88
Coordinates from ORCA-job orca E -6669.292813821257
  N      -3.588059      0.278792      4.753129
  Mo     -3.720432      2.385639      4.578805
  N      -5.063042      2.576509      6.211391
  C      -4.394221      3.027715      7.411886
  C      -3.087945      2.248149      7.632554
  N      -2.288002      2.071101      6.397248
  C      -1.781221      0.695166      6.314816
  C      -2.926384     -0.247052      5.931189
  C      -1.186335      3.053077      6.347964
  C      -1.771700      4.438298      6.006949
  N      -2.863329      4.110781      5.139127
  H      -2.521514     -1.250360      5.745999
  H      -3.659981     -0.330528      6.746108
  H      -1.027235      0.652471      5.522388
  H      -1.321227      0.374391      7.258110
  H      -2.114569      4.977053      6.900907
  H      -1.027049      5.067438      5.502986
  H      -0.629298      3.076662      7.292391
  H      -0.505487      2.758647      5.543264
  H      -5.031491      2.898823      8.298187
  H      -4.196294      4.105866      7.313922
  H      -3.356776      1.264954      8.024108
  H      -2.496043      2.758829      8.399949
  C      -4.247470      4.741648     -1.120267
  C      -4.418271      3.745660     -0.022438
  O      -4.303038      4.037597      1.167936
  C      -4.762014      2.352397     -0.387552
  C      -5.396973      1.975619     -1.575153
  C      -5.780156      0.659813     -1.755243
  C      -5.547613     -0.275906     -0.754820
  F      -5.999288     -1.524897     -0.941637
  C      -4.896178      0.067565      0.427126
  C      -4.647264     -0.864271      1.573735
  O      -4.696938     -2.083030      1.509365
  N      -4.391071     -0.113902      2.680005
  C      -3.866918     -0.564400      3.791580
  C      -4.489720      1.387074      0.573618
  C      -7.733799     10.260799     -0.422197
  C      -7.267763      8.918875      0.045159
  O      -7.475516      7.894693     -0.576015
  C      -6.510487      8.869504      1.335703
  C      -6.028972      9.998576      1.999741
  C      -5.325482      9.863532      3.183841
  C      -5.083900      8.601841      3.699560
  F      -4.419772      8.506230      4.867115
  C      -5.547454      7.452231      3.060654
  C      -5.294785      6.079959      3.545009
  O      -6.086579      5.151166      3.335806
  N      -4.118623      5.926017      4.227773
  C      -3.778441      4.703033      4.476618
  C      -6.271261      7.615032      1.885599
  C     -13.789886     -0.758606      4.175085
  C     -12.752158     -0.052959      4.990086
  O     -12.952225      0.337038      6.119866
  C     -11.412684      0.163532      4.347143
  C     -11.008395     -0.472213      3.174719
  C      -9.751285     -0.221870      2.653929
  C      -8.899418      0.650169      3.307138
  F      -7.679178      0.881552      2.730773
  C      -9.260956      1.302693      4.480306
  C      -8.416818      2.249173      5.272751
  O      -8.941749      3.161021      5.908322
  N      -7.077609      2.024886      5.236961
  C      -6.357289      2.509381      6.233320
  C     -10.535695      1.041494      4.974488
  H      -5.225884      4.985774     -1.533378
  H      -3.801353      5.652580     -0.729852
  H      -3.635808      4.325788     -1.916312
  H      -5.615835      2.700836     -2.341640
  H      -6.280882      0.343546     -2.656605
  H      -3.609860     -1.629319      3.906176
  H      -3.946399      1.658019      1.463774
  H      -8.301775     10.755660      0.361160
  H      -6.872211     10.878250     -0.667358
  H      -8.349903     10.140982     -1.309209
  H      -6.196343     10.985485      1.601247
  H      -4.956673     10.725557      3.716953
  H      -4.456833      3.888712      4.005913
  H      -6.648665      6.732740      1.387928
  H     -14.738561     -0.736622      4.704319
  H     -13.490592     -1.794095      4.026464
  H     -13.893672     -0.285460      3.202412
  H     -11.658033     -1.161912      2.662258
  H      -9.413447     -0.693691      1.744290
  H      -6.892378      2.808629      7.150022
  H     -10.848562      1.544218      5.878895
  N      -2.283084      2.206650      3.017110
  H      -1.595451      2.121020      2.269989
88
Coordinates from ORCA-job orca E -6669.328939507188
  N      -3.503842      0.269893      4.847336
  Mo     -3.633085      2.369390      4.684821
  N      -4.996131      2.541584      6.295780
  C      -4.349114      2.986123      7.521180
  C      -3.051474      2.205693      7.752325
  N      -2.230468      2.043720      6.514531
  C      -1.713880      0.660962      6.421150
  C      -2.850015     -0.277045      6.026071
  C      -1.128579      3.036409      6.475966
  C      -1.714762      4.419493      6.141748
  N      -2.797528      4.103983      5.260472
  H      -2.443584     -1.280040      5.830951
  H      -3.585624     -0.370362      6.842138
  H      -0.952518      0.634238      5.632132
  H      -1.256397      0.336701      7.368851
  H      -2.070291      4.952133      7.036973
  H      -0.967091      5.055323      5.645936
  H      -0.578737      3.051470      7.427929
  H      -0.442019      2.745360      5.672727
  H      -5.002294      2.846108      8.396330
  H      -4.145858      4.066775      7.443363
  H      -3.320818      1.212471      8.126821
  H      -2.465609      2.707398      8.534976
  C      -4.742019      4.765116     -1.414678
  C      -4.768863      3.837449     -0.233981
  O      -4.605437      4.242141      0.917130
  C      -5.022882      2.388736     -0.480402
  C      -5.686895      1.897475     -1.614156
  C      -5.983418      0.545544     -1.707410
  C      -5.631235     -0.315023     -0.670789
  F      -5.999225     -1.604837     -0.777470
  C      -4.949487      0.131446      0.466900
  C      -4.595846     -0.765907      1.633665
  O      -4.594663     -1.994658      1.565904
  N      -4.339341     -0.026474      2.763387
  C      -3.792550     -0.534831      3.840557
  C      -4.636133      1.494023      0.522105
  C      -7.623925     10.190754     -0.496465
  C      -7.157378      8.855240      0.016623
  O      -7.349628      7.815769     -0.598810
  C      -6.429364      8.834480      1.329807
  C      -5.972950      9.989674      1.978475
  C      -5.291850      9.894386      3.185151
  C      -5.048852      8.644323      3.740328
  F      -4.411005      8.599549      4.926884
  C      -5.487960      7.464753      3.120529
  C      -5.241583      6.091523      3.636143
  O      -6.037518      5.173182      3.409336
  N      -4.059091      5.932797      4.342725
  C      -3.713122      4.707214      4.589033
  C      -6.189454      7.592282      1.920837
  C     -13.722866     -0.766924      3.975997
  C     -12.695632     -0.093208      4.847216
  O     -12.926593      0.223259      6.004445
  C     -11.349606      0.182790      4.236373
  C     -10.928153     -0.378022      3.023707
  C      -9.666193     -0.084260      2.524207
  C      -8.826472      0.758024      3.240196
  F      -7.617956      1.039324      2.688870
  C      -9.201231      1.337029      4.454473
  C      -8.359969      2.246186      5.302360
  O      -8.904232      3.121939      5.985525
  N      -7.007887      2.019962      5.262359
  C      -6.312812      2.468284      6.287632
  C     -10.481804      1.033785      4.924982
  H      -5.765984      4.906039     -1.785510
  H      -4.346465      5.739166     -1.115521
  H      -4.143578      4.339652     -2.226993
  H      -5.996431      2.566670     -2.412822
  H      -6.507247      0.141393     -2.570107
  H      -3.537785     -1.607957      3.909512
  H      -4.074566      1.859520      1.374954
  H      -8.219181     10.706904      0.264462
  H      -6.756197     10.817424     -0.735543
  H      -8.219801     10.046117     -1.401071
  H      -6.143180     10.972235      1.547157
  H      -4.941779     10.780951      3.707785
  H      -4.396280      3.889753      4.098984
  H      -6.548577      6.688503      1.433792
  H     -14.682606     -0.790901      4.498449
  H     -13.407418     -1.795602      3.763163
  H     -13.827372     -0.236934      3.023481
  H     -11.573920     -1.046334      2.461033
  H      -9.315550     -0.497824      1.581878
  H      -6.864195      2.753296      7.202370
  H     -10.807393      1.480487      5.861519
  N      -2.268718      2.219146      3.179033
  H      -1.583910      2.139734      2.423229
88
Coordinates from ORCA-job orca E -6669.356521363458
  N      -3.485385      0.238725      4.886557
  Mo     -3.604579      2.332561      4.714188
  N      -4.959337      2.508106      6.327991
  C      -4.312866      2.953430      7.560057
  C      -3.022332      2.167045      7.787619
  N      -2.203748      2.002956      6.538382
  C      -1.688808      0.610439      6.441676
  C      -2.828860     -0.321751      6.058222
  C      -1.097529      2.998599      6.485939
  C      -1.680173      4.380577      6.151899
  N      -2.771175      4.077836      5.275221
  H      -2.430880     -1.328358      5.856763
  H      -3.557084     -0.413519      6.882934
  H      -0.931843      0.587601      5.646916
  H      -1.223175      0.289079      7.388717
  H      -2.029798      4.916936      7.048753
  H      -0.932021      5.012435      5.648681
  H      -0.541861      3.011309      7.436265
  H      -0.418666      2.699167      5.678236
  H      -4.967590      2.814565      8.435488
  H      -4.102975      4.033919      7.486596
  H      -3.289416      1.170215      8.158754
  H      -2.427190      2.663889      8.569155
  C      -4.722405      4.869814     -1.417346
  C      -4.739424      3.952060     -0.219374
  O      -4.543823      4.379347      0.916584
  C      -5.020309      2.497952     -0.443146
  C      -5.706292      2.014884     -1.570948
  C      -6.029947      0.664563     -1.664708
  C      -5.679105     -0.202807     -0.631035
  F      -6.071332     -1.488307     -0.742036
  C      -4.977316      0.231033      0.505772
  C      -4.630161     -0.680722      1.662602
  O      -4.647157     -1.914778      1.573864
  N      -4.349877      0.039654      2.808155
  C      -3.800879     -0.531454      3.850753
  C      -4.642355      1.592858      0.558911
  C      -7.660660     10.055188     -0.594813
  C      -7.181254      8.731835     -0.044507
  O      -7.372165      7.676742     -0.644386
  C      -6.451866      8.743716      1.268567
  C      -6.004778      9.924458      1.885885
  C      -5.317794      9.871112      3.095599
  C      -5.061427      8.635427      3.684630
  F      -4.419064      8.635938      4.870753
  C      -5.490846      7.430052      3.099721
  C      -5.235711      6.063236      3.645325
  O      -6.033175      5.149348      3.432266
  N      -4.038253      5.916090      4.356218
  C      -3.691571      4.690906      4.605135
  C      -6.197680      7.517805      1.895438
  C     -13.715597     -0.774260      3.931934
  C     -12.684976     -0.125594      4.829109
  O     -12.926396      0.133802      6.006032
  C     -11.345113      0.194152      4.230698
