  C      -9.156534     -5.432114      6.817994
  O     -10.255450     -5.397790      7.349626
  C      -8.007020     -6.041947      7.638280
  O      -7.409785     -5.547385      8.538760
  F      -7.772093     -7.338261      7.241688
  C      -9.824054     -4.253113      4.720820
  C      -9.489162     -3.725910      3.486566
  C      -8.176425     -3.828411      2.983457
  C      -7.832794     -3.119697      1.726282
  O      -8.662753     -2.635498      0.971004
  C      -3.627750     -4.962694      6.987561
  C      -3.835313     -5.892105      8.046353
  C      -3.847821     -5.495465      9.378017
  C      -4.130776     -6.464843     10.459820
  O      -4.202541     -6.173761     11.643488
  C      -4.360678     -7.942686     10.093569
  O      -5.166801     -8.392667      9.338073
  F      -3.554669     -8.748105     10.838316
  C      -3.562422     -4.158528      9.749226
  C      -3.229680     -3.266920      8.759885
  C      -3.249804     -3.626331      7.386557
  C      -2.637336     -2.704489      6.479636
  O      -2.626488     -2.777348      5.228039
  H      -0.029802     -2.895273      1.588578
  H      -0.648642      1.335384      1.149009
  H      -2.992877      1.074290      1.937583
  H      -4.812963     -0.171709      2.353664
  H      -6.749362     -5.516593      5.565716
  H     -10.832636     -4.165458      5.125262
  H     -10.223642     -3.188176      2.884828
  H      -6.743651     -3.010569      1.527589
  H      -4.072836     -6.924973      7.812704
  H      -3.575851     -3.879765     10.801754
  H      -2.934231     -2.246854      9.015220
  H      -2.063796     -1.879567      6.943706
  N      -5.275972     -3.116434      5.349758
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.646788974875
  N      -2.507056     -3.440737      2.629592
  C      -1.642002     -4.578111      2.319176
  C      -2.117452     -5.869186      2.971041
  N      -3.573242     -5.932628      3.076576
  C      -4.294078     -5.862641      1.805679
  C      -5.760548     -5.541809      2.084654
  N      -5.870297     -4.685503      3.269980
  Mo     -4.322575     -3.840372      4.218593
  N      -3.760550     -5.294458      5.683901
  C      -3.657034     -6.728206      5.387002
  C      -4.019981     -7.022526      3.938678
  H      -4.346446     -7.314921      6.014387
  H      -2.638604     -7.079695      5.626385
  H      -5.109412     -7.105030      3.848720
  H      -3.588648     -7.993913      3.630681
  H      -6.198628     -5.064963      1.191935
  H      -6.350782     -6.459467      2.258916
  H      -3.843814     -5.054404      1.215942
  H      -4.214636     -6.801411      1.225515
  H      -0.604881     -4.424285      2.665227
  H      -1.579398     -4.704329      1.221537
  H      -1.723104     -5.921577      3.995366
  H      -1.711729     -6.739005      2.417894
  C      -2.022121     -2.252629      2.238552
  C      -0.701965     -2.068085      1.703854
  C      -0.215966     -0.821793      1.339343
  C       1.182238     -0.746809      0.863744
  O       1.952692     -1.689324      0.747451
  C       1.721008      0.622298      0.427692
  O       1.475657      1.202190     -0.583645
  F       2.656671      1.083752      1.310582
  C      -1.008956      0.350091      1.437456
  C      -2.302001      0.209459      1.884665
  C      -2.828805     -1.044559      2.279767
  C      -4.216256     -1.079596      2.571969
  O      -4.872337     -2.060685      3.002179
  C      -7.195045     -4.502278      3.725694
  C      -7.536260     -5.042057      4.972787
  C      -8.836269     -4.937429      5.471202
  C      -9.159459     -5.495502      6.798079
  O     -10.264625     -5.503614      7.317068
  C      -8.006166     -6.118338      7.604959
  O      -7.424160     -5.647897      8.527798
  F      -7.758035     -7.402665      7.175800
  C      -9.835792     -4.287811      4.719855
  C      -9.503649     -3.735043      3.495827
  C      -8.190172     -3.818270      2.991327
  C      -7.850621     -3.082414      1.748630
  O      -8.683046     -2.592421      1.000120
  C      -3.631804     -4.946537      6.991605
  C      -3.824853     -5.876275      8.053355
  C      -3.829292     -5.478407      9.384656
  C      -4.091934     -6.450915     10.469084
  O      -4.161562     -6.160557     11.652965
  C      -4.336135     -7.925885     10.101610
  O      -5.159960     -8.368979      9.361503
  F      -3.527042     -8.740048     10.834874
  C      -3.552213     -4.139168      9.752924
  C      -3.232361     -3.246398      8.760176
  C      -3.258526     -3.607487      7.387512
  C      -2.658183     -2.681176      6.477337
  O      -2.652712     -2.753216      5.225049
  H      -0.022423     -2.908830      1.587660
  H      -0.622230      1.323073      1.135983
  H      -2.964987      1.076619      1.932308
  H      -4.788220     -0.154978      2.360474
  H      -6.751982     -5.543332      5.541100
  H     -10.845107     -4.214765      5.125244
  H     -10.241597     -3.191462      2.903591
  H      -6.761789     -2.960229      1.554156
  H      -4.055019     -6.911439      7.822687
  H      -3.559689     -3.859564     10.805265
  H      -2.942520     -2.223994      9.012481
  H      -2.088677     -1.851538      6.937526
  N      -5.302196     -3.111975      5.355457
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.646922656453
  N      -2.507055     -3.442475      2.632908
  C      -1.645243     -4.582385      2.325192
  C      -2.127160     -5.869194      2.980699
  N      -3.583857     -5.923600      3.084501
  C      -4.296724     -5.855872      1.809237
  C      -5.764366     -5.531821      2.079166
  N      -5.879429     -4.679458      3.266254
  Mo     -4.341327     -3.832382      4.229128
  N      -3.766893     -5.287209      5.691428
  C      -3.666952     -6.720215      5.392954
  C      -4.038207     -7.010766      3.946521
  H      -4.353888     -7.306749      6.023449
  H      -2.647625     -7.074101      5.625202
  H      -5.128674     -7.082721      3.859899
  H      -3.616419     -7.985729      3.636549
  H      -6.196219     -5.051574      1.184931
  H      -6.358321     -6.448228      2.247655
  H      -3.841248     -5.050722      1.219532
  H      -4.214732     -6.796967      1.233155
  H      -0.607753     -4.430979      2.671360
  H      -1.581010     -4.712579      1.227967
  H      -1.733465     -5.920608      4.005250
  H      -1.727985     -6.744187      2.431062
  C      -2.017820     -2.256477      2.243275
  C      -0.697528     -2.075982      1.705864
  C      -0.207371     -0.831728      1.341028
  C       1.190077     -0.762322      0.862547
  O       1.957068     -1.707661      0.745732
  C       1.731383      0.603618      0.419889
  O       1.484816      1.180070     -0.593197
  F       2.668967      1.067451      1.299267
  C      -0.995925      0.343344      1.441286
  C      -2.288010      0.207852      1.891993
  C      -2.819302     -1.044506      2.288339
  C      -4.204938     -1.070034      2.588118
  O      -4.867179     -2.045379      3.023585
  C      -7.207397     -4.502237      3.717027
  C      -7.556423     -5.060237      4.953804
  C      -8.859853     -4.964490      5.444917
  C      -9.190858     -5.540229      6.762721
  O     -10.298883     -5.554726      7.274818
  C      -8.034293     -6.138828      7.583901
  O      -7.473986     -5.656562      8.513923
  F      -7.750256     -7.416726      7.155989
  C      -9.854883     -4.304730      4.696570
  C      -9.514611     -3.734459      3.482673
  C      -8.198074     -3.810071      2.985324
  C      -7.850512     -3.060404      1.753126
  O      -8.677495     -2.558654      1.006657
  C      -3.630197     -4.937787      6.997382
  C      -3.805302     -5.869112      8.061170
  C      -3.800036     -5.471336      9.392363
  C      -4.041886     -6.448098     10.478113
  O      -4.097187     -6.162025     11.663696
  C      -4.282049     -7.923044     10.109824
  O      -5.123320     -8.369980      9.392293
  F      -3.450702     -8.735004     10.822021
  C      -3.531234     -4.130123      9.758745
  C      -3.227733     -3.234697      8.763114
  C      -3.263224     -3.596068      7.390779
  C      -2.679550     -2.664503      6.476332
  O      -2.684074     -2.735578      5.223488
  H      -0.021376     -2.919194      1.587272
  H      -0.606199      1.314876      1.138805
  H      -2.946993      1.077871      1.942422
  H      -4.771153     -0.141450      2.379016
  H      -6.775289     -5.570490      5.518004
  H     -10.866955     -4.238117      5.096121
  H     -10.249082     -3.183755      2.892597
  H      -6.759931     -2.937542      1.566595
  H      -4.028457     -6.906316      7.832517
  H      -3.530913     -3.850869     10.811214
  H      -2.944420     -2.209878      9.012969
  H      -2.112606     -1.830261      6.930838
  N      -5.333646     -3.120955      5.365849
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647067581956
  N      -2.506960     -3.444823      2.630162
  C      -1.652143     -4.587302      2.315837
  C      -2.132637     -5.868653      2.982962
  N      -3.589936     -5.920034      3.091587
  C      -4.299384     -5.864218      1.813901
  C      -5.769445     -5.539994      2.077932
  N      -5.890757     -4.682845      3.261432
  Mo     -4.363558     -3.831438      4.238805
  N      -3.763280     -5.279195      5.697293
  C      -3.650648     -6.711042      5.399193
  C      -4.042600     -7.003193      3.959379
  H      -4.319637     -7.306686      6.040302
  H      -2.623261     -7.052657      5.613545
  H      -5.134849     -7.065175      3.886796
  H      -3.632477     -7.982202      3.646312
  H      -6.200415     -5.063429      1.180957
  H      -6.362974     -6.456304      2.249344
  H      -3.843796     -5.063138      1.219018
  H      -4.211935     -6.810213      1.246842
  H      -0.610218     -4.439607      2.650052
  H      -1.600022     -4.722086      1.218461
  H      -1.733778     -5.912970      4.005598
  H      -1.737974     -6.748419      2.437700
  C      -2.014985     -2.259645      2.245145
  C      -0.696675     -2.081332      1.700879
  C      -0.201754     -0.837747      1.341503
  C       1.193213     -0.773008      0.855751
  O       1.954345     -1.721753      0.727854
  C       1.739600      0.592487      0.418089
  O       1.482724      1.180511     -0.585781
  F       2.688455      1.044319      1.291511
  C      -0.984111      0.341144      1.454477
  C      -2.273589      0.208603      1.912424
  C      -2.809915     -1.043701      2.304081
  C      -4.192417     -1.060681      2.614218
  O      -4.862603     -2.032153      3.048451
  C      -7.222180     -4.509942      3.707501
  C      -7.579787     -5.086423      4.933187
  C      -8.882802     -4.984086      5.423354
  C      -9.222613     -5.575349      6.731564
  O     -10.333181     -5.595238      7.237784
  C      -8.067008     -6.169060      7.557952
  O      -7.498213     -5.672813      8.475461
  F      -7.787662     -7.453245      7.146835
  C      -9.869059     -4.301707      4.682857
  C      -9.521042     -3.717752      3.478029
  C      -8.203925     -3.800256      2.982079
  C      -7.845904     -3.047215      1.755352
  O      -8.665653     -2.519206      1.018920
  C      -3.620279     -4.925725      7.001993
  C      -3.784223     -5.857886      8.066755
  C      -3.773396     -5.460354      9.397864
  C      -4.009674     -6.438327     10.483162
  O      -4.056456     -6.155096     11.669866
  C      -4.256531     -7.912299     10.113652
  O      -5.105634     -8.355541      9.403123
  F      -3.418815     -8.726845     10.814850
  C      -3.506399     -4.118238      9.763113
  C      -3.215867     -3.220629      8.765807
  C      -3.261691     -3.581428      7.393294
  C      -2.701273     -2.644001      6.473489
  O      -2.724559     -2.715700      5.221216
  H      -0.025101     -2.926795      1.571687
  H      -0.591399      1.312658      1.156016
  H      -2.927428      1.081915      1.973129
  H      -4.752465     -0.126179      2.415483
  H      -6.804717     -5.613357      5.490908
  H     -10.881194     -4.229825      5.081423
  H     -10.248979     -3.152112      2.894059
  H      -6.754011     -2.951097      1.560761
  H      -4.004740     -6.895792      7.838182
  H      -3.500620     -3.839095     10.815609
  H      -2.937209     -2.194191      9.014111
  H      -2.135083     -1.804654      6.919087
  N      -5.374184     -3.146602      5.375193
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647185943434
  N      -2.492844     -3.441252      2.642361
  C      -1.646865     -4.591737      2.338265
  C      -2.142816     -5.860828      3.016774
  N      -3.602221     -5.902509      3.108216
  C      -4.295439     -5.845930      1.821494
  C      -5.768263     -5.512760      2.064383
  N      -5.904892     -4.665364      3.253426
  Mo     -4.392544     -3.812691      4.252238
  N      -3.778575     -5.259840      5.710736
  C      -3.684870     -6.694020      5.415303
  C      -4.072384     -6.980480      3.972883
  H      -4.369181     -7.279057      6.050308
  H      -2.664709     -7.051679      5.636685
  H      -5.164947     -7.027861      3.894619
  H      -3.673866     -7.965071      3.661946
  H      -6.179485     -5.022985      1.165212
  H      -6.371044     -6.425817      2.217879
  H      -3.827557     -5.049139      1.230919
  H      -4.206007     -6.793955      1.258415
  H      -0.603956     -4.451161      2.673080
  H      -1.593880     -4.737184      1.242225
  H      -1.755575     -5.893486      4.044089
  H      -1.746922     -6.749723      2.487405
  C      -1.997960     -2.262590      2.249196
  C      -0.682150     -2.092976      1.694510
  C      -0.184450     -0.854257      1.324285
  C       1.206570     -0.798504      0.826947
  O       1.960399     -1.752073      0.691111
  C       1.757288      0.562754      0.382195
  O       1.497063      1.149236     -0.621664
  F       2.713126      1.012750      1.249075
  C      -0.961429      0.329480      1.437397
  C      -2.246852      0.205189      1.907534
  C      -2.787443     -1.042390      2.310595
  C      -4.165661     -1.047992      2.635057
  O      -4.845528     -2.011735      3.076376
  C      -7.240549     -4.511189      3.695163
  C      -7.600051     -5.120201      4.904301
  C      -8.903906     -5.031367      5.393716
  C      -9.247222     -5.653088      6.686542
  O     -10.360042     -5.692452      7.186068
  C      -8.087901     -6.246152      7.509583
  O      -7.529227     -5.754546      8.435569
  F      -7.785921     -7.519111      7.078807
  C      -9.888513     -4.330493      4.667144
  C      -9.538990     -3.715829      3.478687
  C      -8.219718     -3.784605      2.984480
  C      -7.856090     -3.003185      1.777989
  O      -8.672720     -2.455071      1.052633
  C      -3.623268     -4.906179      7.012916
  C      -3.763409     -5.843718      8.077692
  C      -3.742459     -5.450368      9.409615
  C      -3.957641     -6.434397     10.493180
  O      -3.986704     -6.157376     11.681982
  C      -4.201667     -7.909350     10.121152
  O      -5.052304     -8.354761      9.413808
  F      -3.353374     -8.719986     10.812694
  C      -3.485445     -4.106257      9.776569
  C      -3.216045     -3.202872      8.779093
  C      -3.274332     -3.559112      7.405247
  C      -2.738000     -2.611924      6.482998
  O      -2.775749     -2.683271      5.230572
  H      -0.015160     -2.942154      1.564778
  H      -0.566755      1.297372      1.130152
  H      -2.895113      1.082614      1.969813
  H      -4.719656     -0.108766      2.442739
  H      -6.825509     -5.659229      5.451315
  H     -10.901625     -4.268294      5.064927
  H     -10.265956     -3.135699      2.908025
  H      -6.763684     -2.911057      1.584505
  H      -3.969594     -6.884050      7.848103
  H      -3.471400     -3.830011     10.829716
  H      -2.944264     -2.174641      9.027479
  H      -2.179763     -1.764174      6.922423
  N      -5.425755     -3.155481      5.383062
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647277656484
  N      -2.478151     -3.440609      2.649771
  C      -1.639846     -4.595019      2.344987
  C      -2.138753     -5.855041      3.037289
  N      -3.599234     -5.898515      3.121615
  C      -4.289355     -5.847139      1.833054
  C      -5.764470     -5.511665      2.067063
  N      -5.911454     -4.665724      3.256345
  Mo     -4.407602     -3.810638      4.265148
  N      -3.778449     -5.254664      5.724345
  C      -3.686976     -6.689741      5.430273
  C      -4.071490     -6.975152      3.986860
  H      -4.375659     -7.272719      6.062803
  H      -2.668676     -7.050209      5.655173
  H      -5.164101     -7.018865      3.908035
  H      -3.676262     -7.961298      3.676491
  H      -6.165881     -5.017186      1.165988
  H      -6.370545     -6.423535      2.212957
  H      -3.819768     -5.053952      1.239378
  H      -4.199764     -6.798012      1.274926
  H      -0.593154     -4.458054      2.670026
  H      -1.596497     -4.748987      1.249611
  H      -1.756762     -5.872392      4.066786
  H      -1.738345     -6.750091      2.521820
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  C      -0.677659     -2.095018      1.680811
  C      -0.184620     -0.856547      1.305031
  C       1.199994     -0.801071      0.790124
  O       1.951505     -1.754956      0.643580
  C       1.749940      0.561664      0.349133
  O       1.479107      1.156875     -0.646786
  F       2.718117      1.001561      1.207347
  C      -0.960814      0.327653      1.428128
  C      -2.240654      0.203625      1.912268
  C      -2.778410     -1.044028      2.320764