  C     -10.926977     -0.310038      2.986308
  C      -9.669351      0.014994      2.487098
  C      -8.829127      0.833949      3.236946
  F      -7.638293      1.151090      2.692562
  C      -9.198650      1.356984      4.483718
  C      -8.345853      2.236354      5.355674
  O      -8.891246      3.086146      6.077149
  N      -6.983977      2.008065      5.287549
  C      -6.294381      2.435258      6.318396
  C     -10.476070      1.023376      4.952052
  H      -5.754207      5.025542     -1.773175
  H      -4.305395      5.843033     -1.134589
  H      -4.145993      4.428702     -2.243296
  H      -6.011762      2.692632     -2.370119
  H      -6.571639      0.268155     -2.525249
  H      -3.564934     -1.611875      3.880911
  H      -4.067977      1.951776      1.413041
  H      -8.262402     10.592288      0.153014
  H      -6.796807     10.688351     -0.851691
  H      -8.256792      9.881127     -1.497754
  H      -6.186982     10.896721      1.425529
  H      -4.973725     10.778399      3.594754
  H      -4.393342      3.872522      4.112572
  H      -6.548786      6.594422      1.432658
  H     -14.674229     -0.831779      4.460346
  H     -13.392141     -1.793531      3.667878
  H     -13.834495     -0.205008      2.998763
  H     -11.576370     -0.960061      2.398021
  H      -9.322549     -0.353942      1.520494
  H      -6.838538      2.716828      7.239784
  H     -10.798520      1.426804      5.912885
  N      -2.363620      2.195170      3.264654
  H      -1.699802      2.111255      2.489898
88
Coordinates from ORCA-job orca E -6669.373143736198
  N      -3.456110      0.230704      4.924143
  Mo     -3.568814      2.327010      4.743083
  N      -4.923991      2.495045      6.363663
  C      -4.282447      2.934735      7.603291
  C      -2.994783      2.144843      7.827199
  N      -2.175011      1.987121      6.572121
  C      -1.656414      0.590757      6.469255
  C      -2.797397     -0.338921      6.088006
  C      -1.069375      2.988445      6.513665
  C      -1.650177      4.370785      6.182202
  N      -2.745455      4.083493      5.302318
  H      -2.405534     -1.347377      5.880043
  H      -3.519357     -0.431608      6.918500
  H      -0.900382      0.577015      5.672967
  H      -1.186262      0.272020      7.415605
  H      -1.998194      4.905264      7.081484
  H      -0.900113      5.001887      5.679613
  H      -0.511982      2.997328      7.463587
  H      -0.394160      2.685139      5.703895
  H      -4.940275      2.790447      8.476161
  H      -4.069340      4.015499      7.540197
  H      -3.257466      1.142909      8.188688
  H      -2.393850      2.634022      8.610404
  C      -4.910039      4.876715     -1.439098
  C      -4.864628      3.978960     -0.221764
  O      -4.613662      4.434087      0.890692
  C      -5.148677      2.518115     -0.404485
  C      -5.871981      2.018950     -1.502067
  C      -6.193786      0.665409     -1.572521
  C      -5.799674     -0.188671     -0.543234
  F      -6.187877     -1.477994     -0.632870
  C      -5.062007      0.260090      0.567358
  C      -4.671236     -0.640407      1.715355
  O      -4.683795     -1.876041      1.627293
  N      -4.363790      0.084305      2.857061
  C      -3.793369     -0.516520      3.872657
  C      -4.736810      1.625312      0.595483
  C      -7.609168      9.993116     -0.657779
  C      -7.134295      8.678660     -0.075244
  O      -7.327051      7.615180     -0.662877
  C      -6.415294      8.709449      1.240012
  C      -5.972055      9.904189      1.836084
  C      -5.290124      9.876642      3.050221
  C      -5.037360      8.651056      3.664226
  F      -4.399586      8.676988      4.852994
  C      -5.463649      7.433178      3.103948
  C      -5.215130      6.071798      3.674187
  O      -6.015206      5.163219      3.469597
  N      -4.011232      5.932134      4.390846
  C      -3.665630      4.706039      4.634986
  C      -6.164339      7.496020      1.893559
  C     -13.626928     -0.819104      3.782844
  C     -12.611076     -0.197939      4.720314
  O     -12.870911     -0.018869      5.910635
  C     -11.281085      0.192120      4.153947
  C     -10.850922     -0.224762      2.879568
  C      -9.601486      0.157843      2.400506
  C      -8.778832      0.949133      3.201696
  F      -7.602541      1.330150      2.680164
  C      -9.161140      1.385131      4.481102
  C      -8.319811      2.229843      5.397502
  O      -8.878657      3.030743      6.162563
  N      -6.949522      2.020233      5.310953
  C      -6.267770      2.420885      6.353856
  C     -10.430915      0.995734      4.927020
  H      -5.958707      5.025698     -1.749424
  H      -4.483405      5.855737     -1.190660
  H      -4.373153      4.426414     -2.288205
  H      -6.206611      2.687950     -2.298398
  H      -6.763823      0.256729     -2.409700
  H      -3.568304     -1.599077      3.882456
  H      -4.141551      1.998904      1.430666
  H      -8.216752     10.550148      0.072581
  H      -6.744104     10.624144     -0.921944
  H      -8.198551      9.798944     -1.561800
  H      -6.152875     10.867408      1.354154
  H      -4.947763     10.793993      3.533751
  H      -4.383928      3.890859      4.132418
  H      -6.511619      6.562686      1.447004
  H     -14.583845     -0.931612      4.306736
  H     -13.279918     -1.813673      3.456008
  H     -13.761954     -0.200689      2.882050
  H     -11.487946     -0.852004      2.252294
  H      -9.247365     -0.142128      1.411988
  H      -6.804158      2.690446      7.283412
  H     -10.763078      1.331876      5.911132
  N      -2.450720      2.213095      3.351757
  H      -1.810866      2.129985      2.557788
88
Coordinates from ORCA-job orca E -6669.381271205342
  N      -3.439195      0.234336      4.988466
  Mo     -3.537015      2.337983      4.778382
  N      -4.876976      2.509994      6.427730
  C      -4.223071      2.943369      7.664225
  C      -2.935349      2.148203      7.871799
  N      -2.129155      1.990935      6.605438
  C      -1.609504      0.593591      6.496999
  C      -2.759876     -0.334151      6.138651
  C      -1.025863      2.995699      6.521595
  C      -1.606859      4.379301      6.194921
  N      -2.715485      4.104869      5.324668
  H      -2.379722     -1.346519      5.926481
  H      -3.462503     -0.419549      6.986281
  H      -0.864827      0.582396      5.689843
  H      -1.123430      0.283457      7.438143
  H      -1.943008      4.915196      7.097973
  H      -0.858731      5.007078      5.685018
  H      -0.453742      3.005816      7.462842
  H      -0.364976      2.682963      5.703361
  H      -4.873677      2.797106      8.542540
  H      -4.003929      4.023436      7.607241
  H      -3.193360      1.143794      8.229210
  H      -2.317490      2.629491      8.647234
  C      -5.276893      4.801882     -1.381332
  C      -5.113833      3.925688     -0.157005
  O      -4.732087      4.398016      0.909913
  C      -5.435615      2.466957     -0.277583
  C      -6.243710      1.955455     -1.307616
  C      -6.580006      0.604030     -1.330456
  C      -6.109995     -0.236046     -0.322012
  F      -6.506290     -1.525009     -0.365843
  C      -5.292345      0.226604      0.725081
  C      -4.819159     -0.654550      1.853024
  O      -4.827647     -1.889982      1.779700
  N      -4.439623      0.089310      2.962191
  C      -3.820487     -0.511487      3.950713
  C      -4.966140      1.590286      0.709016
  C      -7.505769      9.961419     -0.713581
  C      -7.058147      8.653821     -0.093450
  O      -7.272351      7.581920     -0.656839
  C      -6.344172      8.701614      1.221170
  C      -5.884372      9.904134      1.788384
  C      -5.202779      9.896562      3.002317
  C      -4.970402      8.682205      3.645701
  F      -4.331516      8.726797      4.833571
  C      -5.415580      7.458458      3.117583
  C      -5.191865      6.106309      3.722057
  O      -6.007131      5.207766      3.540341
  N      -3.982795      5.963633      4.433259
  C      -3.640108      4.734842      4.670165
  C      -6.113216      7.501435      1.904818
  C     -13.373767     -0.923222      3.414411
  C     -12.408721     -0.344632      4.430723
  O     -12.699767     -0.309982      5.626137
  C     -11.099865      0.182169      3.939405
  C     -10.633677     -0.062664      2.633702
  C      -9.404617      0.440604      2.219906
  C      -8.636168      1.181788      3.117641
  F      -7.484196      1.694363      2.657418
  C      -9.056403      1.445034      4.433560
  C      -8.269790      2.229417      5.446773
  O      -8.872561      2.928809      6.272906
  N      -6.891502      2.076066      5.361242
  C      -6.220168      2.438571      6.425045
  C     -10.305968      0.940044      4.811397
  H      -6.349535      4.967289     -1.580502
  H      -4.809949      5.776270     -1.196622
  H      -4.843375      4.329601     -2.276323
  H      -6.629239      2.613271     -2.089779
  H      -7.214620      0.185546     -2.114226
  H      -3.610141     -1.596382      3.961971
  H      -4.324240      1.977914      1.501500
  H      -8.105273     10.551838     -0.002970
  H      -6.629640     10.571257     -0.990891
  H      -8.094680      9.752264     -1.614303
  H      -6.050974     10.857320      1.282477
  H      -4.846090     10.819354      3.464021
  H      -4.382972      3.924810      4.171805
  H      -6.471478      6.562618      1.479841
  H     -14.327109     -1.147389      3.907489
  H     -12.963890     -1.854543      2.988821
  H     -13.537151     -0.224168      2.579581
  H     -11.228901     -0.649099      1.930822
  H      -9.025659      0.276579      1.209076
  H      -6.750903      2.689676      7.362871
  H     -10.667541      1.143446      5.821205
  N      -2.537929      2.228386      3.354562
  H      -1.950693      2.140428      2.520420
88
Coordinates from ORCA-job orca E -6669.387424577465
  N      -3.468888      0.224064      5.068880
  Mo     -3.538112      2.330452      4.790962
  N      -4.845926      2.548327      6.480530
  C      -4.166192      2.992959      7.697482
  C      -2.882902      2.185935      7.891971
  N      -2.104074      1.997697      6.612130
  C      -1.595332      0.594575      6.518933
  C      -2.763669     -0.328831      6.208376
  C      -0.996432      2.992874      6.474651
  C      -1.566848      4.376125      6.132338
  N      -2.698231      4.107701      5.286894
  H      -2.404642     -1.351110      6.007113
  H      -3.440188     -0.386699      7.078981
  H      -0.869317      0.565084      5.695488
  H      -1.088094      0.305734      7.455345
  H      -1.878423      4.932720      7.031503
  H      -0.819080      4.983966      5.598427
  H      -0.400710      3.017795      7.400992
  H      -0.360046      2.649793      5.649074
  H      -4.802409      2.866534      8.589551
  H      -3.933267      4.069195      7.623363
  H      -3.142504      1.189040      8.267211
  H      -2.236948      2.668128      8.643636
  C      -5.489076      4.687403     -1.284217
  C      -5.259017      3.825310     -0.061619
  O      -4.751926      4.293843      0.954363
  C      -5.664851      2.385464     -0.119096
  C      -6.558906      1.889485     -1.082742
  C      -6.952412      0.554336     -1.052959
  C      -6.448647     -0.285925     -0.061218
  F      -6.892953     -1.559369     -0.055706
  C      -5.551147      0.164278      0.922435
  C      -5.034862     -0.705654      2.035992
  O      -5.071936     -1.939695      1.988845
  N      -4.567182      0.056144      3.098300
  C      -3.910324     -0.536295      4.068440
  C      -5.178998      1.512316      0.858922
  C      -7.491494     10.030219     -0.691529
  C      -7.068815      8.712691     -0.075622
  O      -7.336028      7.647810     -0.626770
  C      -6.318004      8.742200      1.216519
  C      -5.813790      9.934653      1.765718
  C      -5.100089      9.914933      2.959578
  C      -4.883335      8.697900      3.601678
  F      -4.213034      8.729378      4.772707
  C      -5.371877      7.484769      3.092569
  C      -5.170554      6.132733      3.705689
  O      -6.012909      5.252998      3.558378
  N      -3.954745      5.974690      4.399980
  C      -3.626986      4.742795      4.644295
  C      -6.098361      7.539200      1.897780
  C     -13.064578     -1.041184      3.031291
  C     -12.165969     -0.486178      4.119062
  O     -12.491003     -0.570705      5.301506
  C     -10.885297      0.164056      3.715626
  C     -10.376700      0.069912      2.407324
  C      -9.175483      0.685179      2.073127
  C      -8.475867      1.388480      3.053135
  F      -7.353628      2.020208      2.668739
  C      -8.940130      1.499166      4.376250
  C      -8.224241      2.236258      5.473753
  O      -8.878806      2.837216      6.334477
  N      -6.842238      2.141643      5.409451
  C      -6.183778      2.486288      6.489105
  C     -10.161481      0.887212      4.672670
  H      -6.563461      4.910821     -1.388636
  H      -4.956706      5.636724     -1.161463
  H      -5.166560      4.179284     -2.205283
  H      -6.963785      2.546547     -1.854586
  H      -7.653485      0.147753     -1.783543
  H      -3.725304     -1.624885      4.099841
  H      -4.488303      1.893201      1.611220
  H      -8.050933     10.645294      0.029870
  H      -6.606457     10.611983     -0.997077
  H      -8.111336      9.833125     -1.573293
  H      -5.972007     10.888986      1.261024
  H      -4.708635     10.829062      3.408364
  H      -4.405958      3.940340      4.172902
  H      -6.489044      6.608153      1.486123
  H     -14.010559     -1.367351      3.478005
  H     -12.583803     -1.904047      2.541824
  H     -13.256254     -0.289898      2.250287
  H     -10.918445     -0.485320      1.640054
  H      -8.766935      0.640375      1.062037
  H      -6.710615      2.733806      7.429679
  H     -10.556993      0.974096      5.685982
  N      -2.662166      2.188635      3.290175
  H      -2.149493      2.078606      2.409883
88
Coordinates from ORCA-job orca E -6669.390779138724
  N      -3.552739      0.221600      5.024396
  Mo     -3.607370      2.333246      4.730865
  N      -4.912540      2.548293      6.450757
  C      -4.228054      2.991996      7.660890
  C      -2.950604      2.176908      7.849336
  N      -2.180698      1.985126      6.568109
  C      -1.674871      0.581071      6.468369
  C      -2.845932     -0.340515      6.155602
  C      -1.073896      2.979332      6.421760
  C      -1.637100      4.365124      6.084881
  N      -2.771629      4.113148      5.235377
  H      -2.493061     -1.363416      5.947581
  H      -3.517441     -0.400227      7.029817
  H      -0.950857      0.556592      5.643221
  H      -1.163916      0.293834      7.402750
  H      -1.945695      4.919771      6.986042
  H      -0.883198      4.969848      5.556422
  H      -0.472351      3.002940      7.344581
  H      -0.443196      2.630580      5.594111
  H      -4.860761      2.864281      8.555438
  H      -3.990510      4.067472      7.589646
  H      -3.213944      1.180541      8.221763
  H      -2.291156      2.649507      8.595126
  C      -5.107195      4.820648     -1.232876
  C      -4.978526      3.910040     -0.032704
  O      -4.498156      4.319575      1.023096
  C      -5.451413      2.496487     -0.156344
  C      -6.292032      2.061704     -1.194128
  C      -6.744829      0.745684     -1.223460
  C      -6.352413     -0.136896     -0.217508
  F      -6.845022     -1.390405     -0.276650
  C      -5.516440      0.255175      0.839895
  C      -5.109525     -0.648846      1.968946
  O      -5.166067     -1.878502      1.894222
  N      -4.646542      0.086493      3.051629
  C      -4.016942     -0.526592      4.027059
  C      -5.085396      1.584659      0.834228
  C      -7.356006     10.120680     -0.787791
  C      -6.973974      8.795099     -0.164478
  O      -7.249234      7.738385     -0.724671
  C      -6.254961      8.806141      1.144178
  C      -5.749544      9.989057      1.711122
  C      -5.065235      9.954954      2.920527
  C      -4.881323      8.732819      3.561491
  F      -4.239343      8.749006      4.748637
  C      -5.372694      7.529571      3.035876
  C      -5.206844      6.175002      3.652837
  O      -6.051345      5.301638      3.478412
  N      -4.008518      6.000432      4.367502
  C      -3.694371      4.762646      4.598932
  C      -6.067561      7.597798      1.823784
  C     -13.125489     -1.326346      3.373501
  C     -12.198878     -0.724226      4.410663
  O     -12.462516     -0.813118      5.606347
  C     -10.969329     -0.023980      3.942480
  C     -10.528171     -0.096574      2.610161
  C      -9.371270      0.563840      2.215148
  C      -8.648132      1.293007      3.156993
  F      -7.566858      1.962266      2.718772
  C      -9.047362      1.386011      4.500028
  C      -8.305656      2.154180      5.557721
  O      -8.937768      2.717309      6.457587
  N      -6.927796      2.111873      5.423824
  C      -6.243868      2.474160      6.484022
  C     -10.224710      0.727394      4.859817
  H      -6.161181      5.103480     -1.380803
  H      -4.536627      5.736651     -1.049757
  H      -4.765169      4.329342     -2.154789
  H      -6.608393      2.750726     -1.977965
  H      -7.406931      0.385751     -2.011330
  H      -3.844687     -1.617017      4.049599
  H      -4.453150      1.924450      1.652496
  H      -7.920834     10.746419     -0.081204
  H      -6.454877     10.687606     -1.070168
  H      -7.956801      9.934560     -1.684070
  H      -5.884469     10.946488      1.207837
  H      -4.673199     10.860560      3.383564
  H      -4.492258      3.978665      4.120194
  H      -6.458341      6.673929      1.397757
  H     -14.031028     -1.688573      3.871390
  H     -12.634627     -2.170625      2.863996
  H     -13.389892     -0.592787      2.597991
  H     -11.087923     -0.671849      1.872574
  H      -9.016411      0.535226      1.185222
  H      -6.746918      2.706759      7.440634
  H     -10.569441      0.799380      5.892131
  N      -2.823978      2.201828      3.168300
  H      -2.373024      2.097252      2.254177
88
Coordinates from ORCA-job orca E -6669.394411541497
  N      -3.543799      0.277039      5.026284
  Mo     -3.578472      2.392196      4.746450
  N      -4.913911      2.577795      6.462772
  C      -4.252601      3.005586      7.687690
  C      -2.982431      2.183616      7.888354
  N      -2.194960      2.009850      6.619460
  C      -1.682821      0.611429      6.500858
  C      -2.846918     -0.305419      6.152404
  C      -1.088383      3.006727      6.506114
  C      -1.644509      4.396727      6.187551
  N      -2.760355      4.163819      5.306813
  H      -2.491713     -1.323911      5.929071
  H      -3.528196     -0.383114      7.017591
  H      -0.946799      0.605190      5.686358
  H      -1.184632      0.309468      7.436911
  H      -1.973497      4.932387      7.092663
  H      -0.876804      5.011541      5.692038
  H      -0.498157      3.016854      7.436631
  H      -0.444875      2.672392      5.682462
  H      -4.901585      2.865081      8.568392
  H      -4.012913      4.081526      7.636546
  H      -3.256862      1.182837      8.239875
  H      -2.330665      2.639521      8.650614
  C      -5.603566      4.777540     -1.296578
  C      -5.322801      3.887719     -0.108862
  O      -4.757504      4.328410      0.890882
  C      -5.751444      2.457155     -0.170720
  C      -6.622169      1.961144     -1.154708
  C      -7.019387      0.627968     -1.127460
  C      -6.541746     -0.210175     -0.120212
  F      -6.977758     -1.485598     -0.126422
  C      -5.677510      0.244269      0.887367
  C      -5.175824     -0.619765      2.011132
  O      -5.215634     -1.850736      1.967341
  N      -4.687411      0.139234      3.067195
  C      -4.030166     -0.463554      4.032040
  C      -5.306539      1.589631      0.827436
  C      -7.023915     10.190145     -0.865315
  C      -6.702637      8.868617     -0.202624
  O      -6.980802      7.808132     -0.754255
  C      -6.037248      8.886421      1.133853
  C      -5.535547     10.067761      1.707005
  C      -4.900125     10.037341      2.942762
  C      -4.762151      8.820463      3.604686
  F      -4.165540      8.839349      4.815080
  C      -5.253134      7.619945      3.073429
  C      -5.136201      6.271427      3.710646
  O      -5.986110      5.408897      3.508937
  N      -3.966939      6.078769      4.461360
  C      -3.667249      4.833462      4.667474
  C      -5.897624      7.684520      1.834282
  C     -12.920420     -1.566432      3.259110
  C     -12.023149     -0.949094      4.311692
  O     -12.265075     -1.104994      5.504880
  C     -10.847168     -0.151545      3.861937
  C     -10.429157     -0.124793      2.521089
  C      -9.321240      0.623705      2.144864
  C      -8.623260      1.341754      3.112866
  F      -7.588162      2.093312      2.696055
  C      -9.001033      1.338595      4.464026
  C      -8.285890      2.091507      5.551476
  O      -8.935326      2.574905      6.484679
  N      -6.910263      2.121114      5.405443
  C      -6.240347      2.483892      6.476850
  C     -10.130358      0.593204      4.806297
  H      -6.676486      5.019589     -1.342894
  H      -5.053698      5.716192     -1.176743
  H      -5.333896      4.290237     -2.242987
  H      -7.003625      2.613914     -1.939255
  H      -7.702655      0.219630     -1.871217
  H      -3.867119     -1.555039      4.056461
  H      -4.670711      1.983144      1.615535
  H      -7.602113     10.843014     -0.196482
  H      -6.098722     10.729450     -1.118739
  H      -7.590035     10.000215     -1.782299
  H      -5.635035     11.020004      1.188024
  H      -4.511558     10.941009      3.410446
  H      -4.464263      4.075804      4.156728
  H      -6.285751      6.762208      1.403378