  C      -4.152832     -1.047618      2.658196
  O      -4.836514     -2.009786      3.101007
  C      -7.251292     -4.512720      3.686863
  C      -7.624121     -5.129226      4.888073
  C      -8.930866     -5.032716      5.368639
  C      -9.289576     -5.659025      6.655059
  O     -10.408419     -5.702887      7.140409
  C      -8.140593     -6.264933      7.482612
  O      -7.576795     -5.774417      8.406214
  F      -7.860754     -7.546937      7.065670
  C      -9.903845     -4.318088      4.639789
  C      -9.540899     -3.696157      3.459461
  C      -8.218394     -3.771774      2.974975
  C      -7.838952     -2.989145      1.774276
  O      -8.644788     -2.420248      1.052805
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  C      -3.740669     -5.845202      8.088132
  C      -3.712906     -5.457748      9.421394
  C      -3.911340     -6.448176     10.502556
  O      -3.927746     -6.176042     11.692629
  C      -4.157018     -7.922767     10.126634
  O      -5.005701     -8.367024      9.416196
  F      -3.312128     -8.734681     10.819990
  C      -3.465394     -4.112566      9.792255
  C      -3.213820     -3.202318      8.796755
  C      -3.279739     -3.552467      7.421388
  C      -2.764142     -2.595042      6.498360
  O      -2.813885     -2.665332      5.246006
  H      -0.012607     -2.944673      1.543092
  H      -0.569519      1.295469      1.116472
  H      -2.887366      1.081716      1.981797
  H      -4.704749     -0.105272      2.476175
  H      -6.857241     -5.675583      5.439015
  H     -10.919273     -4.250191      5.030845
  H     -10.258988     -3.105914      2.887966
  H      -6.745102     -2.915407      1.582040
  H      -3.936170     -6.886800      7.855548
  H      -3.445275     -3.840724     10.846443
  H      -2.950423     -2.172407      9.047348
  H      -2.214238     -1.739890      6.933593
  N      -5.457235     -3.177821      5.393024
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647314784057
  N      -2.467431     -3.437056      2.666918
  C      -1.640037     -4.596143      2.358291
  C      -2.145110     -5.846746      3.060048
  N      -3.605869     -5.886289      3.140410
  C      -4.292133     -5.836110      1.849276
  C      -5.765242     -5.499757      2.070193
  N      -5.917874     -4.657188      3.258530
  Mo     -4.428101     -3.797772      4.285336
  N      -3.780512     -5.240690      5.741499
  C      -3.696323     -6.676578      5.448594
  C      -4.078629     -6.962962      4.005096
  H      -4.390294     -7.252645      6.082002
  H      -2.680974     -7.043148      5.677026
  H      -5.171153     -7.008163      3.924647
  H      -3.682524     -7.948853      3.695399
  H      -6.157634     -5.002431      1.166826
  H      -6.374250     -6.410694      2.208649
  H      -3.819305     -5.044834      1.255644
  H      -4.202347     -6.788109      1.293031
  H      -0.589268     -4.466323      2.673806
  H      -1.607235     -4.755797      1.263299
  H      -1.767017     -5.854784      4.091150
  H      -1.745320     -6.747378      2.553938
  C      -1.977129     -2.266277      2.258609
  C      -0.671819     -2.103090      1.674955
  C      -0.180399     -0.867221      1.290624
  C       1.198655     -0.816043      0.759812
  O       1.943324     -1.773066      0.599968
  C       1.747072      0.544688      0.310619
  O       1.468447      1.138737     -0.683809
  F       2.727680      0.981152      1.156579
  C      -0.952730      0.319655      1.418752
  C      -2.227392      0.201620      1.916632
  C      -2.765141     -1.043868      2.333695
  C      -4.133862     -1.043741      2.684995
  O      -4.821043     -2.003478      3.132506
  C      -7.261197     -4.508469      3.678163
  C      -7.645215     -5.142763      4.866273
  C      -8.956693     -5.054357      5.335207
  C      -9.325639     -5.707012      6.605755
  O     -10.448201     -5.759835      7.082128
  C      -8.185894     -6.344031      7.421330
  O      -7.601721     -5.869832      8.341176
  F      -7.944509     -7.631168      7.000087
  C      -9.922457     -4.328093      4.608945
  C      -9.548135     -3.686201      3.442521
  C      -8.221125     -3.754387      2.969689
  C      -7.829327     -2.950951      1.786668
  O      -8.627268     -2.367790      1.067911
  C      -3.609456     -4.890230      7.039343
  C      -3.717764     -5.835953      8.102128
  C      -3.675813     -5.451295      9.435365
  C      -3.859536     -6.444537     10.516861
  O      -3.849878     -6.175689     11.707647
  C      -4.128542     -7.914679     10.138757
  O      -4.984861     -8.343177      9.427146
  F      -3.296335     -8.741230     10.828760
  C      -3.427866     -4.105662      9.805746
  C      -3.193993     -3.192372      8.808923
  C      -3.274899     -3.539241      7.433246
  C      -2.779877     -2.572830      6.505726
  O      -2.840757     -2.638769      5.251840
  H      -0.011705     -2.956340      1.534720
  H      -0.561877      1.285399      1.100117
  H      -2.870191      1.082194      1.991059
  H      -4.683392     -0.098550      2.512625
  H      -6.883826     -5.696179      5.418161
  H     -10.941823     -4.267707      4.991035
  H     -10.260875     -3.086586      2.874124
  H      -6.733838     -2.876909      1.604751
  H      -3.911747     -6.877848      7.869847
  H      -3.395046     -3.835929     10.860143
  H      -2.933675     -2.161255      9.058072
  H      -2.238831     -1.710845      6.938128
  N      -5.488649     -3.185576      5.413045
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647322365687
  N      -2.449833     -3.440825      2.662805
  C      -1.629719     -4.605206      2.355373
  C      -2.140305     -5.849436      3.066997
  N      -3.601670     -5.886305      3.145275
  C      -4.291279     -5.837031      1.855876
  C      -5.764967     -5.494886      2.078753
  N      -5.916162     -4.649755      3.267023
  Mo     -4.416094     -3.796112      4.282545
  N      -3.785163     -5.235435      5.752576
  C      -3.709876     -6.673425      5.461037
  C      -4.079226     -6.960314      4.012566
  H      -4.415190     -7.241710      6.089094
  H      -2.699898     -7.047322      5.702050
  H      -5.171444     -7.004514      3.925295
  H      -3.682173     -7.946634      3.705996
  H      -6.155458     -4.998760      1.173918
  H      -6.376628     -6.404141      2.217688
  H      -3.817404     -5.050203      1.256978
  H      -4.208733     -6.791274      1.301977
  H      -0.576335     -4.480035      2.664419
  H      -1.603787     -4.771214      1.261082
  H      -1.766252     -5.847653      4.099938
  H      -1.740492     -6.755372      2.570512
  C      -1.964769     -2.269642      2.249305
  C      -0.662299     -2.104853      1.659568
  C      -0.175139     -0.867689      1.274820
  C       1.201811     -0.813592      0.737681
  O       1.945078     -1.770257      0.570228
  C       1.744034      0.547646      0.281980
  O       1.451598      1.142762     -0.707934
  F       2.740902      0.979370      1.110746
  C      -0.948603      0.317698      1.407880
  C      -2.221375      0.199160      1.910213
  C      -2.757163     -1.047421      2.327628
  C      -4.125802     -1.046326      2.681575
  O      -4.814629     -2.006523      3.126694
  C      -7.258191     -4.496483      3.687820
  C      -7.648864     -5.147488      4.864542
  C      -8.963748     -5.067870      5.326694
  C      -9.340565     -5.751042      6.579441
  O     -10.462493     -5.794390      7.058660
  C      -8.212790     -6.435518      7.371600
  O      -7.613227     -6.001162      8.301513
  F      -8.004997     -7.715289      6.914180
  C      -9.924620     -4.327699      4.609521
  C      -9.542973     -3.666060      3.455905
  C      -8.214749     -3.729031      2.987574
  C      -7.818260     -2.903055      1.821149
  O      -8.613366     -2.309291      1.108146
  C      -3.613276     -4.881805      7.049324
  C      -3.721404     -5.825404      8.114692
  C      -3.676223     -5.439087      9.447045
  C      -3.854093     -6.432054     10.530513
  O      -3.836026     -6.162520     11.720848
  C      -4.123757     -7.901346     10.152787
  O      -4.983385     -8.329133      9.444583
  F      -3.287528     -8.729508     10.836833
  C      -3.429069     -4.093084      9.815733
  C      -3.198695     -3.180785      8.817400
  C      -3.279382     -3.529244      7.442358
  C      -2.785748     -2.562178      6.515494
  O      -2.841793     -2.631229      5.261883
  H      -0.002878     -2.958335      1.517405
  H      -0.559904      1.284261      1.089046
  H      -2.864029      1.079473      1.988048
  H      -4.673023     -0.099243      2.512697
  H      -6.891455     -5.711370      5.411027
  H     -10.946273     -4.275024      4.986626
  H     -10.252130     -3.055944      2.894199
  H      -6.722260     -2.825780      1.644719
  H      -3.917315     -6.867679      7.885250
  H      -3.393589     -3.822704     10.869852
  H      -2.941072     -2.148454      9.064610
  H      -2.249118     -1.697612      6.947504
  N      -5.474636     -3.180675      5.409336
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647405313936
  N      -2.460373     -3.441355      2.663144
  C      -1.637464     -4.604316      2.357602
  C      -2.149538     -5.850531      3.064363
  N      -3.611006     -5.883570      3.141669
  C      -4.295594     -5.832305      1.850033
  C      -5.770258     -5.492062      2.070812
  N      -5.923370     -4.649933      3.260544
  Mo     -4.426716     -3.795783      4.281414
  N      -3.791715     -5.237824      5.747725
  C      -3.717234     -6.674475      5.453207
  C      -4.091020     -6.958487      4.005796
  H      -4.420382     -7.243927      6.082636
  H      -2.706364     -7.048998      5.689498
  H      -5.183253     -7.001200      3.918596
  H      -3.694856     -7.944521      3.697134
  H      -6.161210     -4.995244      1.166228
  H      -6.381406     -6.402163      2.207785
  H      -3.819946     -5.043991      1.254600
  H      -4.209172     -6.785616      1.295052
  H      -0.585740     -4.478228      2.671548
  H      -1.605798     -4.768373      1.263123
  H      -1.775922     -5.854134      4.097490
  H      -1.752866     -6.756144      2.564905
  C      -1.970648     -2.270128      2.254487
  C      -0.665244     -2.107111      1.670567
  C      -0.173124     -0.870699      1.289671
  C       1.206267     -0.819507      0.758573
  O       1.953580     -1.775753      0.607595
  C       1.758176      0.542368      0.316633
  O       1.478080      1.144143     -0.672797
  F       2.743784      0.969059      1.161263
  C      -0.944204      0.316252      1.421194
  C      -2.219294      0.199767      1.918107
  C      -2.759164     -1.046446      2.331821
  C      -4.128545     -1.042594      2.681795
  O      -4.819166     -2.001659      3.125929
  C      -7.266634     -4.500675      3.679978
  C      -7.655267     -5.139919      4.863688
  C      -8.970238     -5.058035      5.325938
  C      -9.343462     -5.721480      6.590277
  O     -10.465085     -5.761919      7.070122
  C      -8.211157     -6.381697      7.396899
  O      -7.623228     -5.930010      8.325771
  F      -7.983872     -7.664438      6.955277
  C      -9.934335     -4.331023      4.599737
  C      -9.554865     -3.683637      3.437412
  C      -8.226682     -3.747760      2.969735
  C      -7.834200     -2.941535      1.788291
  O      -8.631415     -2.359040      1.068495
  C      -3.615754     -4.884764      7.044299
  C      -3.712649     -5.829392      8.109876
  C      -3.661268     -5.443085      9.442299
  C      -3.819888     -6.438628     10.526825
  O      -3.797712     -6.169589     11.717222
  C      -4.074032     -7.910861     10.151348
  O      -4.941845     -8.350584      9.461245
  F      -3.213026     -8.728492     10.818500
  C      -3.421219     -4.095775      9.810195
  C      -3.199820     -3.182125      8.810803
  C      -3.284363     -3.531385      7.436401
  C      -2.794657     -2.564019      6.509135
  O      -2.850825     -2.632679      5.255737
  H      -0.007465     -2.961950      1.529539
  H      -0.552074      1.282402      1.105256
  H      -2.860457      1.081198      1.994711
  H      -4.673981     -0.095018      2.509812
  H      -6.895099     -5.693785      5.416279
  H     -10.955891     -4.276510      4.976652
  H     -10.266402     -3.084412      2.867012
  H      -6.738143     -2.863755      1.610427
  H      -3.903651     -6.872721      7.881093
  H      -3.380914     -3.825657     10.864197
  H      -2.945334     -2.148849      9.057063
  H      -2.257711     -1.699256      6.940450
  N      -5.486025     -3.181719      5.408975
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647421390475
  N      -2.464844     -3.441370      2.665494
  C      -1.643054     -4.603790      2.356192
  C      -2.152568     -5.849668      3.064616
  N      -3.614318     -5.882844      3.144681
  C      -4.297847     -5.836391      1.852441
  C      -5.773611     -5.500265      2.072446
  N      -5.928977     -4.654497      3.259235
  Mo     -4.436171     -3.797543      4.284023
  N      -3.790627     -5.236352      5.748517
  C      -3.708539     -6.671990      5.454156
  C      -4.090313     -6.958190      4.010100
  H      -4.402896     -7.245760      6.089482
  H      -2.693447     -7.039716      5.682776
  H      -5.182732     -7.002720      3.927327
  H      -3.693348     -7.943590      3.700361
  H      -6.167802     -5.008733      1.166279
  H      -6.381653     -6.411968      2.213459
  H      -3.824167     -5.047780      1.255957
  H      -4.206713     -6.790611      1.299838
  H      -0.590183     -4.478380      2.666286
  H      -1.615332     -4.767646      1.261555
  H      -1.776592     -5.852754      4.096776
  H      -1.757487     -6.755718      2.564778
  C      -1.972364     -2.269879      2.261400
  C      -0.666300     -2.107505      1.678477
  C      -0.170755     -0.870992      1.302632
  C       1.209480     -0.821176      0.773633
  O       1.950155     -1.780362      0.609191
  C       1.757152      0.537894      0.317824
  O       1.463815      1.136060     -0.670006
  F       2.755421      0.966498      1.146306
  C      -0.939483      0.317193      1.437748
  C      -2.215141      0.201373      1.933174
  C      -2.757889     -1.045422      2.341958
  C      -4.127386     -1.040844      2.689286
  O      -4.820281     -2.000342      3.129047
  C      -7.273667     -4.503901      3.674627
  C      -7.667453     -5.139844      4.858286
  C      -8.983139     -5.051751      5.317441
  C      -9.361041     -5.711059      6.582210
  O     -10.483846     -5.747972      7.059756
  C      -8.232870     -6.374914      7.391416
  O      -7.635903     -5.920170      8.313050
  F      -8.021632     -7.664357      6.961948
  C      -9.943307     -4.323388      4.587259
  C      -9.558685     -3.680316      3.424302
  C      -8.229537     -3.750038      2.960247
  C      -7.831315     -2.950908      1.775968
  O      -8.624407     -2.365420      1.054054
  C      -3.612303     -4.882667      7.044572
  C      -3.702299     -5.828422      8.109347
  C      -3.645823     -5.443168      9.441984
  C      -3.794383     -6.440487     10.526316
  O      -3.766145     -6.172906     11.716977
  C      -4.047410     -7.912712     10.150669
  O      -4.922902     -8.353580      9.471208
  F      -3.174772     -8.729032     10.804195
  C      -3.408533     -4.095352      9.809939
  C      -3.195315     -3.179868      8.810294
  C      -3.284636     -3.528614      7.435990
  C      -2.803233     -2.559315      6.507531
  O      -2.863293     -2.627689      5.254576
  H      -0.010900     -2.963631      1.534351
  H      -0.545225      1.283658      1.125496
  H      -2.854837      1.083668      2.012063
  H      -4.671398     -0.092139      2.518941
  H      -6.910212     -5.694635      5.414305
  H     -10.965466     -4.264185      4.961777
  H     -10.266809     -3.080292      2.850477
  H      -6.734550     -2.881341      1.598174
  H      -3.892286     -6.871912      7.879815
  H      -3.364006     -3.826069     10.863999
  H      -2.943501     -2.145927      9.056379
  H      -2.268769     -1.692104      6.937335
  N      -5.498747     -3.189527      5.411994
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647455756945
  N      -2.463183     -3.442732      2.668075
  C      -1.645851     -4.607614      2.357541
  C      -2.157538     -5.849812      3.070624
  N      -3.619800     -5.880422      3.150825
  C      -4.301778     -5.837035      1.857429
  C      -5.777497     -5.501569      2.074276
  N      -5.934517     -4.653860      3.259209
  Mo     -4.443989     -3.794987      4.286252
  N      -3.793232     -5.229799      5.753364
  C      -3.713933     -6.666218      5.461355
  C      -4.096270     -6.954623      4.017947
  H      -4.409084     -7.236737      6.098815
  H      -2.699511     -7.035497      5.690352
  H      -5.188615     -6.999669      3.934953
  H      -3.698854     -7.940262      3.709558
  H      -6.171296     -5.012790      1.166514
  H      -6.384911     -6.413531      2.216457
  H      -3.827620     -5.049291      1.260210
  H      -4.209025     -6.792180      1.306738
  H      -0.591374     -4.485631      2.663581
  H      -1.622961     -4.773889      1.263159
  H      -1.781611     -5.849448      4.102753
  H      -1.764230     -6.758365      2.574014
  C      -1.970185     -2.272304      2.262872
  C      -0.664848     -2.111410      1.677523
  C      -0.168553     -0.875469      1.301483
  C       1.210754     -0.827021      0.769591
  O       1.952549     -1.786111      0.610003
  C       1.762818      0.532935      0.321551
  O       1.468536      1.139481     -0.660838
  F       2.765129      0.951750      1.150201
  C      -0.935670      0.313708      1.439132
  C      -2.210586      0.199356      1.936458
  C      -2.754679     -1.047141      2.345139
  C      -4.123572     -1.041363      2.693257
  O      -4.818716     -2.000710      3.131097
  C      -7.279963     -4.503181      3.671823
  C      -7.678555     -5.145378      4.850370
  C      -8.995606     -5.058020      5.305585
  C      -9.378245     -5.729002      6.562459
  O     -10.500433     -5.759871      7.042307
  C      -8.255870     -6.413379      7.362015
  O      -7.644367     -5.971713      8.280606
  F      -8.068683     -7.703673      6.925287
  C      -9.952198     -4.322960      4.577384
  C      -9.562787     -3.673257      3.419667
  C      -8.232276     -3.742731      2.959409
  C      -7.828152     -2.935730      1.782495
  O      -8.617594     -2.344693      1.061070
  C      -3.609131     -4.874977      7.047668
  C      -3.691402     -5.820645      8.113134
  C      -3.626945     -5.435244      9.445246
  C      -3.765800     -6.433042     10.530231
  O      -3.725705     -6.166458     11.720838
  C      -4.022391     -7.904583     10.155152
  O      -4.906745     -8.343589      9.485867
  F      -3.139569     -8.721595     10.793275
  C      -3.389900     -4.086832      9.811615
  C      -3.186090     -3.170870      8.810505
  C      -3.282917     -3.519900      7.436561
  C      -2.810563     -2.548531      6.505774
  O      -2.874180     -2.617027      5.252800
  H      -0.011577     -2.968971      1.532223
  H      -0.540726      1.279899      1.126992
  H      -2.848927      1.082505      2.016958
  H      -4.666432     -0.091597      2.525508
  H      -6.924266     -5.704832      5.406167
  H     -10.975497     -4.264720      4.948937
  H     -10.268008     -3.068060      2.847717
  H      -6.730669     -2.867982      1.608591
  H      -3.881278     -6.864451      7.884672
  H      -3.338976     -3.817436     10.865359
  H      -2.935637     -2.136182      9.054860
  H      -2.280703     -1.677593      6.933915
  N      -5.508883     -3.191505      5.414204
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647490806625
  N      -2.457831     -3.446332      2.675631
  C      -1.646821     -4.615687      2.367042
  C      -2.166401     -5.851601      3.085788
  N      -3.629946     -5.875687      3.161442
  C      -4.306322     -5.833557      1.864569
  C      -5.782306     -5.497569      2.074272
  N      -5.943481     -4.651135      3.259016
  Mo     -4.455591     -3.791190      4.289523
  N      -3.802857     -5.221371      5.763713
  C      -3.737446     -6.659494      5.474351
  C      -4.113422     -6.948024      4.028786
  H      -4.442733     -7.219729      6.109979
  H      -2.728535     -7.039638      5.709970
  H      -5.205199     -6.991538      3.939522
  H      -3.715605     -7.934378      3.723280
  H      -6.172213     -5.008963      1.164711
  H      -6.390667     -6.409391      2.213429
  H      -3.828840     -5.046805      1.268734
  H      -4.211623     -6.789194      1.315079
  H      -0.591009     -4.499247      2.670893
  H      -1.626761     -4.786374      1.273256
  H      -1.794318     -5.846132      4.119292
  H      -1.776453     -6.765357      2.596348
  C      -1.964966     -2.277069      2.268782
  C      -0.660479     -2.117164      1.680644
  C      -0.163843     -0.881548      1.305031
  C       1.214312     -0.834253      0.769629
  O       1.955528     -1.793855      0.610879
  C       1.768111      0.525627      0.323144
  O       1.464274      1.140171     -0.651362
  F       2.784849      0.932370      1.139910
  C      -0.929700      0.308424      1.446267
  C      -2.203865      0.195412      1.945272
  C      -2.749649     -1.051115      2.352981
  C      -4.118889     -1.043241      2.700133
  O      -4.817974     -2.002570      3.133728
  C      -7.290650     -4.500505      3.665167
  C      -7.698779     -5.148796      4.836873
  C      -9.019099     -5.061501      5.283036
  C      -9.412252     -5.743486      6.530514
  O     -10.534374     -5.761505      7.011472
  C      -8.303403     -6.464263      7.316373
  O      -7.674089     -6.049722      8.235660
  F      -8.154683     -7.754157      6.864414
  C      -9.968934     -4.319070      4.553627
  C      -9.570033     -3.663812      3.402193
  C      -8.236878     -3.734320      2.950482
  C      -7.822752     -2.922837      1.780010
  O      -8.605744     -2.327170      1.055426
  C      -3.607024     -4.865312      7.054988
  C      -3.669509     -5.811596      8.121967
  C      -3.589131     -5.425882      9.452966
  C      -3.699512     -6.426424     10.538650
  O      -3.637435     -6.162467     11.728943
  C      -3.952489     -7.898173     10.164521
  O      -4.855612     -8.341932      9.524156
  F      -3.038021     -8.709666     10.764158
  C      -3.359087     -4.075643      9.816866
  C      -3.175735     -3.158166      8.813216
  C      -3.284769     -3.507982      7.440210
  C      -2.827037     -2.532603      6.506331
  O      -2.893132     -2.601398      5.253132
  H      -0.009664     -2.976380      1.533871
  H      -0.534235      1.274551      1.134760
  H      -2.840727      1.079429      2.027755
  H      -4.659629     -0.091966      2.534823
  H      -6.949670     -5.712421      5.395542
  H     -10.994733     -4.261431      4.918230
  H     -10.270081     -3.054214      2.828544
  H      -6.723856     -2.857160      1.614487
  H      -3.853313     -6.857034      7.896009
  H      -3.296154     -3.806171     10.869918
  H      -2.930575     -2.121483      9.054511
  H      -2.306044     -1.655319      6.932477
  N      -5.523835     -3.192876      5.416777
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647519154956
  N      -2.458083     -3.451593      2.680180
  C      -1.654259     -4.624004      2.368739
  C      -2.175596     -5.853308      3.096835
  N      -3.640344     -5.873649      3.173917
  C      -4.314369     -5.840900      1.874923
  C      -5.791925     -5.508084      2.079686
  N      -5.957868     -4.655609      3.259471
  Mo     -4.474500     -3.791668      4.293378
  N      -3.805268     -5.210478      5.772683
  C      -3.739884     -6.649512      5.488279
  C      -4.122392     -6.943231      4.045955
  H      -4.441283     -7.207199      6.130513
  H      -2.729458     -7.028564      5.719426
  H      -5.214315     -6.986261      3.959935
  H      -3.725360     -7.930403      3.742209
  H      -6.182857     -5.026615      1.166700
  H      -6.397728     -6.421078      2.223434
  H      -3.838144     -5.055783      1.275948
  H      -4.214071     -6.799159      1.331151
  H      -0.595456     -4.512090      2.663883
  H      -1.643345     -4.799426      1.275533
  H      -1.802248     -5.840696      4.129718
  H      -1.790037     -6.772248      2.613964
  C      -1.962895     -2.283486      2.275684
  C      -0.659131     -2.125120      1.685013
  C      -0.158526     -0.889575      1.315195
  C       1.218611     -0.845559      0.776752
  O       1.955716     -1.807631      0.613848
  C       1.777265      0.513594      0.333577
  O       1.456831      1.143464     -0.625829
  F       2.819209      0.897846      1.128650
  C      -0.920207      0.302585      1.465316
  C      -2.194136      0.191087      1.964648
  C      -2.744386     -1.056070      2.365686
  C      -4.113845     -1.045942      2.709376
  O      -4.818811     -2.005471      3.134682
  C      -7.307084     -4.500144      3.657466
  C      -7.729089     -5.161026      4.816800
  C      -9.051540     -5.067927      5.254943
  C      -9.459806     -5.768305      6.486980
  O     -10.581942     -5.772616      6.968527
  C      -8.368119     -6.533417      7.254463
  O      -7.708665     -6.148139      8.165502
  F      -8.279042     -7.826335      6.796590
  C      -9.989385     -4.305677      4.530403
  C      -9.576811     -3.639311      3.390065
  C      -8.241604     -3.717005      2.945751
  C      -7.812615     -2.898370      1.785530
  O      -8.585342     -2.285300      1.064486
  C      -3.598648     -4.849266      7.060617
  C      -3.639423     -5.794946      8.129438
  C      -3.543661     -5.407478      9.458655
  C      -3.625459     -6.410834     10.543830
  O      -3.542348     -6.150983     11.733806
  C      -3.875157     -7.882087     10.168536
  O      -4.800623     -8.330267      9.564085
  F      -2.926179     -8.688092     10.720717
  C      -3.323054     -4.054867      9.819212
  C      -3.163854     -3.136072      8.812594
  C      -3.285912     -3.488308      7.441102
  C      -2.850087     -2.508958      6.501931
  O      -2.923915     -2.581915      5.249699
  H      -0.012783     -2.986753      1.532075
  H      -0.521977      1.269085      1.158882
  H      -2.827909      1.076835      2.052286
  H      -4.651070     -0.092143      2.547907
  H      -6.988970     -5.738713      5.373357
  H     -11.017065     -4.243747      4.888909
  H     -10.267604     -3.016552      2.819318
  H      -6.712538     -2.846413      1.623858
  H      -3.816112     -6.842388      7.906426
  H      -3.248364     -3.784249     10.871197
  H      -2.927302     -2.096525      9.050128
  H      -2.337795     -1.623667      6.922082
  N      -5.549400     -3.203356      5.419505
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647552676072
  N      -2.462633     -3.457395      2.680638
  C      -1.659604     -4.628528      2.362718
  C      -2.174917     -5.858443      3.093886
  N      -3.639840     -5.882134      3.177694
  C      -4.317915     -5.856142      1.880166
  C      -5.795627     -5.529023      2.088240
  N      -5.960494     -4.669998      3.263170
  Mo     -4.476228     -3.803474      4.293667
  N      -3.795050     -5.212336      5.775621
  C      -3.724665     -6.651857      5.494503
  C      -4.114528     -6.951155      4.055246
  H      -4.418799     -7.211162      6.143012
  H      -2.710931     -7.025981      5.719194
  H      -5.206735     -6.997135      3.975024
  H      -3.715791     -7.937830      3.752185
  H      -6.192914     -5.054964      1.174152
  H      -6.396894     -6.443789      2.240472
  H      -3.847070     -5.069665      1.278564
  H      -4.213525     -6.814931      1.338286
  H      -0.598995     -4.515884      2.650878
  H      -1.655765     -4.803146      1.269323
  H      -1.796446     -5.844014      4.124775
  H      -1.790720     -6.777483      2.610255
  C      -1.969827     -2.286685      2.280187
  C      -0.667423     -2.123618      1.688249
  C      -0.167367     -0.885374      1.326180
  C       1.209131     -0.838603      0.786572
  O       1.944190     -1.800671      0.614306
  C       1.766674      0.522151      0.346404
  O       1.428527      1.165072     -0.598292
  F       2.829113      0.890440      1.121141
  C      -0.929442      0.305514      1.485694
  C      -2.203422      0.189353      1.983918
  C      -2.752951     -1.060712      2.376342
  C      -4.124057     -1.054842      2.715129
  O      -4.828216     -2.018704      3.131439
  C      -7.310788     -4.503220      3.654040
  C      -7.747740     -5.162639      4.808798
  C      -9.071576     -5.053195      5.239448
  C      -9.498812     -5.753073      6.464891
  O     -10.622987     -5.739505      6.941599
  C      -8.426708     -6.546182      7.230853
  O      -7.741832     -6.173358      8.128371
  F      -8.392383     -7.847597      6.791129
  C      -9.995216     -4.276751      4.511623
  C      -9.568136     -3.613823      3.374970
  C      -8.231628     -3.707873      2.937942
  C      -7.787115     -2.896677      1.778321
  O      -8.548888     -2.272203      1.055334
  C      -3.584125     -4.847918      7.062431
  C      -3.617292     -5.791824      8.133214
  C      -3.516577     -5.401347      9.461348
  C      -3.590855     -6.403559     10.547792
  O      -3.503124     -6.143469     11.737444
  C      -3.840514     -7.875209     10.174868
  O      -4.775124     -8.325964      9.586900
  F      -2.878818     -8.678530     10.709191
  C      -3.299555     -4.047404      9.818322
  C      -3.148650     -3.129941      8.809151
  C      -3.275255     -3.485507      7.439020
  C      -2.847148     -2.506396      6.495606
  O      -2.924945     -2.582016      5.244204
  H      -0.020782     -2.983707      1.527863
  H      -0.531924      1.274336      1.186161
  H      -2.838078      1.073954      2.076894
  H      -4.662858     -0.101455      2.556416
  H      -7.018344     -5.750740      5.368826
  H     -11.024024     -4.202355      4.864492
  H     -10.247941     -2.982027      2.800976
  H      -6.686288     -2.862392      1.618680
  H      -3.791776     -6.840252      7.912798
  H      -3.221539     -3.774228     10.869428
  H      -2.915260     -2.089019      9.043753
  H      -2.337166     -1.618123      6.912566
  N      -5.548423     -3.213732      5.422115
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647587059548
  N      -2.466814     -3.462813      2.685955
  C      -1.663996     -4.632463      2.364227
  C      -2.174712     -5.861571      3.099168
  N      -3.639487     -5.888530      3.185779
  C      -4.319056     -5.867825      1.888736
  C      -5.797249     -5.544643      2.096093
  N      -5.964641     -4.682368      3.268042
  Mo     -4.484021     -3.813260      4.300367
  N      -3.782346     -5.212826      5.781262
  C      -3.712202     -6.653110      5.503861
  C      -4.109412     -6.956108      4.067203
  H      -4.403672     -7.211220      6.156078
  H      -2.697422     -7.027050      5.724090
  H      -5.202242     -7.000802      3.992915
  H      -3.712881     -7.943703      3.764418
  H      -6.195433     -5.072603      1.181284
  H      -6.396594     -6.460259      2.251196
  H      -3.851526     -5.080434      1.285642
  H      -4.211044     -6.827233      1.348803
  H      -0.601941     -4.518005      2.646515
  H      -1.665287     -4.807715      1.270853
  H      -1.793827     -5.843445      4.129048
  H      -1.790276     -6.781454      2.617383
  C      -1.976615     -2.291156      2.286855
  C      -0.676404     -2.124717      1.691401
  C      -0.177360     -0.884452      1.334034
  C       1.198027     -0.836489      0.792046
  O       1.929797     -1.799417      0.610118
  C       1.754259      0.524561      0.350560
  O       1.398904      1.177074     -0.581377
  F       2.836093      0.880072      1.103290
  C      -0.939640      0.305552      1.501898
  C      -2.212572      0.185794      2.001925
  C      -2.760811     -1.066286      2.389234
  C      -4.131785     -1.063846      2.727782
  O      -4.835671     -2.030765      3.138416
  C      -7.317509     -4.505730      3.647885
  C      -7.773241     -5.170665      4.792417
  C      -9.099094     -5.044975      5.213279
  C      -9.552442     -5.749013      6.427153
  O     -10.681802     -5.720809      6.890333
  C      -8.503703     -6.569067      7.196954
  O      -7.794534     -6.206536      8.079816
  F      -8.528405     -7.879750      6.785792
  C     -10.004187     -4.247154      4.485220
  C      -9.558954     -3.581523      3.357588
  C      -8.220855     -3.692652      2.929679
  C      -7.757928     -2.887556      1.773055
  O      -8.506038     -2.243921      1.052492
  C      -3.564799     -4.845281      7.066298
  C      -3.581924     -5.788157      8.138956
  C      -3.476264     -5.394632      9.465952
  C      -3.538921     -6.396840     10.552882
  O      -3.445831     -6.137255     11.742205
  C      -3.787990     -7.869369     10.182315
  O      -4.728346     -8.323516      9.606574
  F      -2.818057     -8.670013     10.706888
  C      -3.268400     -4.038674      9.819851
  C      -3.130994     -3.121735      8.808303
  C      -3.264017     -3.480333      7.439868
  C      -2.849454     -2.499568      6.491386
  O      -2.935844     -2.579206      5.241210
  H      -0.029011     -2.983004      1.524063
  H      -0.543100      1.275996      1.206906
  H      -2.847455      1.069684      2.100256
  H      -4.671767     -0.110557      2.572899
  H      -7.057111     -5.773534      5.353655
  H     -11.034512     -4.159861      4.830712
  H     -10.225062     -2.936201      2.782619
  H      -6.657057     -2.877723      1.612728
  H      -3.746795     -6.838710      7.921305
  H      -3.186451     -3.762953     10.870014
  H      -2.904009     -2.078708      9.039847
  H      -2.341752     -1.607377      6.902655
  N      -5.557879     -3.227670      5.429604
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647604140152
  N      -2.470741     -3.464045      2.683809
  C      -1.663080     -4.631464      2.363884
  C      -2.171844     -5.864316      3.094768
  N      -3.635787     -5.893076      3.182728
  C      -4.317022     -5.870993      1.886956
  C      -5.794589     -5.545838      2.096456
  N      -5.959827     -4.683340      3.268922
  Mo     -4.477471     -3.816490      4.299799
  N      -3.777582     -5.217565      5.779385
  C      -3.708325     -6.657881      5.501755
  C      -4.105889     -6.960014      4.064551
  H      -4.401182     -7.215936      6.152687
  H      -2.694007     -7.032470      5.722797
  H      -5.199071     -7.002046      3.992043
  H      -3.712141     -7.948593      3.761374
  H      -6.192458     -5.071974      1.182448
  H      -6.395390     -6.460411      2.251742
  H      -3.849366     -5.083985      1.283477
  H      -4.211447     -6.830472      1.346564
  H      -0.602600     -4.513375      2.650416
  H      -1.659449     -4.804443      1.270171
  H      -1.789893     -5.849882      4.124341
  H      -1.786162     -6.781644      2.608979
  C      -1.982072     -2.291032      2.285197