  H     -13.792016     -2.009016      3.751088
  H     -12.382087     -2.352192      2.707710
  H     -13.243910     -0.820711      2.519655
  H     -10.968089     -0.691290      1.762858
  H      -8.987372      0.672907      1.110025
  H      -6.755874      2.682359      7.433855
  H     -10.458631      0.588824      5.845917
  N      -2.833444      2.299509      3.160288
  H      -2.412456      2.220997      2.231170
88
Coordinates from ORCA-job orca E -6669.396325667082
  N      -3.571769      0.292828      5.106944
  Mo     -3.565146      2.392201      4.753479
  N      -4.887915      2.642637      6.479009
  C      -4.217868      3.096742      7.689355
  C      -2.960263      2.259503      7.910207
  N      -2.184251      2.038218      6.642965
  C      -1.690950      0.632433      6.555992
  C      -2.870228     -0.273823      6.239242
  C      -1.063356      3.013634      6.493392
  C      -1.599710      4.401795      6.144885
  N      -2.721436      4.163502      5.272399
  H      -2.531838     -1.302146      6.035997
  H      -3.544388     -0.322916      7.112590
  H      -0.961993      0.595278      5.735666
  H      -1.189262      0.345583      7.495058
  H      -1.919943      4.963265      7.037268
  H      -0.822357      4.993900      5.636484
  H      -0.460785      3.041551      7.416082
  H      -0.432388      2.648953      5.672689
  H      -4.866899      2.991360      8.574965
  H      -3.962301      4.166904      7.607549
  H      -3.253395      1.273721      8.289735
  H      -2.296021      2.722415      8.657560
  C      -5.862241      4.505703     -1.412765
  C      -5.531237      3.685754     -0.189229
  O      -4.934492      4.185954      0.762891
  C      -5.951042      2.250920     -0.157531
  C      -6.820393      1.687194     -1.106580
  C      -7.203967      0.354228     -0.997217
  C      -6.711424     -0.418541      0.053906
  F      -7.129043     -1.698408      0.121083
  C      -5.846296      0.102908      1.029008
  C      -5.318967     -0.699839      2.186802
  O      -5.359648     -1.932441      2.204600
  N      -4.786761      0.102953      3.189495
  C      -4.108576     -0.471679      4.155527
  C      -5.493917      1.448710      0.890924
  C      -7.023954     10.459272     -0.697259
  C      -6.714623      9.103285     -0.101842
  O      -7.048977      8.073418     -0.681384
  C      -5.994557      9.048538      1.206047
  C      -5.456437     10.196522      1.813978
  C      -4.780401     10.102667      3.025045
  C      -4.638506      8.855530      3.627846
  F      -4.005820      8.813525      4.819067
  C      -5.160827      7.684891      3.058412
  C      -5.047754      6.311036      3.640170
  O      -5.924050      5.473524      3.441897
  N      -3.889710      6.091782      4.401860
  C      -3.619881      4.841226      4.625585
  C      -5.844746      7.812825      1.844835
  C     -12.701353     -1.624963      2.985463
  C     -11.853576     -1.016547      4.083390
  O     -12.112856     -1.233833      5.264520
  C     -10.702901     -0.151611      3.693415
  C     -10.270106     -0.035062      2.361212
  C      -9.186764      0.774346      2.041927
  C      -8.527033      1.461960      3.058037
  F      -7.514690      2.271989      2.697814
  C      -8.920546      1.370463      4.402432
  C      -8.245982      2.088558      5.540057
  O      -8.927579      2.519160      6.478226
  N      -6.869770      2.163774      5.412295
  C      -6.213259      2.545060      6.488078
  C     -10.026391      0.566870      4.687688
  H      -6.938955      4.734985     -1.434933
  H      -5.320172      5.455344     -1.364918
  H      -5.619026      3.969500     -2.340332
  H      -7.212757      2.287669     -1.927405
  H      -7.887395     -0.104836     -1.711408
  H      -3.971790     -1.565737      4.218615
  H      -4.867054      1.898654      1.656782
  H      -7.555683     11.100046      0.020722
  H      -6.094105     10.983027     -0.967340
  H      -7.632455     10.322219     -1.596843
  H      -5.563333     11.173335      1.343186
  H      -4.365620     10.980069      3.520636
  H      -4.437590      4.103466      4.136617
  H      -6.260613      6.915457      1.386794
  H     -13.561794     -2.127147      3.439357
  H     -12.117189     -2.360683      2.411348
  H     -13.044318     -0.861603      2.272641
  H     -10.778390     -0.578490      1.565102
  H      -8.844130      0.894493      1.014810
  H      -6.740078      2.757922      7.436001
  H     -10.367558      0.493323      5.720889
  N      -2.908891      2.259575      3.147585
  H      -2.546521      2.163764      2.196293
88
Coordinates from ORCA-job orca E -6669.398935250226
  N      -3.576487      0.313817      5.088069
  Mo     -3.572168      2.405765      4.738435
  N      -4.895769      2.639283      6.474049
  C      -4.229223      3.096572      7.684685
  C      -2.970713      2.260468      7.906237
  N      -2.195429      2.046455      6.639262
  C      -1.696887      0.644858      6.541368
  C      -2.871208     -0.263167      6.214653
  C      -1.078017      3.025752      6.493410
  C      -1.621669      4.413550      6.158203
  N      -2.739084      4.174272      5.280170
  H      -2.525349     -1.286206      5.997651
  H      -3.546365     -0.329416      7.086500
  H      -0.968402      0.616548      5.719926
  H      -1.193656      0.349667      7.477256
  H      -1.950215      4.964250      7.054201
  H      -0.845102      5.016390      5.660892
  H      -0.468406      3.051022      7.411957
  H      -0.448774      2.671482      5.666584
  H      -4.879704      2.987722      8.568983
  H      -3.977919      4.167606      7.604703
  H      -3.266997      1.273341      8.281361
  H      -2.307845      2.719363      8.657523
  C      -5.881439      4.531855     -1.423761
  C      -5.519750      3.701405     -0.216128
  O      -4.903149      4.195245      0.726403
  C      -5.933637      2.263759     -0.188919
  C      -6.762959      1.686708     -1.166072
  C      -7.136794      0.350064     -1.064828
  C      -6.674826     -0.414415      0.005648
  F      -7.081256     -1.697907      0.060834
  C      -5.848986      0.119654      1.009271
  C      -5.338433     -0.678671      2.176892
  O      -5.393469     -1.911309      2.204407
  N      -4.810785      0.126193      3.181337
  C      -4.136340     -0.448999      4.146855
  C      -5.507536      1.469965      0.880590
  C      -6.895925     10.475978     -0.754630
  C      -6.618111      9.123715     -0.135888
  O      -6.947772      8.089965     -0.711963
  C      -5.931206      9.076673      1.191253
  C      -5.410132     10.227877      1.808245
  C      -4.765446     10.139956      3.037093
  C      -4.637006      8.895691      3.649458
  F      -4.036632      8.861786      4.857235
  C      -5.144356      7.721314      3.071279
  C      -5.049941      6.350230      3.662845
  O      -5.917393      5.510587      3.431835
  N      -3.902712      6.119024      4.437455
  C      -3.638442      4.862646      4.641996
  C      -5.796919      7.843765      1.839580
  C     -12.710200     -1.726434      3.058346
  C     -11.845744     -1.125721      4.147440
  O     -12.063542     -1.380142      5.330117
  C     -10.728694     -0.220702      3.746910
  C     -10.353782     -0.038299      2.404199
  C      -9.300447      0.807546      2.077186
  C      -8.611039      1.462756      3.095065
  F      -7.621700      2.299551      2.731717
  C      -8.949832      1.310438      4.448157
  C      -8.253204      2.003550      5.588225
  O      -8.917726      2.384264      6.561014
  N      -6.882843      2.118918      5.423098
  C      -6.217798      2.509525      6.491709
  C     -10.027652      0.471962      4.742995
  H      -6.961017      4.750841     -1.421471
  H      -5.346935      5.486317     -1.377649
  H      -5.652134      4.008140     -2.362499
  H      -7.131722      2.279302     -2.003990
  H      -7.790817     -0.118548     -1.800730
  H      -4.006883     -1.544433      4.209600
  H      -4.915959      1.930634      1.669400
  H      -7.442049     11.129925     -0.059035
  H      -5.952503     10.986860     -1.003062
  H      -7.479943     10.335045     -1.670180
  H      -5.506038     11.203068      1.330494
  H      -4.364863     11.020588      3.539683
  H      -4.455436      4.144665      4.145009
  H      -6.199663      6.943511      1.374186
  H     -13.542527     -2.265576      3.523215
  H     -12.123584     -2.428849      2.445538
  H     -13.096319     -0.952497      2.379203
  H     -10.883403     -0.558336      1.605688
  H      -9.003135      0.978543      1.042603
  H      -6.742885      2.710174      7.443677
  H     -10.327525      0.350985      5.784670
  N      -2.975763      2.298171      3.109128
  H      -2.658883      2.225622      2.139387
88
Coordinates from ORCA-job orca E -6669.400946497767
  N      -3.611515      0.335006      5.094194
  Mo     -3.607286      2.412241      4.749037
  N      -4.894023      2.647189      6.512487
  C      -4.208196      3.101926      7.713557
  C      -2.947853      2.260597      7.913498
  N      -2.195644      2.046743      6.633225
  C      -1.705818      0.644795      6.519136
  C      -2.887643     -0.257122      6.204665
  C      -1.076373      3.020396      6.467681
  C      -1.622776      4.410873      6.146339
  N      -2.754784      4.170462      5.288124
  H      -2.544425     -1.276734      5.967754
  H      -3.550182     -0.335879      7.085319
  H      -0.992994      0.616794      5.683698
  H      -1.187093      0.336612      7.442710
  H      -1.938571      4.959438      7.048326
  H      -0.853543      5.016143      5.640292
  H      -0.442615      3.041750      7.370271
  H      -0.467375      2.668464      5.624515
  H      -4.846356      2.994782      8.607185
  H      -3.956503      4.172177      7.629865
  H      -3.246519      1.274652      8.291235
  H      -2.272867      2.713880      8.657664
  C      -5.989592      4.628857     -1.305126
  C      -5.571399      3.761604     -0.141146
  O      -4.891038      4.222136      0.773107
  C      -6.015510      2.331389     -0.117980
  C      -6.856631      1.772811     -1.096155
  C      -7.255111      0.442391     -1.000721
  C      -6.810478     -0.335012      0.067107
  F      -7.245634     -1.608272      0.117476
  C      -5.974458      0.180990      1.074166
  C      -5.477045     -0.630049      2.237377
  O      -5.572925     -1.860809      2.272253
  N      -4.903101      0.162255      3.227609
  C      -4.216965     -0.423748      4.175434
  C      -5.604232      1.525148      0.949984
  C      -6.758085     10.345145     -0.892467
  C      -6.522556      9.019152     -0.203169
  O      -6.859476      7.964294     -0.735569
  C      -5.863862      9.023166      1.140590
  C      -5.339849     10.192087      1.720969
  C      -4.718135     10.145700      2.964523
  C      -4.614391      8.925717      3.629095
  F      -4.033821      8.934827      4.846447
  C      -5.129346      7.735081      3.089121