  C      -0.680930     -2.122573      1.692856
  C      -0.183749     -0.881608      1.334556
  C       1.193493     -0.831569      0.797419
  O       1.929083     -1.792913      0.622556
  C       1.747209      0.529619      0.353191
  O       1.396911      1.174992     -0.585647
  F       2.820063      0.895132      1.113729
  C      -0.948855      0.306836      1.498063
  C      -2.222376      0.185313      1.996527
  C      -2.768513     -1.066964      2.385319
  C      -4.139454     -1.065678      2.725293
  O      -4.840973     -2.032861      3.138678
  C      -7.312684     -4.504530      3.648763
  C      -7.769455     -5.167094      4.794389
  C      -9.095535     -5.038825      5.214649
  C      -9.553222     -5.738845      6.429719
  O     -10.685116     -5.710322      6.886339
  C      -8.506296     -6.551345      7.209967
  O      -7.802565     -6.179958      8.093455
  F      -8.525367     -7.865446      6.809203
  C      -9.998829     -4.240675      4.484937
  C      -9.552459     -3.577220      3.356610
  C      -8.214608     -3.691257      2.928995
  C      -7.751646     -2.890503      1.769344
  O      -8.499477     -2.245970      1.049240
  C      -3.562742     -4.850621      7.064990
  C      -3.582450     -5.793123      8.137904
  C      -3.480674     -5.398833      9.465188
  C      -3.547900     -6.399900     10.553097
  O      -3.462803     -6.137962     11.742477
  C      -3.790704     -7.874329     10.185030
  O      -4.724315     -8.333640      9.602716
  F      -2.823529     -8.670476     10.721925
  C      -3.272875     -4.042885      9.818929
  C      -3.130330     -3.126841      8.807242
  C      -3.260224     -3.486093      7.438977
  C      -2.840041     -2.507414      6.490416
  O      -2.926048     -2.587945      5.240329
  H      -0.030167     -2.978836      1.528448
  H      -0.553690      1.277578      1.202124
  H      -2.859043      1.068159      2.092600
  H      -4.680671     -0.113219      2.569377
  H      -7.054450     -5.770195      5.356364
  H     -11.029071     -4.151069      4.830120
  H     -10.217406     -2.931702      2.780535
  H      -6.651304     -2.884952      1.605824
  H      -3.745768     -6.844024      7.920454
  H      -3.193718     -3.766597     10.869162
  H      -2.901581     -2.084167      9.038663
  H      -2.328267     -1.617457      6.901364
  N      -5.548830     -3.225976      5.429060
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647622079610
  N      -2.474563     -3.466993      2.687004
  C      -1.665870     -4.634046      2.367819
  C      -2.174077     -5.867273      3.099007
  N      -3.637558     -5.895670      3.188535
  C      -4.318695     -5.876186      1.892913
  C      -5.795776     -5.549500      2.100709
  N      -5.961127     -4.684211      3.271205
  Mo     -4.481331     -3.817788      4.305285
  N      -3.774538     -5.216294      5.784474
  C      -3.707768     -6.657146      5.508796
  C      -4.107950     -6.960473      4.072487
  H      -4.401587     -7.212490      6.161242
  H      -2.693970     -7.032884      5.730030
  H      -5.201527     -6.999282      4.002977
  H      -3.717778     -7.950593      3.769749
  H      -6.192608     -5.076955      1.185546
  H      -6.397697     -6.463029      2.257645
  H      -3.850359     -5.091293      1.287286
  H      -4.214059     -6.837330      1.355152
  H      -0.605645     -4.515109      2.654774
  H      -1.661659     -4.807115      1.274141
  H      -1.790820     -5.853371      4.128093
  H      -1.788611     -6.784111      2.612040
  C      -1.986356     -2.293864      2.288156
  C      -0.684950     -2.125128      1.696418
  C      -0.188782     -0.884215      1.336628
  C       1.189181     -0.833707      0.800897
  O       1.927609     -1.794104      0.633261
  C       1.741722      0.527243      0.354372
  O       1.391291      1.169982     -0.586246
  F       2.813522      0.895600      1.114748
  C      -0.954880      0.303713      1.497903
  C      -2.228052      0.182281      1.997176
  C      -2.773480     -1.069829      2.387820
  C      -4.143238     -1.068122      2.730722
  O      -4.844963     -2.034914      3.145564
  C      -7.315175     -4.501145      3.645367
  C      -7.780557     -5.168027      4.784742
  C      -9.108260     -5.036095      5.198888
  C      -9.577726     -5.744913      6.404634
  O     -10.712101     -5.711517      6.854909
  C      -8.541861     -6.572607      7.183104
  O      -7.824637     -6.207938      8.058702
  F      -8.589213     -7.888415      6.792390
  C     -10.003605     -4.228470      4.470121
  C      -9.548383     -3.560041      3.348100
  C      -8.209390     -3.679212      2.925786
  C      -7.738294     -2.877652      1.769847
  O      -8.479808     -2.221601      1.053580
  C      -3.556223     -4.848330      7.068536
  C      -3.567939     -5.790346      8.141860
  C      -3.460854     -5.395283      9.468482
  C      -3.518270     -6.396561     10.556744
  O      -3.428988     -6.133864     11.745686
  C      -3.754767     -7.872368     10.190501
  O      -4.688831     -8.337200      9.613201
  F      -2.779743     -8.662558     10.721979
  C      -3.255840     -4.038587      9.821065
  C      -3.120575     -3.122510      8.808307
  C      -3.255473     -3.482720      7.440895
  C      -2.841594     -2.503546      6.490088
  O      -2.932529     -2.585639      5.240320
  H      -0.033070     -2.980841      1.533833
  H      -0.560515      1.274278      1.200164
  H      -2.865007      1.065002      2.092399
  H      -4.684182     -0.115278      2.576485
  H      -7.071449     -5.777511      5.347385
  H     -11.035143     -4.136292      4.810739
  H     -10.207271     -2.907727      2.772750
  H      -6.638357     -2.884073      1.604429
  H      -3.727773     -6.842106      7.925652
  H      -3.172136     -3.761882     10.870823
  H      -2.893286     -2.079127      9.038001
  H      -2.330906     -1.611708      6.898207
  N      -5.554669     -3.229452      5.433681
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647636847978
  N      -2.478778     -3.468716      2.690214
  C      -1.668074     -4.635356      2.373908
  C      -2.176435     -5.869396      3.104350
  N      -3.639551     -5.897588      3.193590
  C      -4.319915     -5.879315      1.897762
  C      -5.796686     -5.549860      2.103611
  N      -5.962359     -4.682522      3.272911
  Mo     -4.484027     -3.817765      4.309874
  N      -3.773785     -5.215331      5.789134
  C      -3.710570     -6.656759      5.514646
  C      -4.111338     -6.960478      4.078648
  H      -4.406654     -7.208823      6.167528
  H      -2.697930     -7.034464      5.737653
  H      -5.205069     -6.996961      4.010177
  H      -3.723575     -7.951739      3.776519
  H      -6.191999     -5.078342      1.187281
  H      -6.400242     -6.462120      2.261484
  H      -3.849759     -5.096922      1.290407
  H      -4.217125     -6.841963      1.362164
  H      -0.608785     -4.515272      2.663706
  H      -1.661082     -4.808709      1.280348
  H      -1.793090     -5.856858      4.133441
  H      -1.790085     -6.785084      2.615854
  C      -1.990298     -2.295931      2.290655
  C      -0.688016     -2.127979      1.700510
  C      -0.192520     -0.887784      1.337711
  C       1.186290     -0.837123      0.803646
  O       1.927274     -1.796610      0.642818
  C       1.737427      0.523448      0.354300
  O       1.389642      1.161356     -0.590525
  F       2.804424      0.897799      1.118544
  C      -0.959483      0.299944      1.494579
  C      -2.232561      0.179524      1.994260
  C      -2.777573     -1.071864      2.388303
  C      -4.146220     -1.068960      2.734172
  O      -4.848149     -2.034602      3.151889
  C      -7.317427     -4.496711      3.642440
  C      -7.789610     -5.166403      4.777106
  C      -9.118973     -5.032800      5.185443
  C      -9.597246     -5.750344      6.382541
  O     -10.733601     -5.714380      6.828093
  C      -8.570166     -6.590539      7.158321
  O      -7.838737     -6.230316      8.024301
  F      -8.644398     -7.907645      6.779887
  C     -10.008784     -4.219490      4.456414
  C      -9.546473     -3.547354      3.339328
  C      -8.206151     -3.669285      2.922224
  C      -7.728484     -2.865889      1.770147
  O      -8.464824     -2.200053      1.057565
  C      -3.551319     -4.846764      7.072084
  C      -3.555822     -5.788850      8.145422
  C      -3.443514     -5.393890      9.471625
  C      -3.491029     -6.395241     10.560269
  O      -3.398662     -6.131143     11.748746
  C      -3.718414     -7.872737     10.195609
  O      -4.649382     -8.344052      9.618385
  F      -2.737967     -8.655670     10.727108
  C      -3.241181     -4.036650      9.823934
  C      -3.112904     -3.119958      8.810820
  C      -3.252320     -3.480174      7.443814
  C      -2.844558     -2.499803      6.492295
  O      -2.938636     -2.582891      5.242807
  H      -0.035351     -2.983788      1.541869
  H      -0.565751      1.269846      1.193679
  H      -2.869740      1.062302      2.087302
  H      -4.686842     -0.115847      2.580693
  H      -7.084907     -5.779190      5.341828
  H     -11.041766     -4.126801      4.792434
  H     -10.200886     -2.890582      2.763981
  H      -6.628959     -2.881417      1.603255
  H      -3.713676     -6.841008      7.929985
  H      -3.153629     -3.760203     10.873419
  H      -2.887468     -2.075971      9.039577
  H      -2.335888     -1.606090      6.898756
  N      -5.559229     -3.231161      5.437138
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647649716585
  N      -2.484637     -3.470895      2.694803
  C      -1.671371     -4.636908      2.381932
  C      -2.179557     -5.871873      3.111467
  N      -3.642558     -5.900159      3.200111
  C      -4.321200     -5.883644      1.903419
  C      -5.797474     -5.551763      2.106480
  N      -5.963544     -4.682540      3.274262
  Mo     -4.487520     -3.818868      4.315429
  N      -3.773249     -5.214889      5.795000
  C      -3.713437     -6.656801      5.521779
  C      -4.115817     -6.961203      4.086593
  H      -4.410155     -7.205860      6.176521
  H      -2.701403     -7.036218      5.744628
  H      -5.209655     -6.995915      4.018833
  H      -3.729781     -7.953444      3.785309
  H      -6.191656     -5.082058      1.188745
  H      -6.402365     -6.462972      2.265641
  H      -3.848939     -5.103712      1.294621
  H      -4.219303     -6.847765      1.370205
  H      -0.613246     -4.515139      2.675149
  H      -1.660786     -4.810987      1.288550
  H      -1.796108     -5.860817      4.140484
  H      -1.792652     -6.786615      2.621606
  C      -1.995921     -2.298149      2.294677
  C      -0.692837     -2.130446      1.705926
  C      -0.197944     -0.890830      1.340675
  C       1.181411     -0.839896      0.807763
  O       1.923820     -1.798778      0.650371
  C       1.730976      0.520356      0.355567
  O       1.384508      1.154388     -0.592295
  F       2.794900      0.899528      1.121877
  C      -0.965764      0.296683      1.494007
  C      -2.238914      0.176720      1.993541
  C      -2.783362     -1.074219      2.390219
  C      -4.151509     -1.070107      2.737990
  O      -4.853326     -2.034522      3.158554
  C      -7.319873     -4.492999      3.637742
  C      -7.801033     -5.165000      4.767090
  C      -9.132237     -5.027623      5.168374
  C      -9.621649     -5.752986      6.356080
  O     -10.760414     -5.713409      6.795695
  C      -8.605975     -6.607990      7.129798
  O      -7.855533     -6.253090      7.982069
  F      -8.717566     -7.926988      6.772137
  C     -10.014744     -4.207474      4.438125
  C      -9.543223     -3.532753      3.326356
  C      -8.201368     -3.659246      2.915830
  C      -7.714642     -2.854498      1.768360
  O      -8.443847     -2.177838      1.058655
  C      -3.544611     -4.845480      7.076431
  C      -3.540185     -5.787698      8.149761
  C      -3.420460     -5.392701      9.475300
  C      -3.455904     -6.393866     10.564593
  O      -3.357611     -6.128409     11.752360
  C      -3.676148     -7.872717     10.201914
  O      -4.606504     -8.349796      9.628301
  F      -2.689149     -8.649397     10.729900
  C      -3.220529     -4.034853      9.826841
  C      -3.101271     -3.117588      8.813144
  C      -3.247046     -3.477993      7.446736
  C      -2.847069     -2.496224      6.493851
  O      -2.944869     -2.579790      5.244541
  H      -0.039588     -2.986315      1.550345
  H      -0.572704      1.266145      1.190757
  H      -2.876563      1.059337      2.084785
  H      -4.692050     -0.117032      2.584014
  H      -7.102124     -5.782089      5.334361
  H     -11.049371     -4.112738      4.768383
  H     -10.191666     -2.870891      2.750078
  H      -6.615374     -2.880223      1.601708
  H      -3.696829     -6.840206      7.935295
  H      -3.127666     -3.758479     10.875866
  H      -2.877867     -2.072905      9.040683
  H      -2.341148     -1.600069      6.898359
  N      -5.564564     -3.233876      5.441661
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647673372935
  N      -2.493272     -3.474116      2.701575
  C      -1.675178     -4.638328      2.393878
  C      -2.181064     -5.874838      3.123030
  N      -3.644053     -5.906314      3.209954
  C      -4.320715     -5.893264      1.912250
  C      -5.796904     -5.558605      2.111784
  N      -5.964586     -4.686142      3.277120
  Mo     -4.490625     -3.824334      4.322878
  N      -3.769791     -5.216419      5.803670
  C      -3.712995     -6.659098      5.532618
  C      -4.117609     -6.965230      4.098673
  H      -4.409413     -7.205000      6.190203
  H      -2.701237     -7.039849      5.754522
  H      -5.211535     -6.999048      4.031552
  H      -3.732431     -7.958304      3.798808
  H      -6.189667     -5.091853      1.191965
  H      -6.403120     -6.468699      2.273046
  H      -3.846294     -5.116487      1.301176
  H      -4.219318     -6.859388      1.382538
  H      -0.618737     -4.512479      2.691454
  H      -1.659604     -4.814186      1.300868
  H      -1.798045     -5.864076      4.152103
  H      -1.791380     -6.788044      2.632468
  C      -2.005766     -2.301052      2.300043
  C      -0.702376     -2.132506      1.712050
  C      -0.209326     -0.893144      1.343594
  C       1.169992     -0.840882      0.810732
  O       1.913468     -1.798902      0.653382
  C       1.717414      0.519771      0.357226
  O       1.371951      1.151126     -0.592718
  F       2.778427      0.903029      1.125870
  C      -0.979023      0.293538      1.493492
  C      -2.252057      0.172641      1.993187
  C      -2.794387     -1.078200      2.393119
  C      -4.162234     -1.073931      2.743276
  O      -4.862706     -2.037279      3.167611
  C      -7.322721     -4.488760      3.630518
  C      -7.819465     -5.162628      4.751950
  C      -9.153062     -5.015303      5.142363
  C      -9.662643     -5.748716      6.316234
  O     -10.805101     -5.699438      6.745997
  C      -8.667784     -6.626715      7.090039
  O      -7.878991     -6.279028      7.910933
  F      -8.851640     -7.948096      6.782626
  C     -10.021870     -4.182793      4.409460
  C      -9.534733     -3.506764      3.305348
  C      -8.190927     -3.643999      2.905089
  C      -7.688477     -2.840259      1.763567
  O      -8.404968     -2.146276      1.057604
  C      -3.532340     -4.845235      7.083190
  C      -3.514202     -5.788239      8.156104
  C      -3.384509     -5.393724      9.480842
  C      -3.402779     -6.394754     10.570744
  O      -3.295809     -6.127534     11.757417
  C      -3.614525     -7.875390     10.210602
  O      -4.542743     -8.359305      9.639066
  F      -2.621812     -8.644747     10.737687
  C      -3.189425     -4.034926      9.831822
  C      -3.084450     -3.116272      8.817989
  C      -3.238931     -3.476337      7.452258
  C      -2.851924     -2.491391      6.498120
  O      -2.954538     -2.575951      5.249388
  H      -0.047958     -2.987954      1.559181
  H      -0.587731      1.262900      1.187678
  H      -2.891204      1.054358      2.082595
  H      -4.703715     -0.121573      2.588058
  H      -7.131074     -5.787516      5.323464
  H     -11.058634     -4.081429      4.730829
  H     -10.172313     -2.836319      2.726860
  H      -6.590015     -2.884443      1.597184
  H      -3.667588     -6.841297      7.942402
  H      -3.089333     -3.758917     10.880249
  H      -2.865309     -2.070467      9.044499
  H      -2.351509     -1.591017      6.900105
  N      -5.570400     -3.241921      5.447653
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647697760069
  N      -2.504657     -3.475980      2.709186
  C      -1.678377     -4.636738      2.408965
  C      -2.179839     -5.876570      3.136054
  N      -3.642869     -5.914350      3.219779
  C      -4.316689     -5.904454      1.920609
  C      -5.792645     -5.566096      2.115950
  N      -5.961879     -4.691028      3.279126
  Mo     -4.489808     -3.832078      4.330900
  N      -3.764439     -5.221126      5.812342
  C      -3.709087     -6.664375      5.542607
  C      -4.116073     -6.971924      4.110110
  H      -4.403132     -7.208668      6.203698
  H      -2.696778     -7.045315      5.761867
  H      -5.209983     -7.006432      4.042557
  H      -3.730133     -7.965224      3.811570
  H      -6.183769     -5.102279      1.193997
  H      -6.400538     -6.474980      2.278910
  H      -3.839237     -5.131098      1.307619
  H      -4.215792     -6.872474      1.394315