  C      -5.063952      6.385342      3.730871
  O      -5.935615      5.548663      3.499935
  N      -3.910880      6.140494      4.493052
  C      -3.662887      4.875793      4.676070
  C      -5.758986      7.816822      1.842078
  C     -12.529660     -1.863434      2.925887
  C     -11.692229     -1.278095      4.044061
  O     -11.880360     -1.616451      5.211030
  C     -10.634675     -0.284160      3.691260
  C     -10.299359      0.018965      2.359341
  C      -9.300430      0.944743      2.079382
  C      -8.624264      1.556672      3.132628
  F      -7.684845      2.468092      2.818010
  C      -8.925963      1.286914      4.475922
  C      -8.242652      1.932080      5.651260
  O      -8.906877      2.202907      6.661591
  N      -6.879352      2.104219      5.478115
  C      -6.212276      2.491757      6.546950
  C      -9.951670      0.370703      4.725215
  H      -7.066055      4.855997     -1.234884
  H      -5.441933      5.576953     -1.266941
  H      -5.820316      4.128658     -2.269629
  H      -7.214521      2.374308     -1.933057
  H      -7.918219     -0.010898     -1.738950
  H      -4.109140     -1.521833      4.238557
  H      -5.002895      1.971273      1.741472
  H      -7.309610     11.041011     -0.242467
  H      -5.797591     10.825139     -1.139569
  H      -7.321898     10.172108     -1.815680
  H      -5.412898     11.148753      1.202034
  H      -4.314490     11.041681      3.437957
  H      -4.493573      4.185045      4.193459
  H      -6.163728      6.902778      1.404615
  H     -13.321194     -2.483700      3.361103
  H     -11.905522     -2.486702      2.265458
  H     -12.972996     -1.073572      2.301374
  H     -10.816789     -0.468147      1.531844
  H      -9.035398      1.209226      1.055004
  H      -6.736061      2.674941      7.503609
  H     -10.222893      0.155875      5.759817
  N      -3.103620      2.320272      3.082196
  H      -2.858064      2.272274      2.089764
88
Coordinates from ORCA-job orca E -6669.403067827063
  N      -3.619107      0.372496      5.090583
  Mo     -3.615167      2.432646      4.744441
  N      -4.894593      2.679327      6.509326
  C      -4.212172      3.137454      7.710483
  C      -2.954798      2.291933      7.917797
  N      -2.200529      2.072141      6.641178
  C      -1.717340      0.670158      6.526688
  C      -2.898686     -0.227635      6.203318
  C      -1.076996      3.039221      6.475017
  C      -1.620624      4.430308      6.147931
  N      -2.750091      4.182052      5.289309
  H      -2.551764     -1.243992      5.957993
  H      -3.567379     -0.315860      7.078132
  H      -1.003105      0.639559      5.692409
  H      -1.202459      0.352281      7.449349
  H      -1.941604      4.982076      7.046392
  H      -0.850195      5.035624      5.643882
  H      -0.438795      3.059839      7.374640
  H      -0.471513      2.685412      5.629869
  H      -4.855315      3.037165      8.601353
  H      -3.958264      4.206340      7.620907
  H      -3.262253      1.309155      8.297228
  H      -2.283344      2.744359      8.665739
  C      -6.218697      4.551615     -1.307515
  C      -5.736766      3.696100     -0.158420
  O      -5.045832      4.177575      0.736489
  C      -6.135037      2.251799     -0.122425
  C      -6.935545      1.649005     -1.107992
  C      -7.291598      0.307164     -0.999234
  C      -6.848030     -0.437345      0.091526
  F      -7.245256     -1.721262      0.154469
  C      -6.048818      0.123528      1.106344
  C      -5.543371     -0.652266      2.288137
  O      -5.638063     -1.881567      2.360341
  N      -4.949147      0.166594      3.246576
  C      -4.246963     -0.399316      4.192603
  C      -5.719343      1.476580      0.967067
  C      -6.620081     10.429589     -0.887990
  C      -6.416684      9.100963     -0.193671
  O      -6.766827      8.050811     -0.726358
  C      -5.772199      9.096187      1.157623
  C      -5.242138     10.256903      1.748580
  C      -4.631703     10.197674      2.997440
  C      -4.544872      8.973516      3.656904
  F      -3.971378      8.969215      4.877142
  C      -5.068915      7.791405      3.106844
  C      -5.019626      6.436984      3.738912
  O      -5.911847      5.619654      3.512700
  N      -3.877711      6.176026      4.513580
  C      -3.653765      4.903228      4.683760
  C      -5.687118      7.886067      1.855231
  C     -12.419530     -1.950500      2.839950
  C     -11.599120     -1.371720      3.973763
  O     -11.764381     -1.758137      5.129022
  C     -10.582597     -0.325659      3.649902
  C     -10.283300      0.052765      2.328529
  C      -9.319413      1.022911      2.076893
  C      -8.640937      1.601133      3.147183
  F      -7.725868      2.546676      2.862874
  C      -8.910502      1.261117      4.480246
  C      -8.225247      1.874684      5.669965
  O      -8.877796      2.070925      6.705069
  N      -6.871678      2.097224      5.481204
  C      -6.209169      2.498553      6.546953
  C      -9.902606      0.301531      4.702890
  H      -7.302548      4.728631     -1.208532
  H      -5.711618      5.522230     -1.279790
  H      -6.053155      4.064552     -2.279486
  H      -7.295110      2.223276     -1.962970
  H      -7.922718     -0.179737     -1.744160
  H      -4.148638     -1.496512      4.278214
  H      -5.150472      1.953733      1.763745
  H      -7.169381     11.134673     -0.245958
  H      -5.647373     10.891692     -1.121497
  H      -7.174077     10.266113     -1.818908
  H      -5.299594     11.216952      1.233783
  H      -4.222383     11.087354      3.477972
  H      -4.488056      4.238505      4.201876
  H      -6.095842      6.978095      1.408846
  H     -13.180148     -2.621479      3.254750
  H     -11.772641     -2.519469      2.152921
  H     -12.902710     -1.156970      2.250423
  H     -10.799816     -0.410019      1.486628
  H      -9.081474      1.343915      1.062317
  H      -6.738018      2.671317      7.502847
  H     -10.148028      0.028764      5.730196
  N      -3.159765      2.353744      3.058648
  H      -2.961800      2.334168      2.054503
88
Coordinates from ORCA-job orca E -6669.405090103099
  N      -3.636633      0.403480      5.101394
  Mo     -3.648057      2.446649      4.752857
  N      -4.894298      2.712641      6.530417
  C      -4.202028      3.177685      7.722820
  C      -2.944241      2.329720      7.925148
  N      -2.200856      2.099287      6.644985
  C      -1.725885      0.696312      6.531033
  C      -2.909587     -0.199279      6.212204
  C      -1.075749      3.059170      6.460943
  C      -1.619525      4.448688      6.124357
  N      -2.758375      4.190059      5.281613
  H      -2.561131     -1.212927      5.958872
  H      -3.576396     -0.293204      7.087145
  H      -1.017178      0.660946      5.692273
  H      -1.206525      0.373159      7.449353
  H      -1.932656      5.009657      7.020119
  H      -0.854618      5.049438      5.607153
  H      -0.425489      3.082243      7.351528
  H      -0.483503      2.697000      5.609837
  H      -4.839542      3.086246      8.618346
  H      -3.946862      4.245139      7.621030
  H      -3.252609      1.350421      8.312541
  H      -2.268260      2.785458      8.666936
  C      -6.486805      4.484333     -1.248546
  C      -5.932043      3.635434     -0.127138
  O      -5.220161      4.130801      0.743509
  C      -6.288929      2.180276     -0.082680
  C      -7.070853      1.546581     -1.062633
  C      -7.389455      0.195920     -0.942556
  C      -6.930527     -0.525177      0.157222
  F      -7.293888     -1.817668      0.232877
  C      -6.145728      0.067773      1.165749
  C      -5.618751     -0.680371      2.354344
  O      -5.731736     -1.903916      2.470002
  N      -5.004203      0.161274      3.282498
  C      -4.286301     -0.384452      4.227204
  C      -5.850924      1.426351      1.011901
  C      -6.482168     10.477933     -0.906852
  C      -6.323647      9.152118     -0.195688
  O      -6.704629      8.107462     -0.716952
  C      -5.684738      9.144074      1.157627
  C      -5.127802     10.295979      1.740369
  C      -4.523056     10.231638      2.991579
  C      -4.467992      9.011155      3.660773
  F      -3.896071      8.999199      4.881566
  C      -5.020458      7.839097      3.120012
  C      -5.003217      6.488896      3.762479
  O      -5.918959      5.694971      3.546760
  N      -3.860743      6.207129      4.531640
  C      -3.663215      4.926366      4.691764
  C      -5.632459      7.938308      1.865981
  C     -12.247308     -2.010848      2.648812
  C     -11.463363     -1.458240      3.820750
  O     -11.622280     -1.912141      4.951519
  C     -10.489176     -0.355491      3.563592
  C     -10.208704      0.116353      2.268641
  C      -9.281857      1.134812      2.077190
  C      -8.619222      1.665316      3.180983
  F      -7.732680      2.653336      2.955931
  C      -8.872221      1.233239      4.490292
  C      -8.197290      1.794320      5.710383
  O      -8.845393      1.910547      6.759449
  N      -6.857487      2.083717      5.518997
  C      -6.203867      2.503926      6.581994
  C      -9.829432      0.227903      4.653584
  H      -7.572958      4.610890     -1.109625
  H      -6.020303      5.474646     -1.226975
  H      -6.336670      4.016567     -2.232302
  H      -7.444968      2.101843     -1.923424
  H      -8.004118     -0.314986     -1.684592
  H      -4.187722     -1.479186      4.334227
  H      -5.294139      1.923314      1.803115
  H      -7.014052     11.205852     -0.276231
  H      -5.494351     10.907048     -1.138340
  H      -7.034916     10.321809     -1.839424
  H      -5.159427     11.252881      1.218274
  H      -4.093214     11.114704      3.465553
  H      -4.510856      4.283020      4.223758
  H      -6.062268      7.037435      1.425946
  H     -12.978571     -2.738880      3.016587
  H     -11.567648     -2.508378      1.938934
  H     -12.763443     -1.209195      2.100057
  H     -10.710449     -0.310516      1.399782
  H      -9.058140      1.526505      1.085022
  H      -6.731405      2.663785      7.540441
  H     -10.060606     -0.118943      5.661474
  N      -3.259246      2.378019      3.053682
  H      -3.121716      2.389059      2.039669
88
Coordinates from ORCA-job orca E -6669.407025780139
  N      -3.666920      0.434061      5.086321
  Mo     -3.698896      2.465012      4.742546
  N      -4.925258      2.747977      6.518222
  C      -4.232837      3.217593      7.708463
  C      -2.977119      2.366337      7.916905
  N      -2.230335      2.126705      6.641694
  C      -1.762440      0.722793      6.530915
  C      -2.944508     -0.170581      6.201922
  C      -1.102318      3.079198      6.452126
  C      -1.641146      4.466566      6.099593
  N      -2.782626      4.201731      5.262395
  H      -2.592708     -1.181511      5.943848
  H      -3.618021     -0.269321      7.070408
  H      -1.049015      0.684826      5.696407
  H      -1.248997      0.394467      7.450597
  H      -1.952267      5.037399      6.989980
  H      -0.876659      5.060370      5.574569
  H      -0.451690      3.103229      7.341854
  H      -0.514470      2.706968      5.602266
  H      -4.872357      3.133009      8.602676
  H      -3.974015      4.283515      7.598668
  H      -3.288170      1.389195      8.307347
  H      -2.303872      2.825053      8.659343
  C      -6.638291      4.500359     -1.161435
  C      -6.035305      3.631965     -0.081266
  O      -5.289414      4.111511      0.770201
  C      -6.388022      2.175662     -0.047003
  C      -7.171562      1.544023     -1.025830
  C      -7.486203      0.191881     -0.909010
  C      -7.025571     -0.530614      0.189540
  F      -7.385890     -1.823841      0.264620
  C      -6.237755      0.061399      1.195542
  C      -5.711444     -0.681868      2.387582
  O      -5.859138     -1.896420      2.535667
  N      -5.061514      0.166113      3.288033
  C      -4.330135     -0.366763      4.228052
  C      -5.942762      1.418754      1.040381
  C      -6.292603     10.555875     -0.944300
  C      -6.190424      9.231603     -0.219921
  O      -6.609307      8.198771     -0.734869
  C      -5.560965      9.211848      1.136344
  C      -4.966792     10.347916      1.712810
  C      -4.371739     10.272176      2.967696
  C      -4.362644      9.055511      3.645203
  F      -3.796960      9.028629      4.869012
  C      -4.952922      7.900685      3.111809
  C      -4.981005      6.554427      3.763274
  O      -5.929407      5.796143      3.565923
  N      -3.843411      6.244876      4.530607
  C      -3.679535      4.956335      4.681503
  C      -5.555508      8.010913      1.854495
  C     -12.084949     -2.213712      2.600461
  C     -11.315776     -1.653408      3.778622
  O     -11.426504     -2.155576      4.893847
  C     -10.417627     -0.483818      3.546005
  C     -10.204466      0.058504      2.266790
  C      -9.347559      1.139073      2.094753
  C      -8.683424      1.660255      3.201618
  F      -7.864782      2.709133      2.993455
  C      -8.870474      1.157097      4.497427
  C      -8.193413      1.705767      5.722154
  O      -8.809545      1.725522      6.794976
  N      -6.872613      2.064340      5.518550
  C      -6.229499      2.508903      6.578121
  C      -9.761690      0.091192      4.641856
  H      -7.720994      4.601591     -0.984007
  H      -6.186705      5.497013     -1.129598
  H      -6.514907      4.060625     -2.161313
  H      -7.548546      2.100483     -1.884095
  H      -8.098989     -0.318222     -1.652247
  H      -4.231956     -1.458819      4.354981
  H      -5.382180      1.911218      1.829315
  H      -6.801542     11.308400     -0.324551
  H      -5.288006     10.945524     -1.170485
  H      -6.842931     10.413242     -1.879905
  H      -4.961996     11.301057      1.184236
  H      -3.914218     11.143099      3.436998
  H      -4.539930      4.332593      4.218028
  H      -6.016019      7.123245      1.419907
  H     -12.758623     -3.001980      2.952000
  H     -11.387647     -2.636759      1.860745
  H     -12.664238     -1.429329      2.092172
  H     -10.705725     -0.360439      1.394502
  H      -9.177605      1.584742      1.115513
  H      -6.754093      2.656150      7.539384
  H      -9.941605     -0.311933      5.639025
  N      -3.348993      2.413071      3.039078
  H      -3.258289      2.463202      2.021398
88
Coordinates from ORCA-job orca E -6669.408940555845
  N      -3.661042      0.443747      5.085255
  Mo     -3.739949      2.466454      4.743840
  N      -4.935410      2.754584      6.525119
  C      -4.237979      3.234950      7.708251
  C      -2.974959      2.392122      7.914716
  N      -2.230543      2.150619      6.640000
  C      -1.755531      0.750608      6.530286
  C      -2.929808     -0.152387      6.201019
  C      -1.111235      3.107558      6.434171
  C      -1.660254      4.486302      6.068056
  N      -2.808618      4.207434      5.244355
  H      -2.568318     -1.158718      5.939338
  H      -3.602015     -0.258526      7.069479
  H      -1.041793      0.716759      5.695944
  H      -1.238661      0.425139      7.449038
  H      -1.966637      5.065467      6.954738
  H      -0.904531      5.078201      5.528757
  H      -0.454735      3.142290      7.318960
  H      -0.529075      2.728874      5.583229
  H      -4.871757      3.150989      8.606191
  H      -3.985188      4.301249      7.589602
  H      -3.276158      1.413804      8.310397
  H      -2.302957      2.860136      8.652720
  C      -6.717758      4.522019     -1.051082
  C      -6.085470      3.634055     -0.006512
  O      -5.311314      4.094817      0.830800
  C      -6.440747      2.178488      0.013178
  C      -7.218533      1.552503     -0.973636
  C      -7.530204      0.199070     -0.866344
  C      -7.075452     -0.528891      0.231674
  F      -7.431142     -1.824389      0.297957
  C      -6.294568      0.057233      1.244736
  C      -5.777052     -0.688983      2.440949
  O      -5.953875     -1.894963      2.609790
  N      -5.087204      0.154084      3.316630
  C      -4.335073     -0.369660      4.243320
  C      -6.000452      1.415196      1.096608
  C      -6.204393     10.533647     -0.998269
  C      -6.143309      9.223674     -0.243737
  O      -6.600088      8.194918     -0.734213
  C      -5.508763      9.213663      1.109138
  C      -4.877179     10.343363      1.657682
  C      -4.279344     10.277396      2.911656
  C      -4.303990      9.075860      3.614637
  F      -3.734926      9.056518      4.837657
  C      -4.930568      7.928524      3.109633
  C      -4.993477      6.596191      3.789203
  O      -5.965935      5.863587      3.619743
  N      -3.849488      6.265600      4.536710
  C      -3.707154      4.972504      4.678943
  C      -5.536691      8.029330      1.853476
  C     -12.007431     -2.260705      2.478980
  C     -11.235808     -1.743063      3.674893
  O     -11.307637     -2.314144      4.759267
  C     -10.382004     -0.532068      3.496535
  C     -10.225068      0.099330      2.251384
  C      -9.407177      1.215442      2.126199
  C      -8.723682      1.684012      3.244384
  F      -7.938906      2.766921      3.078139
  C      -8.856330      1.091041      4.509116
  C      -8.159791      1.577225      5.749702
  O      -8.746627      1.517212      6.836594
  N      -6.862828      2.010158      5.538793
  C      -6.230686      2.475775      6.597279
  C      -9.710312     -0.008908      4.608057
  H      -7.797554      4.605764     -0.849681
  H      -6.273568      5.521765     -1.004922
  H      -6.611976      4.106820     -2.063086
  H      -7.589954      2.113082     -1.831524
  H      -8.134842     -0.308003     -1.617803
  H      -4.226169     -1.459173      4.381929
  H      -5.444643      1.901706      1.891568
  H      -6.686841     11.316132     -0.395149
  H      -5.189183     10.886431     -1.235256
  H      -6.761492     10.387415     -1.928975
  H      -4.846210     11.284042      1.108909
  H      -3.794429     11.144182      3.359970
  H      -4.579033      4.359124      4.227594
  H      -6.028396      7.147973      1.441197
  H     -12.642016     -3.094858      2.794473
  H     -11.310739     -2.609119      1.701137
  H     -12.627843     -1.471462      2.030810
  H     -10.739584     -0.278510      1.368498
  H      -9.278773      1.726866      1.173454
  H      -6.749646      2.609049      7.562780
  H      -9.847020     -0.481917      5.581018
  N      -3.443831      2.438929      3.030685
  H      -3.411594      2.536043      2.012704
88
Coordinates from ORCA-job orca E -6669.410886250525
  N      -3.672320      0.445108      5.092275
  Mo     -3.792382      2.465781      4.745627
  N      -4.951081      2.766783      6.535153
  C      -4.242106      3.254860      7.708601
  C      -2.975892      2.414289      7.911634
  N      -2.237743      2.165580      6.636261
  C      -1.760392      0.767531      6.529478
  C      -2.931366     -0.140495      6.206469
  C      -1.124406      3.122578      6.407693
  C      -1.677715      4.494064      6.027702
  N      -2.836585      4.209699      5.219452
  H      -2.567302     -1.146218      5.945770
  H      -3.598991     -0.245736      7.079005
  H      -1.047669      0.733127      5.694297
  H      -1.239357      0.446942      7.447832
  H      -1.973214      5.085086      6.910227
  H      -0.927634      5.077978      5.471840
  H      -0.459983      3.169999      7.286182
  H      -0.549977      2.732422      5.556706
  H      -4.867905      3.175846      8.612511
  H      -3.988821      4.319477      7.580178
  H      -3.271072      1.436981      8.315244
  H      -2.300395      2.889143      8.642610
  C      -6.819521      4.529888     -0.934649
  C      -6.159219      3.626304      0.075153
  O      -5.348197      4.069041      0.888175
  C      -6.529800      2.174888      0.092413
  C      -7.318077      1.555865     -0.891589
  C      -7.634388      0.203859     -0.784802
  C      -7.175874     -0.529151      0.308937
  F      -7.533362     -1.825273      0.373501
  C      -6.386819      0.048613      1.318325
  C      -5.865114     -0.700030      2.513543
  O      -6.081847     -1.893436      2.712881
  N      -5.134552      0.137317      3.359258
  C      -4.363532     -0.377330      4.271608
  C      -6.089231      1.406069      1.171103
  C      -6.110627     10.534152     -1.044543
  C      -6.090851      9.238059     -0.264189
  O      -6.589063      8.217583     -0.732350
  C      -5.446600      9.230719      1.083387
  C      -4.773143     10.349051      1.605296
  C      -4.168754     10.288026      2.856428
  C      -4.228448      9.101507      3.582179
  F      -3.653065      9.087566      4.803070
  C      -4.895406      7.965440      3.103759
  C      -4.996179      6.647008      3.809045
  O      -5.992563      5.942565      3.663997
  N      -3.847648      6.285846      4.531533
  C      -3.732436      4.989685      4.669548
  C      -5.508248      8.062299      1.850600
  C     -11.847984     -2.338600      2.331444
  C     -11.098209     -1.840166      3.549028
  O     -11.136834     -2.464853      4.605243
  C     -10.304997     -0.581964      3.426156
  C     -10.198100      0.122026      2.215505
  C      -9.432550      1.278769      2.138410
  C      -8.749492      1.717958      3.268635
  F      -8.009120      2.839239      3.144794
  C      -8.836259      1.053044      4.501541
  C      -8.140849      1.499167      5.757664
  O      -8.695239      1.333853      6.850914
  N      -6.863196      1.989231      5.556082
  C      -6.238389      2.458112      6.618586
  C      -9.638405     -0.087905      4.553786
  H      -7.893959      4.608716     -0.704380
  H      -6.373025      5.528968     -0.885867
  H      -6.740855      4.128637     -1.954792
  H      -7.690066      2.120204     -1.747040