  H      -0.624843     -4.503984      2.713877
  H      -1.654341     -4.814510      1.316447
  H      -1.797897     -5.866904      4.165357
  H      -1.785082     -6.786765      2.643889
  C      -2.019242     -2.302299      2.304957
  C      -0.715677     -2.132343      1.717623
  C      -0.225647     -0.893345      1.343889
  C       1.153008     -0.838810      0.810047
  O       1.897211     -1.795625      0.648895
  C       1.697590      0.522973      0.356874
  O       1.357794      1.149869     -0.597894
  F       2.749873      0.913867      1.134479
  C      -0.998275      0.292004      1.488461
  C      -2.271222      0.169272      1.988272
  C      -2.809665     -1.081353      2.393544
  C      -4.177484     -1.077572      2.746885
  O      -4.874398     -2.039194      3.178454
  C      -7.321581     -4.485090      3.622243
  C      -7.834096     -5.158888      4.736786
  C      -9.169376     -4.998891      5.117387
  C      -9.699947     -5.737394      6.278135
  O     -10.845708     -5.675762      6.698570
  C      -8.728542     -6.638172      7.054387
  O      -7.884907     -6.297588      7.823401
  F      -9.009156     -7.956457      6.831830
  C     -10.023809     -4.153957      4.381213
  C      -9.521159     -3.479613      3.283317
  C      -8.176010     -3.629824      2.892552
  C      -7.657438     -2.828944      1.756145
  O      -8.360068     -2.116649      1.054431
  C      -3.517769     -4.848411      7.090326
  C      -3.488889     -5.792765      8.162350
  C      -3.349952     -5.399633      9.486501
  C      -3.356057     -6.399773     10.577478
  O      -3.239513     -6.130172     11.762736
  C      -3.567082     -7.881318     10.220316
  O      -4.491722     -8.366272      9.643555
  F      -2.578949     -8.649541     10.756018
  C      -3.156747     -4.040346      9.837403
  C      -3.064370     -3.120023      8.824234
  C      -3.227582     -3.478661      7.458769
  C      -2.853692     -2.489640      6.504543
  O      -2.960440     -2.573744      5.256262
  H      -0.059492     -2.987053      1.568383
  H      -0.609793      1.261251      1.178737
  H      -2.913166      1.049273      2.074498
  H      -4.721312     -0.127094      2.587808
  H      -7.156576     -5.791198      5.312877
  H     -11.062208     -4.043928      4.694210
  H     -10.147400     -2.800925      2.702014
  H      -6.560388     -2.893555      1.589075
  H      -3.641940     -6.845716      7.948797
  H      -3.049972     -3.765234     10.885373
  H      -2.848524     -2.073518      9.050636
  H      -2.359705     -1.585094      6.905154
  N      -5.572291     -3.251839      5.454045
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647698716914
  N      -2.499452     -3.467398      2.708223
  C      -1.670210     -4.627392      2.413230
  C      -2.173725     -5.867958      3.136774
  N      -3.637386     -5.907442      3.212992
  C      -4.306917     -5.891120      1.911600
  C      -5.783139     -5.550491      2.104468
  N      -5.953868     -4.684095      3.273317
  Mo     -4.480287     -3.826595      4.326424
  N      -3.769308     -5.224204      5.806203
  C      -3.713369     -6.666339      5.532150
  C      -4.113707     -6.969064      4.096867
  H      -4.408791     -7.214106      6.188742
  H      -2.701765     -7.048753      5.752368
  H      -5.206940     -7.006578      4.021447
  H      -3.723488     -7.960393      3.797191
  H      -6.169718     -5.078955      1.184503
  H      -6.393361     -6.459418      2.258154
  H      -3.826036     -5.115824      1.303752
  H      -4.205764     -6.856798      1.381358
  H      -0.618724     -4.492428      2.724572
  H      -1.638758     -4.805908      1.320963
  H      -1.797216     -5.858741      4.168022
  H      -1.776176     -6.777951      2.646531
  C      -2.014137     -2.294980      2.299620
  C      -0.711109     -2.127023      1.710658
  C      -0.221488     -0.889426      1.331337
  C       1.155218     -0.836470      0.793688
  O       1.896110     -1.794482      0.623674
  C       1.701445      0.525043      0.342418
  O       1.373246      1.147817     -0.618944
  F       2.742603      0.921606      1.132987
  C      -0.994136      0.296532      1.471802
  C      -2.267175      0.174766      1.972104
  C      -2.804237     -1.074250      2.382798
  C      -4.172842     -1.069892      2.736556
  O      -4.867174     -2.028868      3.175595
  C      -7.312110     -4.487696      3.625950
  C      -7.808262     -5.158560      4.750243
  C      -9.141305     -5.008247      5.142636
  C      -9.653551     -5.735112      6.318893
  O     -10.797262     -5.683315      6.745773
  C      -8.663560     -6.606526      7.107372
  O      -7.832551     -6.239565      7.877941
  F      -8.911051     -7.933675      6.895564
  C     -10.010495     -4.177537      4.406764
  C      -9.524650     -3.507452      3.299114
  C      -8.181270     -3.646374      2.897728
  C      -7.678711     -2.845194      1.754664
  O      -8.394136     -2.150890      1.047888
  C      -3.528189     -4.854910      7.086660
  C      -3.514539     -5.801771      8.157034
  C      -3.384639     -5.412139      9.482939
  C      -3.412403     -6.413214     10.572928
  O      -3.299143     -6.146475     11.758982
  C      -3.647607     -7.890662     10.212056
  O      -4.573175     -8.357115      9.621720
  F      -2.683649     -8.678712     10.762721
  C      -3.183061     -4.054770      9.837246
  C      -3.076811     -3.133250      8.826871
  C      -3.232925     -3.487811      7.459223
  C      -2.848628     -2.497815      6.509842
  O      -2.948227     -2.576988      5.260406
  H      -0.055356     -2.982416      1.563109
  H      -0.605873      1.264754      1.158547
  H      -2.910093      1.054409      2.054727
  H      -4.717897     -0.121187      2.570471
  H      -7.119040     -5.781167      5.322199
  H     -11.046857     -4.073757      4.728530
  H     -10.162868     -2.839709      2.718099
  H      -6.580289     -2.890346      1.588730
  H      -3.674146     -6.852925      7.939883
  H      -3.082952     -3.782030     10.886512
  H      -2.856193     -2.088659      9.057461
  H      -2.353357     -1.596470      6.915979
  N      -5.562737     -3.245209      5.449166
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647721311268
  N      -2.499519     -3.471229      2.720189
  C      -1.670676     -4.632559      2.430861
  C      -2.179011     -5.869430      3.157931
  N      -3.643270     -5.906323      3.228540
  C      -4.306868     -5.893145      1.924155
  C      -5.783758     -5.549338      2.108570
  N      -5.960212     -4.683092      3.276737
  Mo     -4.490943     -3.826745      4.336376
  N      -3.772373     -5.219673      5.819562
  C      -3.728156     -6.662884      5.549378
  C      -4.125128     -6.965611      4.112509
  H      -4.432665     -7.201783      6.204228
  H      -2.721331     -7.054626      5.775011
  H      -5.218291     -6.998382      4.034008
  H      -3.738121     -7.958700      3.814703
  H      -6.162714     -5.075420      1.186585
  H      -6.397559     -6.456619      2.257516
  H      -3.821980     -5.120742      1.315973
  H      -4.204782     -6.860870      1.397830
  H      -0.619672     -4.497208      2.743983
  H      -1.636229     -4.815328      1.339324
  H      -1.807081     -5.855626      4.190786
  H      -1.781798     -6.782844      2.673960
  C      -2.015957     -2.300228      2.307507
  C      -0.714010     -2.133340      1.715892
  C      -0.225787     -0.896548      1.332189
  C       1.150035     -0.845372      0.792009
  O       1.890651     -1.804158      0.624828
  C       1.696499      0.514457      0.335697
  O       1.362147      1.137744     -0.623344
  F       2.745757      0.907878      1.116559
  C      -0.999007      0.289403      1.471038
  C      -2.271062      0.168644      1.974008
  C      -2.807421     -1.079429      2.388900
  C      -4.175059     -1.073299      2.745914
  O      -4.871225     -2.030574      3.187301
  C      -7.320676     -4.481016      3.618355
  C      -7.831844     -5.161508      4.729915
  C      -9.168426     -5.008631      5.109735
  C      -9.702896     -5.748684      6.268351
  O     -10.851674     -5.690390      6.680235
  C      -8.732738     -6.642294      7.057357
  O      -7.886005     -6.293801      7.819476
  F      -9.016717     -7.963486      6.855466
  C     -10.024274     -4.163692      4.374682
  C      -9.523082     -3.483163      3.280294
  C      -8.176923     -3.626290      2.890455
  C      -7.660029     -2.821368      1.756379
  O      -8.364886     -2.114973      1.050963
  C      -3.521875     -4.848741      7.096346
  C      -3.484933     -5.796726      8.165769
  C      -3.340954     -5.407322      9.490156
  C      -3.337525     -6.412463     10.576895
  O      -3.207307     -6.149417     11.761959
  C      -3.561628     -7.891093     10.214391
  O      -4.497346     -8.367223      9.648529
  F      -2.572016     -8.669342     10.733999
  C      -3.151373     -4.048217      9.844338
  C      -3.066606     -3.124680      8.833669
  C      -3.233499     -3.479461      7.467468
  C      -2.865290     -2.485579      6.515750
  O      -2.970390     -2.566869      5.266685
  H      -0.058017     -2.988848      1.569587
  H      -0.611646      1.256894      1.154571
  H      -2.913823      1.048506      2.055397
  H      -4.718599     -0.123726      2.580366
  H      -7.152463     -5.794775      5.301219
  H     -11.063406     -4.057666      4.686640
  H     -10.151560     -2.805750      2.699879
  H      -6.561649     -2.877800      1.594842
  H      -3.632339     -6.849930      7.948914
  H      -3.040116     -3.775812     10.892575
  H      -2.853228     -2.078210      9.062629
  H      -2.377476     -1.578734      6.918387
  N      -5.579536     -3.252788      5.456880
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647737612181
  N      -2.502369     -3.474178      2.719766
  C      -1.673832     -4.634575      2.425011
  C      -2.178097     -5.872692      3.152918
  N      -3.642013     -5.911065      3.229976
  C      -4.309428     -5.902356      1.927436
  C      -5.785966     -5.560935      2.114757
  N      -5.959891     -4.689209      3.279243
  Mo     -4.489461     -3.833024      4.337500
  N      -3.764911     -5.221360      5.820730
  C      -3.715808     -6.664643      5.551833
  C      -4.118279     -6.970306      4.117060
  H      -4.415354     -7.205422      6.210472
  H      -2.706413     -7.051808      5.773685
  H      -5.211933     -7.003735      4.044568
  H      -3.731821     -7.963227      3.818253
  H      -6.168816     -5.091922      1.191858
  H      -6.397808     -6.468483      2.270006
  H      -3.828006     -5.130139      1.316200
  H      -4.206407     -6.871223      1.403373
  H      -0.621585     -4.499089      2.733551
  H      -1.644383     -4.815332      1.333028
  H      -1.801879     -5.859184      4.184223
  H      -1.781940     -6.785102      2.666219
  C      -2.020754     -2.301720      2.308236
  C      -0.719364     -2.132555      1.716437
  C      -0.232438     -0.894411      1.335094
  C       1.143944     -0.841235      0.796092
  O       1.886931     -1.798791      0.632552
  C       1.690047      0.519690      0.342322
  O       1.352337      1.146716     -0.613156
  F       2.742187      0.909652      1.120662
  C      -1.006699      0.290336      1.476166
  C      -2.278426      0.167581      1.979538
  C      -2.813641     -1.081633      2.392256
  C      -4.180728     -1.078037      2.749889
  O      -4.875837     -2.037377      3.188811
  C      -7.320238     -4.480336      3.617932
  C      -7.837642     -5.159553      4.727276
  C      -9.174400     -5.000375      5.103522
  C      -9.717040     -5.741758      6.257374
  O     -10.866730     -5.677339      6.665967
  C      -8.754883     -6.644581      7.044704
  O      -7.895318     -6.304468      7.796125
  F      -9.063704     -7.961988      6.856134
  C     -10.023670     -4.149774      4.367732
  C      -9.516369     -3.470014      3.275632
  C      -8.170074     -3.620166      2.888828
  C      -7.647500     -2.819294      1.754509
  O      -8.347749     -2.108210      1.049122
  C      -3.515009     -4.849250      7.097264
  C      -3.479387     -5.795499      8.167859
  C      -3.334556     -5.404475      9.491751
  C      -3.331244     -6.408990     10.578914
  O      -3.201131     -6.145525     11.763945
  C      -3.552562     -7.888287     10.217379
  O      -4.489973     -8.366513      9.656101
  F      -2.557726     -8.663701     10.730981
  C      -3.143805     -4.045113      9.843983
  C      -3.059013     -3.122917      8.831934
  C      -3.226654     -3.479583      7.466464
  C      -2.860043     -2.486666      6.512888
  O      -2.967747     -2.569010      5.264285
  H      -0.062080     -2.986752      1.568689
  H      -0.620271      1.258739      1.161373
  H      -2.921845      1.046817      2.062575
  H      -4.725100     -0.128394      2.587445
  H      -7.163339     -5.797290      5.300176
  H     -11.063058     -4.039018      4.677277
  H     -10.139939     -2.788583      2.694690
  H      -6.549871     -2.884387      1.591845
  H      -3.628323     -6.848785      7.952224
  H      -3.031420     -3.771395     10.891771
  H      -2.845170     -2.076178      9.059264
  H      -2.371571     -1.579595      6.914328
  N      -5.576353     -3.259065      5.459887
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6486.658625802998
  N      -2.506816     -3.475119      2.726940
  C      -1.675086     -4.633589      2.432578
  C      -2.177057     -5.873178      3.159391
  N      -3.641027     -5.913837      3.236458
  C      -4.306566     -5.907966      1.932807
  C      -5.782900     -5.566235      2.116601
  N      -5.957994     -4.692815      3.279340
  Mo     -4.489386     -3.839035      4.343367
  N      -3.758966     -5.224782      5.825709
  C      -3.710291     -6.668156      5.557346
  C      -4.115340     -6.974095      4.123299
  H      -4.408875     -7.208229      6.217576
  H      -2.700588     -7.055468      5.777427
  H      -5.209273     -7.007258      4.052983
  H      -3.729269     -7.966649      3.823041
  H      -6.163701     -5.098305      1.192282
  H      -6.395573     -6.473163      2.272129
  H      -3.824479     -5.136700      1.320916
  H      -4.201916     -6.877999      1.411302
  H      -0.623596     -4.495431      2.742417
  H      -1.643832     -4.813589      1.340542
  H      -1.801026     -5.859838      4.190715
  H      -1.779497     -6.784378      2.671688
  C      -2.028039     -2.302263      2.312599
  C      -0.727512     -2.131919      1.719556
  C      -0.243443     -0.893521      1.334942
  C       1.132597     -0.838833      0.795202
  O       1.877226     -1.795359      0.632998
  C       1.677315      0.522605      0.341406
  O       1.340704      1.148630     -0.615096
  F       2.726767      0.914923      1.122216
  C      -1.019850      0.289817      1.473645
  C      -2.290734      0.165722      1.978989
  C      -2.822938     -1.083388      2.395374
  C      -4.188796     -1.081688      2.756790
  O      -4.881472     -2.041022      3.199259
  C      -7.319187     -4.478612      3.611838
  C      -7.844783     -5.157025      4.717954
  C      -9.182352     -4.990889      5.088811
  C      -9.738371     -5.731703      6.236780
  O     -10.890742     -5.658881      6.636479
  C      -8.789000     -6.641769      7.030995
  O      -7.900726     -6.307377      7.751264
  F      -9.148249     -7.952037      6.895161
  C     -10.023203     -4.134000      4.350563
  C      -9.508120     -3.455740      3.261346
  C      -8.161204     -3.613429      2.879662
  C      -7.631026     -2.817643      1.745398
  O      -8.324846     -2.100638      1.039552
  C      -3.505992     -4.852626      7.101534
  C      -3.466214     -5.798785      8.172074
  C      -3.316925     -5.407870      9.495537
  C      -3.307869     -6.413094     10.581898
  O      -3.171500     -6.150485     11.766429
  C      -3.530428     -7.892442     10.220860
  O      -4.472149     -8.370494      9.666708
  F      -2.530533     -8.667350     10.724805
  C      -3.126594     -4.048336      9.847167
  C      -3.047127     -3.125891      8.834922
  C      -3.218986     -3.482527      7.469982
  C      -2.859034     -2.487640      6.515826
  O      -2.970223     -2.569075      5.267475
  H      -0.068219     -2.984764      1.573364
  H      -0.635595      1.258200      1.156059
  H      -2.935744      1.043933      2.060650
  H      -4.734751     -0.132873      2.594579
  H      -7.176430     -5.798709      5.293282
  H     -11.063251     -4.017825      4.655919
  H     -10.125749     -2.770460      2.678643
  H      -6.534201     -2.893252      1.582403
  H      -3.614870     -6.852078      7.956452
  H      -3.010302     -3.774547     10.894520
  H      -2.834413     -2.078789      9.061632
  H      -2.373125     -1.579048      6.917000
  N      -5.578086     -3.269387      5.466455
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647758168136
  N      -2.506428     -3.474944      2.727385
  C      -1.674317     -4.633167      2.432955
  C      -2.175634     -5.872856      3.160089
  N      -3.639583     -5.913900      3.237477
  C      -4.305306     -5.908311      1.933892
  C      -5.781671     -5.566918      2.117675
  N      -5.956771     -4.693496      3.280331
  Mo     -4.488381     -3.839276      4.344390
  N      -3.757351     -5.224668      5.826742
  C      -3.708210     -6.668028      5.558474
  C      -4.113376     -6.974188      4.124494
  H      -4.406618     -7.208305      6.218757
  H      -2.698376     -7.055003      5.778540
  H      -5.207329     -7.007678      4.054402