  H      -8.243632     -0.299123     -1.535439
  H      -4.243695     -1.464749      4.420529
  H      -5.527427      1.886878      1.966214
  H      -6.561987     11.345297     -0.455241
  H      -5.085923     10.848498     -1.294236
  H      -6.678100     10.387597     -1.968971
  H      -4.715441     11.277446      1.038045
  H      -3.652830     11.147034      3.284788
  H      -4.619354      4.390148      4.234481
  H      -6.034022      7.190978      1.459217
  H     -12.434177     -3.220245      2.609411
  H     -11.139518     -2.609790      1.533688
  H     -12.513296     -1.563652      1.924422
  H     -10.709688     -0.232775      1.321357
  H      -9.339976      1.842920      1.211350
  H      -6.751536      2.582667      7.587841
  H      -9.736099     -0.618146      5.501663
  N      -3.559118      2.464681      3.023312
  H      -3.590706      2.616458      2.010940
88
Coordinates from ORCA-job orca E -6669.415222117564
  N      -3.670212      0.449417      5.093990
  Mo     -3.827334      2.470548      4.746020
  N      -4.963048      2.774524      6.541651
  C      -4.250657      3.268267      7.710622
  C      -2.981178      2.431279      7.914688
  N      -2.242652      2.180180      6.641494
  C      -1.760470      0.784161      6.535773
  C      -2.926169     -0.128896      6.209284
  C      -1.136166      3.141182      6.400717
  C      -1.694313      4.506317      6.008704
  N      -2.856781      4.218607      5.204925
  H      -2.558080     -1.134095      5.950961
  H      -3.594351     -0.235513      7.081827
  H      -1.043549      0.751913      5.704056
  H      -1.241095      0.465143      7.456107
  H      -1.986851      5.106134      6.886355
  H      -0.945466      5.085406      5.445598
  H      -0.469644      3.202704      7.277401
  H      -0.560652      2.744853      5.553419
  H      -4.873370      3.189877      8.617004
  H      -3.999848      4.332369      7.577443
  H      -3.273155      1.454461      8.322464
  H      -2.307172      2.911003      8.644486
  C      -6.928809      4.522459     -0.872910
  C      -6.234547      3.617171      0.110336
  O      -5.396736      4.058734      0.897267
  C      -6.605615      2.165831      0.135804
  C      -7.396655      1.540194     -0.843466
  C      -7.708589      0.188220     -0.728612
  C      -7.244681     -0.538812      0.366899
  F      -7.597078     -1.836878      0.436246
  C      -6.453916      0.043391      1.371604
  C      -5.929280     -0.697536      2.572014
  O      -6.177664     -1.879852      2.800351
  N      -5.163817      0.133753      3.389373
  C      -4.376115     -0.375923      4.287543
  C      -6.161214      1.401744      1.217264
  C      -6.010785     10.542229     -1.088651
  C      -6.020988      9.258164     -0.288566
  O      -6.541879      8.241912     -0.742731
  C      -5.378946      9.255413      1.060321
  C      -4.682140     10.366183      1.568160
  C      -4.080722     10.309641      2.821371
  C      -4.166684      9.134350      3.563073
  F      -3.592882      9.126301      4.785044
  C      -4.856960      8.005535      3.098385
  C      -4.984967      6.696613      3.818644
  O      -5.999493      6.014537      3.686958
  N      -3.840265      6.311522      4.530660
  C      -3.747431      5.013671      4.664205
  C      -5.466695      8.099117      1.843535
  C     -11.736779     -2.396577      2.212517
  C     -10.987272     -1.931663      3.443203
  O     -10.976065     -2.614286      4.464081
  C     -10.254026     -0.632624      3.377228
  C     -10.218147      0.150897      2.211566
  C      -9.502774      1.341729      2.184889
  C      -8.797811      1.736917      3.317777
  F      -8.101346      2.890345      3.242227
  C      -8.817947      0.995157      4.507792
  C      -8.103372      1.391755      5.769149
  O      -8.613360      1.129606      6.866111
  N      -6.855412      1.951658      5.566480
  C      -6.241304      2.430509      6.630248
  C      -9.570923     -0.180580      4.512977
  H      -7.999140      4.587174     -0.618725
  H      -6.491414      5.526109     -0.828294
  H      -6.868638      4.128454     -1.897567
  H      -7.771917      2.099593     -1.701087
  H      -8.317797     -0.320429     -1.476034
  H      -4.248675     -1.462670      4.439630
  H      -5.600407      1.886765      2.011370
  H      -6.447424     11.372189     -0.513958
  H      -4.979004     10.832619     -1.339730
  H      -6.578415     10.391777     -2.012700
  H      -4.603744     11.285272      0.987598
  H      -3.546995     11.163435      3.238975
  H      -4.641059      4.430108      4.238363
  H      -6.011364      7.234332      1.462878
  H     -12.271924     -3.321617      2.451053
  H     -11.033024     -2.585064      1.386853
  H     -12.448676     -1.634616      1.862968
  H     -10.744662     -0.169723      1.312790
  H      -9.461492      1.964749      1.291824
  H      -6.752344      2.537567      7.602846
  H      -9.614217     -0.772314      5.428007
  N      -3.645022      2.502872      3.017351
  H      -3.729269      2.716567      2.017675
88
Coordinates from ORCA-job orca E -6669.416290140703
  N      -3.668913      0.448843      5.111872
  Mo     -3.841594      2.465545      4.764190
  N      -4.957133      2.774708      6.564507
  C      -4.237787      3.273120      7.727250
  C      -2.965915      2.437193      7.924686
  N      -2.235367      2.182834      6.647663
  C      -1.753881      0.786854      6.544003
  C      -2.921416     -0.126575      6.226014
  C      -1.131135      3.142785      6.393687
  C      -1.692284      4.505712      5.999580
  N      -2.861364      4.214070      5.207263
  H      -2.554643     -1.132689      5.968736
  H      -3.586355     -0.230200      7.101604
  H      -1.040209      0.751414      5.709552
  H      -1.230626      0.469610      7.463021
  H      -1.977554      5.110188      6.876530
  H      -0.948201      5.082014      5.427129
  H      -0.457491      3.209106      7.264811
  H      -0.562035      2.742469      5.543928
  H      -4.854148      3.197033      8.638298
  H      -3.988776      4.336703      7.588524
  H      -3.255143      1.461255      8.336915
  H      -2.288096      2.919382      8.649613
  C      -6.975717      4.507785     -0.860584
  C      -6.260259      3.605262      0.109719
  O      -5.399524      4.047496      0.870836
  C      -6.637418      2.155815      0.153690
  C      -7.430881      1.521313     -0.818383
  C      -7.744312      0.171233     -0.689325
  C      -7.280132     -0.545185      0.412785
  F      -7.633246     -1.842524      0.494080
  C      -6.488104      0.045313      1.411853
  C      -5.964394     -0.687623      2.618433
  O      -6.232748     -1.862073      2.865038
  N      -5.177367      0.137794      3.420309
  C      -4.382929     -0.375097      4.310594
  C      -6.194740      1.402330      1.244152
  C      -6.010009     10.482355     -1.116556
  C      -6.028877      9.212602     -0.293943
  O      -6.563199      8.194000     -0.727403
  C      -5.378596      9.226002      1.051145
  C      -4.667062     10.337618      1.536495
  C      -4.057034     10.294754      2.786342
  C      -4.149231      9.132070      3.547205
  F      -3.565735      9.137876      4.764636
  C      -4.854722      8.003021      3.105278
  C      -4.989231      6.704863      3.844398
  O      -6.016139      6.036579      3.738197
  N      -3.839417      6.311533      4.542630
  C      -3.754796      5.012972      4.675742
  C      -5.473023      8.083563      1.853756
  C     -11.647399     -2.359401      2.083315
  C     -10.894982     -1.935648      3.327028
  O     -10.841250     -2.672786      4.308047
  C     -10.210656     -0.608184      3.322969
  C     -10.233904      0.245465      2.207071
  C      -9.561364      1.461046      2.236013
  C      -8.838557      1.811413      3.372450
  F      -8.184917      2.991461      3.351198
  C      -8.801385      0.999767      4.514969
  C      -8.071716      1.345993      5.782300
  O      -8.552344      1.010127      6.872810
  N      -6.838907      1.940603      5.587849
  C      -6.230831      2.415337      6.656680
  C      -9.514022     -0.200304      4.467340
  H      -8.041118      4.571460     -0.584973
  H      -6.538247      5.512132     -0.828769
  H      -6.936091      4.110395     -1.885206
  H      -7.805018      2.072144     -1.682271
  H      -8.354088     -0.344574     -1.431723
  H      -4.256807     -1.462196      4.462850
  H      -5.634263      1.894559      2.034428
  H      -6.436328     11.326600     -0.554595
  H      -4.976489     10.758671     -1.377284
  H      -6.583407     10.320899     -2.035398
  H      -4.583000     11.246517      0.940385
  H      -3.511317     11.149657      3.186381
  H      -4.652696      4.434517      4.262025
  H      -6.029165      7.218452      1.490360
  H     -12.141550     -3.317456      2.276752
  H     -10.951397     -2.472079      1.237219
  H     -12.394913     -1.607860      1.789239
  H     -10.773055     -0.039308      1.303452
  H      -9.565295      2.137995      1.381694
  H      -6.742290      2.513097      7.630183
  H      -9.512636     -0.846912      5.345603
  N      -3.690445      2.506941      3.032797
  H      -3.800170      2.741952      2.039761
88
Coordinates from ORCA-job orca E -6669.411995401124
  N      -3.663978      0.439029      5.024316
  Mo     -3.844354      2.506361      4.695756
  N      -5.001227      2.780929      6.527234
  C      -4.287977      3.263814      7.719435
  C      -3.005997      2.427037      7.924695
  N      -2.240802      2.190518      6.654615
  C      -1.753148      0.787317      6.537834
  C      -2.915570     -0.134562      6.168210
  C      -1.133417      3.165640      6.429840
  C      -1.697179      4.538588      6.026574
  N      -2.864186      4.270288      5.190881
  H      -2.533264     -1.134233      5.908586
  H      -3.598084     -0.251938      7.028296
  H      -1.020001      0.765933      5.719915
  H      -1.251303      0.458743      7.464573
  H      -2.002267      5.131920      6.904447
  H      -0.939806      5.120090      5.477344
  H      -0.478450      3.227167      7.315386
  H      -0.544212      2.777984      5.587810
  H      -4.916122      3.167682      8.620388
  H      -4.042431      4.331138      7.603485
  H      -3.299222      1.443917      8.316514
  H      -2.344439      2.901592      8.669321
  C      -6.961010      4.507202     -0.829434
  C      -6.246729      3.577569      0.117458
  O      -5.393515      4.002367      0.896928
  C      -6.616864      2.124954      0.112956
  C      -7.401272      1.517484     -0.882948
  C      -7.710089      0.162265     -0.798275
  C      -7.250218     -0.586924      0.283710
  F      -7.598977     -1.886998      0.322158
  C      -6.466579     -0.023824      1.304669
  C      -5.944629     -0.784481      2.494115
  O      -6.206683     -1.965113      2.715316
  N      -5.168198      0.033790      3.308741
  C      -4.355683     -0.439363      4.215685