  H      -3.727067     -7.966646      3.824239
  H      -6.162569     -5.099131      1.193321
  H      -6.394214     -6.473915      2.273302
  H      -3.823477     -5.136955      1.321923
  H      -4.200444     -6.878359      1.412458
  H      -0.622773     -4.494545      2.742428
  H      -1.643335     -4.813333      1.340937
  H      -1.799362     -5.859300      4.191323
  H      -1.777914     -6.783987      2.672391
  C      -2.028174     -2.302040      2.312539
  C      -0.728020     -2.131494      1.718784
  C      -0.244596     -0.893141      1.333413
  C       1.131097     -0.838417      0.792790
  O       1.875793     -1.794895      0.630586
  C       1.675266      0.522867      0.337905
  O       1.337908      1.148287     -0.618739
  F       2.725149      0.915799      1.117788
  C      -1.021289      0.290007      1.472076
  C      -2.291902      0.165773      1.978147
  C      -2.823511     -1.083347      2.395255
  C      -4.189178     -1.082047      2.757233
  O      -4.881258     -2.041609      3.200120
  C      -7.318044     -4.479228      3.612977
  C      -7.844619     -5.156944      4.719194
  C      -9.182490     -4.989645      5.089200
  C      -9.740583     -5.729106      6.237073
  O     -10.893336     -5.654545      6.635297
  C      -8.793471     -6.639745      7.033103
  O      -7.905754     -6.305989      7.754289
  F      -9.154348     -7.949681      6.897858
  C     -10.022291     -4.132527      4.350106
  C      -9.506245     -3.455119      3.260943
  C      -8.159289     -3.613861      2.880103
  C      -7.628134     -2.818827      1.745781
  O      -8.321228     -2.101694      1.039351
  C      -3.504682     -4.852375      7.102398
  C      -3.464935     -5.798793      8.172393
  C      -3.317626     -5.408636      9.496268
  C      -3.310466     -6.415550     10.581237
  O      -3.178136     -6.155353     11.766758
  C      -3.530195     -7.894177     10.214890
  O      -4.469097     -8.371202      9.654313
  F      -2.532321     -8.671194     10.721173
  C      -3.128674     -4.049072      9.848675
  C      -3.048340     -3.126141      8.836631
  C      -3.218694     -3.482324      7.471189
  C      -2.858814     -2.487228      6.517006
  O      -2.969584     -2.568615      5.268389
  H      -0.068526     -2.984167      1.572494
  H      -0.637489      1.258365      1.153855
  H      -2.937130      1.043826      2.059752
  H      -4.735577     -0.133499      2.594947
  H      -7.176974     -5.798775      5.295154
  H     -11.062425     -4.015513      4.654859
  H     -10.123113     -2.769682      2.677625
  H      -6.531278     -2.895135      1.583317
  H      -3.613026     -6.851985      7.956040
  H      -3.013971     -3.775552     10.896273
  H      -2.836520     -2.078991      9.063971
  H      -2.373582     -1.578363      6.918389
  N      -5.577122     -3.269861      5.467620
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647756273038
  N      -2.512623     -3.473906      2.740122
  C      -1.672096     -4.625916      2.441694
  C      -2.164673     -5.871157      3.164072
  N      -3.628625     -5.920704      3.243220
  C      -4.292173     -5.920148      1.938022
  C      -5.768405     -5.580833      2.116695
  N      -5.944744     -4.704281      3.276113
  Mo     -4.477344     -3.858010      4.351788
  N      -3.737237     -5.239885      5.829847
  C      -3.682248     -6.682559      5.559555
  C      -4.093471     -6.987492      4.126851
  H      -4.375477     -7.226763      6.221811
  H      -2.669778     -7.065513      5.774183
  H      -5.188201     -7.023312      4.063526
  H      -3.705582     -7.976928      3.819698
  H      -6.146147     -5.115205      1.189898
  H      -6.381232     -6.487371      2.273210
  H      -3.811504     -5.148540      1.325441
  H      -4.182447     -6.891714      1.420711
  H      -0.621863     -4.480432      2.752114
  H      -1.639286     -4.800889      1.348964
  H      -1.788340     -5.858583      4.195220
  H      -1.762015     -6.777603      2.672080
  C      -2.043676     -2.299103      2.317700
  C      -0.746907     -2.123906      1.719072
  C      -0.272764     -0.883800      1.326013
  C       1.101313     -0.822890      0.781934
  O       1.850915     -1.775660      0.620113
  C       1.640657      0.541272      0.330436
  O       1.308482      1.164867     -0.629121
  F       2.679684      0.941361      1.121333
  C      -1.055917      0.294544      1.460458
  C      -2.323676      0.165100      1.972894
  C      -2.845466     -1.084492      2.398895
  C      -4.207694     -1.091473      2.770929
  O      -4.890696     -2.052996      3.222313
  C      -7.306242     -4.479749      3.600730
  C      -7.841571     -5.148986      4.708296
  C      -9.177912     -4.964515      5.076163
  C      -9.755535     -5.688600      6.224759
  O     -10.910868     -5.590800      6.610394
  C      -8.828270     -6.600321      7.042640
  O      -7.869129     -6.278292      7.672450
  F      -9.303745     -7.878627      7.063032
  C     -10.005473     -4.100045      4.331446
  C      -9.482140     -3.433442      3.239475
  C      -8.136344     -3.609387      2.861384
  C      -7.597361     -2.830081      1.720246
  O      -8.282748     -2.108335      1.010731
  C      -3.488025     -4.869307      7.107288
  C      -3.455575     -5.814858      8.178009
  C      -3.311151     -5.424820      9.502487
  C      -3.312903     -6.431765     10.586997
  O      -3.179039     -6.172217     11.772448
  C      -3.543630     -7.909776     10.222984
  O      -4.486960     -8.378900      9.663776
  F      -2.550912     -8.692910     10.727443
  C      -3.117707     -4.065958      9.854101
  C      -3.033786     -3.143586      8.842017
  C      -3.203066     -3.499338      7.476654
  C      -2.847941     -2.500262      6.524230
  O      -2.961818     -2.576778      5.276048
  H      -0.081052     -2.971758      1.574995
  H      -0.678974      1.263433      1.135346
  H      -2.973960      1.039692      2.051985
  H      -4.760178     -0.146059      2.609921
  H      -7.181671     -5.794437      5.288822
  H     -11.044381     -3.969067      4.634873
  H     -10.091114     -2.743971      2.652800
  H      -6.502455     -2.923922      1.553938
  H      -3.607900     -6.867005      7.960479
  H      -3.003392     -3.791990     10.901685
  H      -2.821444     -2.096605      9.069616
  H      -2.365527     -1.591466      6.929422
  N      -5.568195     -3.298338      5.478802
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647786746137
  N      -2.501475     -3.472424      2.725528
  C      -1.665635     -4.627194      2.426386
  C      -2.161923     -5.869763      3.150913
  N      -3.626402     -5.916362      3.228232
  C      -4.291969     -5.911390      1.924082
  C      -5.769811     -5.573862      2.108516
  N      -5.945877     -4.700762      3.271432
  Mo     -4.473798     -3.852122      4.336548
  N      -3.747274     -5.238680      5.817697
  C      -3.689285     -6.680812      5.545245
  C      -4.094997     -6.983207      4.110540
  H      -4.383883     -7.228508      6.203076
  H      -2.676962     -7.062596      5.763073
  H      -5.189248     -7.019255      4.042904
  H      -3.705852     -7.972469      3.804133
  H      -6.150607     -5.106619      1.183795
  H      -6.380368     -6.482186      2.263880
  H      -3.812934     -5.137797      1.312757
  H      -4.183600     -6.880979      1.402764
  H      -0.614085     -4.485449      2.734366
  H      -1.635537     -4.803640      1.333751
  H      -1.786935     -5.855132      4.182586
  H      -1.761099     -6.779018      2.662599
  C      -2.029050     -2.297578      2.307971
  C      -0.731282     -2.122710      1.710879
  C      -0.253347     -0.881962      1.324814
  C       1.121061     -0.821805      0.781559
  O       1.868200     -1.775673      0.614938
  C       1.661000      0.542374      0.330700
  O       1.324888      1.168515     -0.625886
  F       2.706362      0.937857      1.115436
  C      -1.033709      0.297977      1.465130
  C      -2.302919      0.169107      1.973788
  C      -2.828730     -1.081692      2.392048
  C      -4.193947     -1.086862      2.756297
  O      -4.880388     -2.049112      3.200821
  C      -7.305090     -4.485640      3.608572
  C      -7.822016     -5.154514      4.724665
  C      -9.154914     -4.979666      5.108264
  C      -9.705730     -5.695220      6.275901
  O     -10.854468     -5.603185      6.681352
  C      -8.754760     -6.591649      7.086141
  O      -7.828146     -6.249890      7.752627
  F      -9.167379     -7.892871      7.046074
  C      -9.999535     -4.126631      4.369215
  C      -9.493933     -3.460392      3.268159
  C      -8.150693     -3.624445      2.876189
  C      -7.627744     -2.835099      1.734151
  O      -8.326303     -2.124943      1.026069
  C      -3.509231     -4.867643      7.097728
  C      -3.486592     -5.813130      8.168844
  C      -3.354382     -5.422273      9.494355
  C      -3.366895     -6.427430     10.580492
  O      -3.244367     -6.165795     11.766597
  C      -3.597593     -7.905084     10.217749
  O      -4.539329     -8.375712      9.657961
  F      -2.607629     -8.687660     10.729106
  C      -3.162711     -4.063799      9.847579
  C      -3.067701     -3.141807      8.836272
  C      -3.224781     -3.497853      7.469846
  C      -2.855679     -2.501302      6.520342
  O      -2.959895     -2.578718      5.271892
  H      -0.068049     -2.972059      1.562637
  H      -0.653843      1.267651      1.145954
  H      -2.951215      1.044847      2.056131
  H      -4.744223     -0.140414      2.593984
  H      -7.149354     -5.792736      5.297805
  H     -11.035634     -4.002558      4.684714
  H     -10.115120     -2.777958      2.685928
  H      -6.531022     -2.908050      1.567461
  H      -3.636913     -6.865638      7.950894
  H      -3.058540     -3.789689     10.896189
  H      -2.855407     -2.095234      9.065755
  H      -2.369913     -1.595363      6.927833
  N      -5.563202     -3.286726      5.461990
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647782273004
  N      -2.507772     -3.475245      2.734004
  C      -1.671671     -4.632140      2.445438
  C      -2.173064     -5.871770      3.172565
  N      -3.637727     -5.914832      3.243397
  C      -4.297947     -5.909275      1.936797
  C      -5.774721     -5.564615      2.114862
  N      -5.953176     -4.692952      3.278073
  Mo     -4.487521     -3.842952      4.348905
  N      -3.756020     -5.228569      5.831988
  C      -3.711937     -6.671991      5.563738
  C      -4.116208     -6.974928      4.128979
  H      -4.413089     -7.209966      6.222979
  H      -2.703819     -7.063100      5.784741
  H      -5.210028     -7.004970      4.056639
  H      -3.731670     -7.967901      3.827958
  H      -6.151281     -5.096219      1.188998
  H      -6.389310     -6.470850      2.267759
  H      -3.811978     -5.140569      1.325033
  H      -4.193471     -6.880418      1.417346
  H      -0.621819     -4.489671      2.759308
  H      -1.634708     -4.814892      1.353982
  H      -1.800975     -5.856075      4.205155
  H      -1.772666     -6.783514      2.688330
  C      -2.031194     -2.302817      2.315743
  C      -0.732304     -2.132220      1.718826
  C      -0.251334     -0.894372      1.328750
  C       1.122449     -0.839046      0.783522
  O       1.866374     -1.795305      0.616597
  C       1.662432      0.522058      0.323345
  O       1.324799      1.141728     -0.636912
  F       2.710541      0.921688      1.102535
  C      -1.029006      0.288336      1.466326
  C      -2.298539      0.163888      1.975114
  C      -2.827453     -1.084986      2.396666
  C      -4.193274     -1.082461      2.761895
  O      -4.883739     -2.040180      3.210071
  C      -7.314772     -4.476079      3.606166
  C      -7.846554     -5.159292      4.706351
  C      -9.184388     -4.988620      5.075395
  C      -9.753234     -5.731526      6.217001
  O     -10.907665     -5.647996      6.608393
  C      -8.819081     -6.654698      7.016797
  O      -7.880889     -6.335226      7.679279
  F      -9.253801     -7.946378      6.967816
  C     -10.018872     -4.122992      4.339301
  C      -9.497319     -3.441679      3.254877
  C      -8.150332     -3.603432      2.875852
  C      -7.613072     -2.802865      1.748009
  O      -8.299789     -2.072871      1.048729
  C      -3.502867     -4.855346      7.107015
  C      -3.455750     -5.802552      8.176184
  C      -3.306407     -5.412529      9.499768
  C      -3.289909     -6.419084     10.584904
  O      -3.153784     -6.157692     11.769775
  C      -3.508058     -7.897892     10.220827
  O      -4.446708     -8.377848      9.662601
  F      -2.509611     -8.672491     10.729729
  C      -3.123242     -4.052639      9.853286
  C      -3.049613     -3.128463      8.841839
  C      -3.221098     -3.484187      7.476571
  C      -2.866422     -2.486005      6.523326
  O      -2.977950     -2.565581      5.274734
  H      -0.072283     -2.984636      1.572799
  H      -0.647304      1.256296      1.144451
  H      -2.944668      1.041292      2.056170
  H      -4.740166     -0.134606      2.597184
  H      -7.182535     -5.807383      5.277774
  H     -11.059269     -4.003850      4.641989
  H     -10.110269     -2.751014      2.673505
  H      -6.517163     -2.887491      1.583403
  H      -3.598668     -6.856659      7.959717
  H      -3.007647     -3.779491     10.900847
  H      -2.841833     -2.080628      9.069750
  H      -2.384895     -1.575322      6.925057
  N      -5.580634     -3.277508      5.470091
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647805232797
  N      -2.504668     -3.472818      2.731506
  C      -1.669023     -4.628707      2.436559
  C      -2.168060     -5.869995      3.161689
  N      -3.632556     -5.914233      3.235795
  C      -4.294779     -5.908253      1.929954
  C      -5.771661     -5.567299      2.110136
  N      -5.948802     -4.695481      3.273271
  Mo     -4.481027     -3.846946      4.343470
  N      -3.750255     -5.233344      5.824348
  C      -3.700373     -6.676143      5.553881
  C      -4.106034     -6.978218      4.119161
  H      -4.398966     -7.218321      6.212260
  H      -2.690521     -7.063374      5.773522
  H      -5.200129     -7.010790      4.049961
  H      -3.719688     -7.969230      3.814551
  H      -6.149867     -5.099224      1.184785
  H      -6.384310     -6.474557      2.263913
  H      -3.811775     -5.136764      1.319240
  H      -4.188071     -6.878369      1.409156
  H      -0.618187     -4.487187      2.747254
  H      -1.636046     -4.807304      1.344340
  H      -1.794521     -5.855452      4.193833
  H      -1.767644     -6.780233      2.674785
  C      -2.029916     -2.299483      2.313216
  C      -0.731751     -2.127412      1.715699
  C      -0.252256     -0.888353      1.326980
  C       1.121876     -0.830924      0.782594
  O       1.867744     -1.785960      0.617394
  C       1.661433      0.531451      0.325703
  O       1.324819      1.152954     -0.633708
  F       2.707092      0.930786      1.108192
  C      -1.030948      0.293165      1.465732
  C      -2.299964      0.167159      1.975499
  C      -2.827392     -1.082410      2.396143
  C      -4.192308     -1.083762      2.762085
  O      -4.880634     -2.043986      3.208481
  C      -7.309340     -4.480715      3.606414
  C      -7.832285     -5.156798      4.715387
  C      -9.167502     -4.985090      5.092778
  C      -9.726788     -5.714135      6.248115
  O     -10.878007     -5.624871      6.647199
  C      -8.784034     -6.624627      7.052609
  O      -7.839497     -6.296826      7.701345
  F      -9.222613     -7.916438      7.028620
  C     -10.008352     -4.127069      4.355047
  C      -9.496442     -3.453742      3.261213
  C      -8.151372     -3.615536      2.874803
  C      -7.623173     -2.822073      1.738003
  O      -8.317031     -2.103136      1.034216
  C      -3.505334     -4.861900      7.101928
  C      -3.471870     -5.807984      8.172211
  C      -3.331717     -5.417363      9.496813
  C      -3.332205     -6.423145     10.582503
  O      -3.203989     -6.161742     11.768268
  C      -3.557529     -7.901256     10.219109
  O      -4.497802     -8.375751      9.659380
  F      -2.563623     -8.680250     10.729023
  C      -3.143134     -4.058284      9.850012
  C      -3.057147     -3.135520      8.838283
  C      -3.221292     -3.491577      7.472441
  C      -2.858441     -2.494340      6.520809
  O      -2.967026     -2.571658      5.272114
  H      -0.070248     -2.978423      1.568878
  H      -0.650112      1.261737      1.144488
  H      -2.946795      1.043992      2.057373
  H      -4.741043     -0.136512      2.599854
  H      -7.162949     -5.798732      5.287835
  H     -11.046528     -4.006359      4.664815
  H     -10.114910     -2.768649      2.679191
  H      -6.527103     -2.901108      1.570665
  H      -3.619322     -6.861247      7.955241
  H      -3.033752     -3.784486     10.898108
  H      -2.846039     -2.088476      9.066744
  H      -2.373810     -1.586765      6.925999
  N      -5.572026     -3.282196      5.467502
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647809142036
  N      -2.503723     -3.473110      2.728835
  C      -1.668110     -4.628660      2.432235
  C      -2.165904     -5.870403      3.157448
  N      -3.630342     -5.915426      3.232923
  C      -4.293952     -5.910029      1.927778
  C      -5.771078     -5.569928      2.109597
  N      -5.947593     -4.697155      3.272302
  Mo     -4.478369     -3.849130      4.340534
  N      -3.748015     -5.234819      5.821806
  C      -3.695589     -6.677494      5.551102
  C      -4.102194     -6.979809      4.116678
  H      -4.392661     -7.221332      6.209677
  H      -2.684829     -7.062823      5.769915
  H      -5.196382     -7.012733      4.048824
  H      -3.715694     -7.970545      3.811435
  H      -6.150662     -5.102828      1.184330
  H      -6.382849     -6.477533      2.264830
  H      -3.812142     -5.138212      1.316511
  H      -4.187068     -6.880108      1.406970
  H      -0.616927     -4.487064      2.741635
  H      -1.636508     -4.806577      1.339867
  H      -1.791494     -5.855707      4.189281
  H      -1.765461     -6.780381      2.670096
  C      -2.029397     -2.299122      2.311566
  C      -0.731361     -2.126106      1.714169
  C      -0.252026     -0.886439      1.327051
  C       1.122213     -0.828168      0.783000
  O       1.868734     -1.782757      0.618179
  C       1.661342      0.534710      0.327021
  O       1.323716      1.157138     -0.631450
  F       2.707696      0.933343      1.108853
  C      -1.030899      0.294732      1.467216
  C      -2.299975      0.167857      1.976691
  C      -2.827211     -1.082294      2.395680
  C      -4.192336     -1.084517      2.760994
  O      -4.880336     -2.045578      3.205922
  C      -7.307665     -4.482131      3.607183
  C      -7.828809     -5.157354      4.717619
  C      -9.163216     -4.984649      5.097590
  C      -9.721513     -5.710751      6.255432
  O     -10.871947     -5.618477      6.655910
  C      -8.778564     -6.620373      7.061092
  O      -7.825747     -6.293817      7.698303
  F      -9.228730     -7.908282      7.055611
  C     -10.005021     -4.127066      4.360363
  C      -9.494937     -3.454778      3.265103
  C      -8.150537     -3.617006      2.876561
  C      -7.623825     -2.823802      1.738949
  O      -8.318686     -2.105600      1.035383
  C      -3.506104     -4.862975      7.100046
  C      -3.475976     -5.808556      8.170793
  C      -3.339300     -5.417394      9.495632
  C      -3.343955     -6.422836     10.581599
  O      -3.219452     -6.161264     11.767735
  C      -3.568582     -7.901010     10.218086
  O      -4.508445     -8.375926      9.658111
  F      -2.574431     -8.679579     10.728342
  C      -3.150751     -4.058326      9.848737
  C      -3.061639     -3.136024      8.836823
  C      -3.222728     -3.492577      7.470812
  C      -2.857720     -2.495720      6.519546
  O      -2.965076     -2.573047      5.270934
  H      -0.069639     -2.976729      1.566200
  H      -0.650192      1.263792      1.147261
  H      -2.947000      1.044464      2.059477
  H      -4.741315     -0.137263      2.599564
  H      -7.158580     -5.799082      5.289113
  H     -11.042501     -4.005395      4.672094
  H     -10.114247     -2.769816      2.683818
  H      -6.527833     -2.902379      1.570642
  H      -3.623515     -6.861831      7.954004
  H      -3.043952     -3.784122     10.897001
  H      -2.850632     -2.088986      9.065402
  H      -2.372513     -1.588713      6.925333
  N      -5.568687     -3.283682      5.465011
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647816350544
  N      -2.500608     -3.472280      2.723296
  C      -1.667202     -4.628674      2.423891
  C      -2.165452     -5.870236      3.149028
  N      -3.629688     -5.914059      3.226015
  C      -4.295156     -5.907078      1.921857
  C      -5.772159     -5.567957      2.106221
  N      -5.947293     -4.695713      3.269531
  Mo     -4.476957     -3.847259      4.334557
  N      -3.748437     -5.233816      5.815728
  C      -3.694411     -6.676338      5.544506
  C      -4.101100     -6.978440      4.110018
  H      -4.391189     -7.221514      6.202285
  H      -2.683287     -7.060468      5.763650
  H      -5.195298     -7.011251      4.042958
  H      -3.714894     -7.969195      3.804448
  H      -6.153680     -5.100737      1.181843
  H      -6.382796     -6.476160      2.262229
  H      -3.814313     -5.134179      1.311162
  H      -4.188852     -6.876259      1.399232
  H      -0.615180     -4.489138      2.731247
  H      -1.638290     -4.805421      1.331263
  H      -1.789935     -5.856030      4.180502
  H      -1.766102     -6.780428      2.661128
  C      -2.024536     -2.298014      2.308940
  C      -0.726006     -2.125257      1.712510
  C      -0.244722     -0.885305      1.328918
  C       1.130091     -0.827446      0.786122
  O       1.876767     -1.782165      0.623013
  C       1.669357      0.535295      0.329671
  O       1.330266      1.157773     -0.628274
  F       2.717197      0.933454      1.109585
  C      -1.022117      0.296590      1.471735
  C      -2.291632      0.170206      1.980193
  C      -2.820894     -1.080388      2.395448
  C      -4.186467     -1.082102      2.758777
  O      -4.875821     -2.044132      3.199831
  C      -7.306611     -4.484886      3.610075
  C      -7.819890     -5.160310      4.724164
  C      -9.152988     -4.992013      5.110608
  C      -9.703160     -5.715340      6.274360
  O     -10.851635     -5.623685      6.680120
  C      -8.753011     -6.619282      7.079044
  O      -7.791413     -6.289945      7.701481
  F      -9.207785     -7.905421      7.092571
  C     -10.001742     -4.139587      4.375169
  C      -9.499436     -3.467191      3.276447
  C      -8.155998     -3.623950      2.882279
  C      -7.636522     -2.828583      1.742994
  O      -8.337094     -2.115687      1.039685
  C      -3.511452     -4.861993      7.094855
  C      -3.487570     -5.806722      8.166325
  C      -3.356890     -5.414495      9.491494
  C      -3.370016     -6.419012     10.578177
  O      -3.253324     -6.156811     11.765028
  C      -3.593562     -7.897265     10.214562
  O      -4.532177     -8.373109      9.653348
  F      -2.599431     -8.675017     10.726550
  C      -3.167306     -4.055514      9.844399
  C      -3.071175     -3.134333      8.831983
  C      -3.227145     -3.491846      7.465705
  C      -2.855664     -2.496814      6.514652
  O      -2.960758     -2.573722      5.265839
  H      -0.065441     -2.976457      1.562734
  H      -0.639943      1.266006      1.154582
  H      -2.937478      1.047493      2.064909
  H      -4.734597     -0.134043      2.599476
  H      -7.144398     -5.798423      5.293239
  H     -11.038156     -4.021140      4.691636
  H     -10.124293     -2.785669      2.697040
  H      -6.540121     -2.899914      1.573386
  H      -3.635626     -6.860057      7.950195
  H      -3.065241     -3.780575     10.892942
  H      -2.858696     -2.087588      9.060545
  H      -2.367411     -1.591870      6.921424
  N      -5.565400     -3.279176      5.459629
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647822930787
  N      -2.498974     -3.472113      2.718909
  C      -1.667467     -4.629465      2.418281
  C      -2.166511     -5.870648      3.143693
  N      -3.630489     -5.913436      3.221654
  C      -4.297520     -5.905332      1.918469
  C      -5.774287     -5.566001      2.104678
  N      -5.948396     -4.693972      3.268380
  Mo     -4.477593     -3.844655      4.330485
  N      -3.749906     -5.231279      5.812140
  C      -3.695720     -6.673874      5.541261
  C      -4.102210     -6.976654      4.106819
  H      -4.392704     -7.219071      6.198842
  H      -2.684609     -7.057701      5.760944
  H      -5.196382     -7.009167      4.039797
  H      -3.716500     -7.967958      3.802253
  H      -6.157029     -5.098428      1.180997
  H      -6.384582     -6.474343      2.261148
  H      -3.816882     -5.132202      1.307850
  H      -4.192445     -6.874011      1.394598
  H      -0.614925     -4.491628      2.724562
  H      -1.640114     -4.805984      1.325568
  H      -1.790086     -5.856810      4.174870
  H      -1.767930     -6.781115      2.655567
  C      -2.020794     -2.297726      2.307531
  C      -0.721534     -2.125543      1.712409
  C      -0.237929     -0.885617      1.331958
  C       1.137411     -0.828712      0.790364
  O       1.883732     -1.783884      0.628433
  C       1.677340      0.533614      0.333281
  O       1.336947      1.156158     -0.624187
  F       2.726995      0.930932      1.111045
  C      -1.013646      0.297245      1.476904
  C      -2.283737      0.171686      1.984073
  C      -2.815405     -1.079093      2.395920
  C      -4.181449     -1.079341      2.757505
  O      -4.872750     -2.041653      3.195168
  C      -7.307457     -4.486359      3.612400
  C      -7.816317     -5.163972      4.727261
  C      -9.149029     -4.999649      5.116994
  C      -9.696468     -5.724582      6.281228
  O     -10.844728     -5.634408      6.687772
  C      -8.744042     -6.627124      7.085664
  O      -7.767413     -6.299915      7.685785
  F      -9.214897     -7.906096      7.129774
  C     -10.001721     -4.149298      4.383449
  C      -9.503678     -3.474844      3.284150
  C      -8.160653     -3.627276      2.886982
  C      -7.645227     -2.829491      1.747652
  O      -8.349020     -2.119011      1.045093
  C      -3.514590     -4.858974      7.091315
  C      -3.492576     -5.803257      8.163193
  C      -3.364432     -5.410317      9.488391
  C      -3.380577     -6.414337     10.575463
  O      -3.269389     -6.151719     11.762760
  C      -3.599837     -7.893089     10.211280
  O      -4.536423     -8.371973      9.649249
  F      -2.603648     -8.668074     10.724167
  C      -3.175211     -4.051151      9.841059
  C      -3.076320     -3.130643      8.828252
  C      -3.230003     -3.488884      7.461892
  C      -2.855566     -2.495093      6.510574
  O      -2.959720     -2.572221      5.261663
  H      -0.062461     -2.977653      1.561180
  H      -0.629784      1.266855      1.162407
  H      -2.928293      1.049762      2.070374
  H      -4.728204     -0.130217      2.600068
  H      -7.137882     -5.800435      5.294328
  H     -11.037840     -4.033975      4.701993
  H     -10.131872     -2.794907      2.706460
  H      -6.548616     -2.896489      1.577451
  H      -3.640214     -6.856820      7.947779
  H      -3.075348     -3.775729     10.889685
  H      -2.863386     -2.083933      9.056567
  H      -2.365721     -1.590990      6.917320
  N      -5.564707     -3.274003      5.455472
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647829325811
  N      -2.497863     -3.471784      2.715416
  C      -1.667839     -4.629941      2.414308
  C      -2.167883     -5.870805      3.139725
  N      -3.631601     -5.912795      3.218178
  C      -4.299624     -5.903581      1.915707
  C      -5.776129     -5.563918      2.103010
  N      -5.949621     -4.692711      3.267406
  Mo     -4.479187     -3.841582      4.327324
  N      -3.752401     -5.228387      5.809347
  C      -3.698585     -6.671045      5.538878
  C      -4.103926     -6.974850      4.104288
  H      -4.396156     -7.215805      6.196228
  H      -2.687708     -7.055051      5.759346
  H      -5.197997     -7.007785      4.036214
  H      -3.718024     -7.966648      3.801409
  H      -6.159251     -5.095174      1.180061
  H      -6.386577     -6.472235      2.258825
  H      -3.818916     -5.130260      1.305316
  H      -4.195583     -6.871806      1.390707
  H      -0.615030     -4.493512      2.720296
  H      -1.641131     -4.806430      1.321565
  H      -1.790967     -5.857485      4.170766
  H      -1.769752     -6.781410      2.651366
  C      -2.017742     -2.297396      2.306543
  C      -0.717662     -2.125850      1.712888
  C      -0.231909     -0.886069      1.334928
  C       1.143932     -0.830214      0.794585
  O       1.889563     -1.785977      0.632907
  C       1.685096      0.531676      0.337624
  O       1.344614      1.154576     -0.619606
  F       2.735748      0.927851      1.114533
  C      -1.006181      0.297683      1.481154
  C      -2.276885      0.172972      1.986900
  C      -2.810810     -1.077788      2.396076
  C      -4.177206     -1.076489      2.756239
  O      -4.870428     -2.038654      3.191440
  C      -7.308703     -4.488437      3.613872
  C      -7.814057     -5.168784      4.728642
  C      -9.146509     -5.007878      5.121011
  C      -9.693085     -5.734921      6.284506
  O     -10.842024     -5.646543      6.689542
  C      -8.739864     -6.635728      7.090848
  O      -7.744829     -6.311962      7.662451
  F      -9.231866     -7.903697      7.176389
  C     -10.002081     -4.158464      4.389453
  C      -9.507427     -3.481533      3.290203
  C      -8.164713     -3.630319      2.890710
  C      -7.652211     -2.829711      1.752104
  O      -8.358673     -2.121856      1.049572
  C      -3.517201     -4.855821      7.088370
  C      -3.495911     -5.799880      8.160530
  C      -3.368660     -5.406506      9.485673
  C      -3.386538     -6.410149     10.573030
  O      -3.279656     -6.147223     11.760607
  C      -3.601917     -7.889386     10.208306
  O      -4.536731     -8.370913      9.645647
  F      -2.603947     -8.661976     10.721965
  C      -3.179340     -4.047196      9.837994
  C      -3.078967     -3.127212      8.824904
  C      -3.231836     -3.485909      7.458537
  C      -2.855709     -2.493060      6.506869
  O      -2.959223     -2.570484      5.257841
  H      -0.059878     -2.978827      1.560832
  H      -0.620726      1.267348      1.168809
  H      -2.920346      1.051759      2.074143
  H      -4.722517     -0.126332      2.600115
  H      -7.133466     -5.804169      5.293908
  H     -11.037989     -4.045790      4.709595
  H     -10.138149     -2.802274      2.714460
  H      -6.555125     -2.891811      1.582815
  H      -3.643784     -6.853520      7.945572
  H      -3.080312     -3.771459     10.886621
  H      -2.865484     -2.080540      9.052912
  H      -2.364960     -1.589339      6.913414
  N      -5.565315     -3.268889      5.452046
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647833162041
  N      -2.496909     -3.471436      2.713467
  C      -1.667760     -4.630120      2.412472
  C      -2.168683     -5.870641      3.137966
  N      -3.632267     -5.912154      3.216455
  C      -4.300661     -5.902489      1.914296
  C      -5.777205     -5.562906      2.102057
  N      -5.950745     -4.692548      3.267111
  Mo     -4.480820     -3.839213      4.325493
  N      -3.754817     -5.225971      5.807911
  C      -3.701448     -6.668698      5.537868
  C      -4.105053     -6.973548      4.102947
  H      -4.399871     -7.212804      6.194870
  H      -2.690924     -7.053093      5.759358
  H      -5.198981     -7.007542      4.033310
  H      -3.718255     -7.965526      3.801695
  H      -6.160141     -5.092909      1.179629
  H      -6.387915     -6.471195      2.256735
  H      -3.820106     -5.128963      1.304003
  H      -4.196915     -6.870496      1.388780
  H      -0.614847     -4.494574      2.718514
  H      -1.641145     -4.806770      1.319747
  H      -1.791813     -5.857530      4.169068
  H      -1.770703     -6.781360      2.649626
  C      -2.015770     -2.297129      2.305834
  C      -0.715120     -2.125950      1.713230
  C      -0.228198     -0.886254      1.336572
  C       1.148015     -0.831035      0.797225
  O       1.892934     -1.787276      0.634902
  C       1.690725      0.530692      0.341691
  O       1.350850      1.155019     -0.614842
  F       2.742000      0.924767      1.118770
  C      -1.001791      0.297941      1.483127
  C      -2.272920      0.173693      1.987805
  C      -2.808153     -1.076969      2.395668
  C      -4.174687     -1.074831      2.754941
  O      -4.869239     -2.036693      3.188951
  C      -7.310025     -4.490431      3.614583
  C      -7.813643     -5.172900      4.728744
  C      -9.145794     -5.013135      5.122960
  C      -9.693110     -5.741496      6.285446
  O     -10.842717     -5.653008      6.688647
  C      -8.741041     -6.642836      7.093241
  O      -7.730908     -6.324644      7.641450
  F      -9.252061     -7.899799      7.212592
  C     -10.002323     -4.163040      4.393186
  C      -9.509530     -3.484711      3.293943
  C      -8.167202     -3.632329      2.892820
  C      -7.656385     -2.830772      1.754102
  O      -8.364536     -2.125107      1.051083
  C      -3.518850     -4.853432      7.086775
  C      -3.497198     -5.797549      8.158959
  C      -3.369497     -5.404190      9.484045
  C      -3.387554     -6.407837     10.571344
  O      -3.282980     -6.144944     11.759090
  C      -3.599893     -7.887392     10.206023
  O      -4.533552     -8.370588      9.642936
  F      -2.600529     -8.658263     10.719824
  C      -3.180050     -4.044844      9.836232
  C      -3.079764     -3.124940      8.823140
  C      -3.232956     -3.483662      7.456787
  C      -2.856606     -2.491179      6.504962
  O      -2.959540     -2.569261      5.255911
  H      -0.057911     -2.979352      1.561037
  H      -0.615411      1.267572      1.171860
  H      -2.915841      1.052869      2.075203
  H      -4.718978     -0.124020      2.599213
  H      -7.132334     -5.808391      5.292723
  H     -11.037940     -4.051214      4.714530
  H     -10.141368     -2.805276      2.719653
  H      -6.559024     -2.890000      1.585491
  H      -3.645596     -6.851106      7.943888
  H      -3.080672     -3.769124     10.884839
  H      -2.866064     -2.078281      9.051010
  H      -2.366042     -1.587240      6.911273
  N      -5.566588     -3.265709      5.449917
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647835841608
  N      -2.496052     -3.471106      2.713048
  C      -1.667365     -4.630145      2.412570
  C      -2.169140     -5.870199      3.138266
  N      -3.632756     -5.911079      3.216495
  C      -4.300943     -5.901427      1.914231
  C      -5.777711     -5.562425      2.102025
  N      -5.951630     -4.692852      3.267604
  Mo     -4.482239     -3.837242      4.325284
  N      -3.757228     -5.224301      5.807908
  C      -3.704195     -6.667045      5.538012
  C      -4.106016     -6.972441      4.102684
  H      -4.403453     -7.210628      6.194568
  H      -2.694024     -7.051862      5.760450
  H      -5.199785     -7.007564      4.031486
  H      -3.718092     -7.964292      3.802434
  H      -6.160364     -5.091541      1.179897
  H      -6.388523     -6.470797      2.255614
  H      -3.820769     -5.127595      1.304024
  H      -4.196782     -6.869384      1.388685
  H      -0.614429     -4.495064      2.718779
  H      -1.640550     -4.807119      1.319902
  H      -1.792654     -5.857070      4.169540
  H      -1.771472     -6.781198      2.650192
  C      -2.014709     -2.297050      2.305253
  C      -0.713788     -2.126116      1.713114
  C      -0.226672     -0.886520      1.336355
  C       1.149753     -0.831641      0.797576
  O       1.894054     -1.788239      0.634324
  C       1.693872      0.530048      0.343739
  O       1.354863      1.156106     -0.611979
  F       2.745504      0.921883      1.121454
  C      -1.000299      0.297747      1.482257
  C      -2.271635      0.173719      1.986350
  C      -2.807199     -1.076759      2.394428
  C      -4.173768     -1.074446      2.753133
  O      -4.868914     -2.035899      3.187351
  C      -7.311104     -4.491659      3.615104
  C      -7.814389     -5.175136      4.728648
  C      -9.146316     -5.015130      5.123678
  C      -9.693599     -5.744067      6.285877
  O     -10.843247     -5.655474      6.688975
  C      -8.741854     -6.646722      7.092678
  O      -7.731577     -6.329577      7.641212
  F      -9.253218     -7.903739      7.210299
  C     -10.002744     -4.163965      4.395157
  C      -9.510429     -3.485117      3.295916
  C      -8.168372     -3.633038      2.894060
  C      -7.658197     -2.831303      1.755075
  O      -8.367186     -2.127002      1.051574
  C      -3.520204     -4.852157      7.086705
  C      -3.497885     -5.796484      8.158738
  C      -3.369010     -5.403404      9.483785
  C      -3.386222     -6.407239     10.570917
  O      -3.281572     -6.144457     11.758666
  C      -3.597442     -7.886884     10.205395
  O      -4.530823     -8.370351      9.642103
  F      -2.597728     -8.657276     10.719113
  C      -3.179168     -4.044148      9.836011
  C      -3.079598     -3.124034      8.823082
  C      -3.233701     -3.482529      7.456768
  C      -2.857421     -2.490300      6.504846
  O      -2.959801     -2.569324      5.255787
  H      -0.056477     -2.979551      1.561482
  H      -0.613675      1.267207      1.170794
  H      -2.914512      1.052997      2.073103
  H      -4.717627     -0.123510      2.596591
  H      -7.133228     -5.811398      5.291954
  H     -11.038093     -4.051848      4.717269
  H     -10.142303     -2.805067      2.722424
  H      -6.560692     -2.889117      1.586888
  H      -3.647007     -6.849833      7.943186
  H      -3.078797     -3.768656     10.884590
  H      -2.865664     -2.077426      9.050963
  H      -2.367235     -1.586008      6.910824
  N      -5.568127     -3.263797      5.449421
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647839949887
  N      -2.494681     -3.470324      2.712652
  C      -1.666351     -4.629693      2.412870
  C      -2.168873     -5.869119      3.138983
  N      -3.632613     -5.909248      3.216846
  C      -4.300472     -5.899953      1.914361
  C      -5.777612     -5.561935      2.102304
  N      -5.951971     -4.693152      3.268331
  Mo     -4.483113     -3.834777      4.325375
  N      -3.759757     -5.222612      5.808115
  C      -3.706284     -6.665319      5.538079
  C      -4.106164     -6.971023      4.102308
  H      -4.406064     -7.208910      6.194065
  H      -2.696267     -7.050055      5.761409
  H      -5.199744     -7.007578      4.029520
  H      -3.716710     -7.962469      3.802671
  H      -6.160290     -5.090425      1.180467
  H      -6.388261     -6.470565      2.254976
  H      -3.821004     -5.125741      1.304104
  H      -4.195521     -6.867968      1.389083
  H      -0.613375     -4.494872      2.719100
  H      -1.639368     -4.807169      1.320282
  H      -1.792916     -5.855740      4.170469
  H      -1.771656     -6.780561      2.651388
  C      -2.013433     -2.296676      2.303918
  C      -0.712379     -2.126044      1.711920
  C      -0.225493     -0.886616      1.334278
  C       1.151042     -0.832034      0.795784
  O       1.894631     -1.789000      0.631243
  C       1.696765      0.529725      0.344232
  O       1.359318      1.157837     -0.610688
  F       2.748216      0.919096      1.123484
  C      -0.999444      0.297605      1.478960
  C      -2.270897      0.173773      1.982706
  C      -2.806329     -1.076438      2.391884
  C      -4.172904     -1.074155      2.750153
  O      -4.868334     -2.034954      3.185570
  C      -7.311568     -4.492809      3.616199
  C      -7.814532     -5.177984      4.728699
  C      -9.146045     -5.017430      5.125069
  C      -9.692860     -5.747575      6.286812
  O     -10.841961     -5.658179      6.691247
  C      -8.741039     -6.652493      7.090841
  O      -7.730977     -6.336889      7.640554
  F      -9.252222     -7.910084      7.204210
  C     -10.002276     -4.164346      4.398766
  C      -9.510431     -3.484362      3.299897
  C      -8.168819     -3.632837      2.896800
  C      -7.659634     -2.830633      1.757567
  O      -8.369481     -2.126350      1.054957
  C      -3.522293     -4.851148      7.087094
  C      -3.500264     -5.795762      8.158897
  C      -3.370514     -5.403120      9.483981
  C      -3.387500     -6.407098     10.571016
  O      -3.281934     -6.144260     11.758700
  C      -3.599192     -7.886696     10.205760
  O      -4.532778     -8.369454      9.642154
  F      -2.600197     -8.657531     10.719774
  C      -3.179652     -4.044096      9.836446
  C      -3.080165     -3.123640      8.823827
  C      -3.234893     -3.481751      7.457494
  C      -2.857774     -2.490079      6.505592
  O      -2.959185     -2.570419      5.256507
  H      -0.054654     -2.979322      1.561192
  H      -0.612861      1.266774      1.166553
  H      -2.913935      1.053048      2.068350
  H      -4.716562     -0.123370      2.591897
  H      -7.133608     -5.815851      5.290539
  H     -11.037163     -4.051641      4.722171
  H     -10.142261     -2.803113      2.727812
  H      -6.562292     -2.888217      1.588286
  H      -3.650534     -6.848751      7.942588
  H      -3.078429     -3.768986     10.885046
  H      -2.865588     -2.077214      9.051918
  H      -2.367589     -1.585640      6.911201
  N      -5.569381     -3.261668      5.449099
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647841036238
  N      -2.493807     -3.469801      2.712376
  C      -1.665497     -4.629244      2.412842
  C      -2.168150     -5.868414      3.139210
  N      -3.631970     -5.908273      3.216902
  C      -4.299764     -5.899179      1.914337
  C      -5.777057     -5.561714      2.102508
  N      -5.951470     -4.693057      3.268532
  Mo     -4.482586     -3.833887      4.325292
  N      -3.760217     -5.222322      5.808170
  C      -3.706286     -6.664995      5.537902
  C      -4.105467     -6.970490      4.101909
  H      -4.406252     -7.208856      6.193454
  H      -2.696286     -7.049498      5.761678
  H      -5.198985     -7.007484      4.028758
  H      -3.715432     -7.961626      3.802028
  H      -6.160105     -5.090322      1.180758
  H      -6.387361     -6.470586      2.255216
  H      -3.820671     -5.124741      1.304080
  H      -4.194433     -6.867197      1.389157
  H      -0.612496     -4.494328      2.718955
  H      -1.638548     -4.806937      1.320288
  H      -1.792431     -5.854760      4.170785
  H      -1.771127     -6.780108      2.651958
  C      -2.012796     -2.296336      2.302940
  C      -0.711813     -2.125786      1.710770
  C      -0.225265     -0.886426      1.332457
  C       1.151246     -0.831831      0.793878
  O       1.894766     -1.788820      0.629174
  C       1.697197      0.530007      0.342847
  O       1.360294      1.158483     -0.612013
  F       2.748312      0.919046      1.122772
  C      -0.999494      0.297698      1.476538
  C      -2.270913      0.173870      1.980368
  C      -2.805996     -1.076255      2.390309
  C      -4.172586     -1.074151      2.748498
  O      -4.867796     -2.034751      3.184747
  C      -7.310987     -4.493000      3.616990
  C      -7.813638     -5.179184      4.729022
  C      -9.144864     -5.018396      5.126361
  C      -9.691448     -5.749228      6.287864
  O     -10.840011     -5.658767      6.693497
  C      -8.739903     -6.656271      7.089788
  O      -7.727977     -6.343089      7.637444
  F      -9.253846     -7.912648      7.204191
  C     -10.001149     -4.164271      4.401377
  C      -9.509644     -3.483487      3.302855
  C      -8.168328     -3.632102      2.898856
  C      -7.659765     -2.829380      1.759697
  O      -8.369790     -2.123572      1.058795
  C      -3.523400     -4.851188      7.087367
  C      -3.502287     -5.795826      8.159168
  C      -3.373006     -5.403205      9.484299
  C      -3.390597     -6.407134     10.571370
  O      -3.284847     -6.144182     11.759049
  C      -3.603054     -7.886640     10.206408
  O      -4.536823     -8.368848      9.642612
  F      -2.604715     -8.657930     10.720778
  C      -3.181813     -4.044264      9.836923
  C      -3.081493     -3.123783      8.824390
  C      -3.235659     -3.481878      7.458007
  C      -2.857167     -2.490748      6.506163
  O      -2.957868     -2.571638      5.257031
  H      -0.053786     -2.978910      1.560463
  H      -0.613117      1.266747      1.163502
  H      -2.914121      1.053065      2.065511
  H      -4.716462     -0.123644      2.589340
  H      -7.132627     -5.817842      5.289832
  H     -11.035763     -4.051347      4.725575
  H     -10.141566     -2.801538      2.731706
  H      -6.562781     -2.888161      1.588613
  H      -3.652870     -6.848741      7.942713
  H      -3.080967     -3.769221     10.885573
  H      -2.866584     -2.077457      9.052619
  H      -2.366450     -1.586588      6.911709
  N      -5.568934     -3.260701      5.448875
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647842197963
  N      -2.492572     -3.469089      2.712129
  C      -1.664275     -4.628647      2.412893
  C      -2.166994     -5.867391      3.139809
  N      -3.630930     -5.907009      3.217199
  C      -4.298619     -5.898184      1.914508
  C      -5.776074     -5.561443      2.102901
  N      -5.950552     -4.692621      3.268655
  Mo     -4.481536     -3.833036      4.325281
  N      -3.760116     -5.222311      5.808449
  C      -3.705558     -6.664933      5.537856
  C      -4.104260     -6.969885      4.101644
  H      -4.405692     -7.209243      6.192845
  H      -2.695539     -7.049060      5.762112
  H      -5.197748     -7.007036      4.028478
  H      -3.713835     -7.960614      3.801002
  H      -6.159814     -5.090613      1.181149
  H      -6.385710     -6.470728      2.256057
  H      -3.819892     -5.123431      1.304362
  H      -4.192783     -6.866151      1.389367
  H      -0.611218     -4.493523      2.718715
  H      -1.637551     -4.806741      1.320396
  H      -1.791592     -5.853087      4.171489
  H      -1.770131     -6.779515      2.653270
  C      -2.011929     -2.295871      2.301654
  C      -0.711162     -2.125420      1.708978
  C      -0.225114     -0.886175      1.329687
  C       1.151262     -0.831510      0.790709
  O       1.894928     -1.788413      0.626294
  C       1.696827      0.530369      0.339288
  O       1.359977      1.158469     -0.615818
  F       2.747621      0.920001      1.119433
  C      -0.999679      0.297841      1.473166
  C      -2.270948      0.174009      1.977392
  C      -2.805466     -1.076029      2.388388
  C      -4.172036     -1.074205      2.746669
  O      -4.866722     -2.034707      3.184018
  C      -7.309901     -4.492881      3.617960
  C      -7.812239     -5.180706      4.729212
  C      -9.143062     -5.019669      5.127868
  C      -9.689620     -5.751665      6.288743
  O     -10.837302     -5.659126      6.696289
  C      -8.739108     -6.662952      7.087169
  O      -7.722941     -6.354965      7.629951
  F      -9.259370     -7.916342      7.205018
  C      -9.999346     -4.163826      4.404831
  C      -9.508179     -3.481635      3.307102
  C      -8.167266     -3.630386      2.901829
  C      -7.659213     -2.826561      1.763272
  O      -8.368875     -2.116887      1.065879
  C      -3.524540     -4.851444      7.087885
  C      -3.504712     -5.796025      8.159780
  C      -3.376681     -5.403234      9.484972
  C      -3.395293     -6.407053     10.572113
  O      -3.289552     -6.143999     11.759819
  C      -3.608866     -7.886412     10.207468
  O      -4.542878     -8.367913      9.643449
  F      -2.611385     -8.658358     10.722323
  C      -3.185502     -4.044302      9.837788
  C      -3.083774     -3.123922      8.825284
  C      -3.236660     -3.482168      7.458809
  C      -2.856174     -2.491825      6.507023
  O      -2.956089     -2.573243      5.257811
  H      -0.052844     -2.978394      1.559084
  H      -0.613656      1.266768      1.159318
  H      -2.914370      1.053085      2.062069
  H      -4.716479     -0.124202      2.586547
  H      -7.131040     -5.820439      5.288493
  H     -11.033633     -4.050717      4.729993
  H     -10.140159     -2.798482      2.737443
  H      -6.562949     -2.888415      1.588863
  H      -3.655255     -6.848988      7.943443
  H      -3.085738     -3.769210     10.886519
  H      -2.868681     -2.077669      9.053674
  H      -2.364513     -1.588170      6.912495
  N      -5.568072     -3.259800      5.448705
75
Coordinates from ORCA-job /scratch/magstr/orcajob__5668044-tYqv/orca E -6610.647842797540
  N      -2.492524     -3.468947      2.712295
  C      -1.664158     -4.628556      2.413354
  C      -2.166888     -5.867080      3.140605
  N      -3.630852     -5.906756      3.217769
  C      -4.298373     -5.897991      1.914968
  C      -5.775845     -5.561451      2.103222
  N      -5.950418     -4.692295      3.268669
  Mo     -4.481356     -3.832922      4.325419
  N      -3.760153     -5.222432      5.808911
  C      -3.705400     -6.665034      5.538318
  C      -4.104191     -6.969779      4.102105
  H      -4.405499     -7.209498      6.193222
  H      -2.695330     -7.048988      5.762615
  H      -5.197703     -7.006681      4.029140
  H      -3.713928     -7.960452      3.801103
  H      -6.159805     -5.091044      1.181346
  H      -6.385191     -6.470887      2.256721
  H      -3.819605     -5.123112      1.305006
  H      -4.192337     -6.865885      1.389746
  H      -0.611119     -4.493282      2.719159
  H      -1.637458     -4.806946      1.320906
  H      -1.791648     -5.852346      4.172336
  H      -1.769909     -6.779388      2.654513
  C      -2.011965     -2.295829      2.301445
  C      -0.711203     -2.125415      1.708753
  C      -0.225229     -0.886230      1.329202
  C       1.151210     -0.831516      0.790361
  O       1.895145     -1.788310      0.626621
  C       1.696284      0.530289      0.338071
  O       1.359232      1.157553     -0.617507
  F       2.746810      0.920953      1.118077
  C      -0.999921      0.297764      1.472348
  C      -2.271208      0.173933      1.976546
  C      -2.805590     -1.076070      2.387828
  C      -4.172200     -1.074391      2.745997
  O      -4.866560     -2.034984      3.183666
  C      -7.309733     -4.492520      3.617950
  C      -7.812392     -5.181086      4.728646
  C      -9.143210     -5.020034      5.127284
  C      -9.690376     -5.752596      6.287508
  O     -10.837898     -5.659143      6.695296
  C      -8.741037     -6.666391      7.084627
  O      -7.722957     -6.361397      7.625565
  F      -9.264499     -7.918325      7.203247
  C      -9.999171     -4.163340      4.404764
  C      -9.507688     -3.480434      3.307677
  C      -8.166785     -3.629250      2.902374
  C      -7.658252     -2.824829      1.764517
  O      -8.367184     -2.112974      1.068576
  C      -3.524805     -4.851412      7.088295
  C      -3.504985     -5.795913      8.160297
  C      -3.376554     -5.403010      9.485418
  C      -3.394196     -6.406810     10.572583
  O      -3.285992     -6.143887     11.760098
  C      -3.609472     -7.886037     10.208384
  O      -4.546056     -8.367379      9.648539
  F      -2.610096     -8.658224     10.719239
  C      -3.185238     -4.044044      9.838129
  C      -3.083680     -3.123764      8.825541
  C      -3.236731     -3.482119      7.459108
  C      -2.855862     -2.492041      6.507213
  O      -2.955870     -2.573439      5.257986
  H      -0.052836     -2.978401      1.559130
  H      -0.613976      1.266677      1.158359
  H      -2.914731      1.052955      2.060999
  H      -4.717033     -0.124673      2.585559
  H      -7.131323     -5.821281      5.287505
  H     -11.033490     -4.050254      4.729823
  H     -10.139431     -2.796671      2.738481
  H      -6.562288     -2.888532      1.588978
  H      -3.655324     -6.848978      7.944266
  H      -3.085206     -3.768900     10.886820
  H      -2.868392     -2.077526      9.053820
  H      -2.363706     -1.588606      6.912568
  N      -5.568015     -3.259470      5.448691