  C      -6.178189      1.338819      1.180425
  C      -5.882689     10.630919     -1.121633
  C      -5.909642      9.352594     -0.312755
  O      -6.423797      8.334636     -0.769133
  C      -5.292407      9.356900      1.047386
  C      -4.602736     10.468341      1.563126
  C      -4.023581     10.415170      2.827055
  C      -4.124712      9.242748      3.571501
  F      -3.572146      9.237416      4.802876
  C      -4.808983      8.114383      3.098809
  C      -4.951574      6.806615      3.817090
  O      -5.971732      6.134036      3.673510
  N      -3.816703      6.410447      4.540697
  C      -3.742257      5.108846      4.652499
  C      -5.396611      8.204853      1.833781
  C     -11.740480     -2.523576      2.291127
  C     -10.986344     -2.038873      3.511325
  O     -10.939602     -2.722543      4.529623
  C     -10.292113     -0.719464      3.437533
  C     -10.307493      0.072794      2.277583
  C      -9.624807      1.281696      2.241897
  C      -8.901600      1.686919      3.359679
  F      -8.234182      2.853087      3.271503
  C      -8.873192      0.939245      4.545880
  C      -8.145852      1.341613      5.798595
  O      -8.628670      1.047529      6.899183
  N      -6.912400      1.927001      5.582550
  C      -6.287872      2.418259      6.636194
  C      -9.594198     -0.256696      4.559329
  H      -8.028311      4.556995     -0.559685
  H      -6.528667      5.511968     -0.763068
  H      -6.912355      4.143171     -1.865842
  H      -7.772722      2.093277     -1.731227
  H      -8.313140     -0.332264     -1.559921
  H      -4.197207     -1.518800      4.389411
  H      -5.625275      1.807686      1.988539
  H      -6.330010     11.465308     -0.561716
  H      -4.845961     10.919049     -1.354414
  H      -6.432205     10.474050     -2.055481
  H      -4.511835     11.384707      0.980126
  H      -3.495295     11.269256      3.250775
  H      -4.650315      4.556228      4.201880
  H      -5.935987      7.339507      1.447035
  H     -12.241847     -3.466032      2.534653
  H     -11.044722     -2.686428      1.453248
  H     -12.482106     -1.783528      1.956365
  H     -10.847198     -0.256393      1.389875
  H      -9.619784      1.909965      1.351713
  H      -6.784527      2.516896      7.617361
  H      -9.599466     -0.855370      5.470744
  N      -3.663997      2.579008      2.970434
  H      -3.763551      2.837663      1.978865
88
Coordinates from ORCA-job orca E -6669.413969829400
  N      -3.653702      0.446220      5.035908
  Mo     -3.855834      2.505993      4.714834
  N      -4.992300      2.783725      6.548580
  C      -4.272852      3.267295      7.735562
  C      -2.988437      2.432716      7.932389
  N      -2.230486      2.198524      6.658388
  C      -1.741187      0.798028      6.540242
  C      -2.902481     -0.125560      6.177155
  C      -1.127131      3.174296      6.424334
  C      -1.695481      4.544116      6.021326
  N      -2.866967      4.269161      5.196974
  H      -2.518106     -1.123993      5.915882
  H      -3.583060     -0.244341      7.038435
  H      -1.011245      0.777271      5.719433
  H      -1.235147      0.469061      7.464679
  H      -1.995479      5.139935      6.899332
  H      -0.944051      5.125480      5.463924
  H      -0.466261      3.239033      7.305234
  H      -0.543232      2.785424      5.579189
  H      -4.895533      3.171634      8.640276
  H      -4.028756      4.334467      7.616073
  H      -3.277880      1.448845      8.325285
  H      -2.324587      2.908650      8.674242
  C      -7.059697      4.462656     -0.793822
  C      -6.309091      3.537383      0.129002
  O      -5.428742      3.966081      0.875512
  C      -6.674493      2.083718      0.142070
  C      -7.462799      1.462168     -0.841990
  C      -7.759111      0.105004     -0.744231
  C      -7.284000     -0.631868      0.339690
  F      -7.619784     -1.934962      0.389820
  C      -6.497872     -0.053706      1.350505
  C      -5.962283     -0.798834      2.543543
  O      -6.227236     -1.974460      2.786938
  N      -5.172497      0.028107      3.336529
  C      -4.348100     -0.436717      4.235015
  C      -6.222317      1.310215      1.213120
  C      -5.883171     10.577807     -1.135693
  C      -5.919892      9.313199     -0.305738
  O      -6.451592      8.294859     -0.740907
  C      -5.290783      9.331687      1.048918
  C      -4.582595     10.442256      1.540900
  C      -3.992473     10.401417      2.800323
  C      -4.101033      9.241948      3.563861
  F      -3.536815      9.248356      4.789981
  C      -4.803986      8.115236      3.115335
  C      -4.955329      6.819620      3.854167
  O      -5.988694      6.162268      3.736224
  N      -3.813571      6.413543      4.561339
  C      -3.748061      5.110625      4.669675
  C      -5.402421      8.193608      1.854561
  C     -11.650078     -2.460985      2.141459
  C     -10.912358     -2.007452      3.383546
  O     -10.856228     -2.728156      4.375460
  C     -10.246810     -0.671195      3.364439
  C     -10.286799      0.171482      2.241026
  C      -9.629744      1.395051      2.255217
  C      -8.905540      1.763917      3.384912
  F      -8.260474      2.945438      3.344727
  C      -8.853255      0.965114      4.536321
  C      -8.120628      1.324909      5.798780
  O      -8.590273      0.982611      6.891069
  N      -6.895374      1.931012      5.597407
  C      -6.275873      2.412154      6.658085
  C      -9.550679     -0.244405      4.501521
  H      -8.119513      4.499135     -0.493619
  H      -6.635887      5.471820     -0.737835
  H      -7.037218      4.101572     -1.832332
  H      -7.844200      2.027617     -1.692953
  H      -8.362669     -0.400915     -1.498101
  H      -4.182256     -1.514454      4.411817
  H      -5.666436      1.789130      2.013302
  H      -6.316649     11.426467     -0.586188
  H      -4.844561     10.849497     -1.380052
  H      -6.441119     10.412731     -2.063197
  H      -4.485411     11.348314      0.942763
  H      -3.449677     11.255457      3.205677
  H      -4.659658      4.562696      4.231428
  H      -5.956652      7.329535      1.486255
  H     -12.129945     -3.424020      2.344803
  H     -10.947108     -2.573846      1.301211
  H     -12.407992     -1.725871      1.833008
  H     -10.826463     -0.128680      1.342941
  H      -9.644582      2.062817      1.394199
  H      -6.774201      2.502647      7.639047
  H      -9.536184     -0.883632      5.384935
  N      -3.707107      2.589643      2.986707
  H      -3.832697      2.869165      2.003334
88
Coordinates from ORCA-job orca E -6669.415937900989
  N      -3.646715      0.444835      5.055080
  Mo     -3.871123      2.496959      4.735501
  N      -4.983967      2.783445      6.573182
  C      -4.256979      3.269614      7.752815
  C      -2.969997      2.437759      7.940845
  N      -2.221836      2.202850      6.662118
  C      -1.729537      0.804922      6.545124
  C      -2.889717     -0.121798      6.192916
  C      -1.123640      3.179313      6.414136
  C      -1.697228      4.544436      6.007984
  N      -2.873951      4.261503      5.196613
  H      -2.504145     -1.119960      5.932264
  H      -3.565913     -0.239698      7.057678
  H      -1.004140      0.783384      5.720334
  H      -1.217342      0.478771      7.467339
  H      -1.991027      5.145584      6.884517
  H      -0.951850      5.123739      5.440382
  H      -0.455912      3.250971      7.289408
  H      -0.545422      2.786519      5.566932
  H      -4.872768      3.175972      8.662455
  H      -4.014637      4.336493      7.627822
  H      -3.254941      1.454089      8.337517
  H      -2.302065      2.916380      8.677445
  C      -7.135955      4.431050     -0.728969
  C      -6.355536      3.503181      0.165942
  O      -5.452016      3.930032      0.885646
  C      -6.721253      2.050055      0.189141
  C      -7.513560      1.421645     -0.787381
  C      -7.803059      0.063530     -0.682613
  C      -7.317750     -0.667425      0.400963
  F      -7.644920     -1.972575      0.456084
  C      -6.528669     -0.081666      1.405133
  C      -5.980721     -0.817878      2.597676
  O      -6.251044     -1.988639      2.858576
  N      -5.181029      0.014927      3.374233
  C      -4.345660     -0.442414      4.264303
  C      -6.260695      1.282931      1.261112
  C      -5.905143     10.518822     -1.155982
  C      -5.951056      9.268787     -0.304576
  O      -6.506407      8.252661     -0.714950
  C      -5.301295      9.298750      1.040206
  C      -4.568553     10.405599      1.503820
  C      -3.959633     10.375011      2.754644
  C      -4.074170      9.229267      3.537901
  F      -3.490159      9.245203      4.754680
  C      -4.801540      8.107014      3.118082
  C      -4.960650      6.824670      3.878621
  O      -6.010320      6.187878      3.795833
  N      -3.812884      6.408329      4.569146
  C      -3.757898      5.104590      4.678344
  C      -5.418197      8.175264      1.865518
  C     -11.542208     -2.385433      1.971619
  C     -10.825130     -1.967956      3.238212
  O     -10.753510     -2.731233      4.196700
  C     -10.196193     -0.614451      3.283688
  C     -10.269792      0.284693      2.206554
  C      -9.644574      1.522899      2.279288
  C      -8.915988      1.849465      3.419143
  F      -8.297251      3.045902      3.434501
  C      -8.832670      0.994054      4.527007
  C      -8.094221      1.306641      5.798549
  O      -8.549677      0.912455      6.879270
  N      -6.878420      1.935007      5.614435
  C      -6.264570      2.405131      6.682778
  C      -9.500629     -0.229167      4.435916
  H      -8.188326      4.456078     -0.402288
  H      -6.717849      5.442826     -0.675881
  H      -7.136898      4.078586     -1.770856
  H      -7.901657      1.981994     -1.638809
  H      -8.408001     -0.448172     -1.431595
  H      -4.171423     -1.518576      4.442436
  H      -5.701809      1.766575      2.056447
  H      -6.318127     11.383235     -0.615079
  H      -4.865558     10.769964     -1.417982
  H      -6.477747     10.347486     -2.073447
  H      -4.466501     11.300651      0.889926
  H      -3.397333     11.226672      3.138081
  H      -4.674629      4.560451      4.256418
  H      -5.991519      7.314564      1.519021
  H     -11.993759     -3.370889      2.127161
  H     -10.831583     -2.438174      1.131707
  H     -12.320632     -1.659953      1.692536
  H     -10.811438      0.018222      1.298987
  H      -9.686823      2.234995      1.455447
  H      -6.764651      2.486879      7.663492
  H      -9.460455     -0.913361      5.284238
  N      -3.764006      2.586843      3.004451
  H      -3.920750      2.883934      2.029834
88
Coordinates from ORCA-job orca E -6669.417801229757
  N      -3.657217      0.448283      5.073983
  Mo     -3.895817      2.494259      4.759693
  N      -4.977914      2.791322      6.604822
  C      -4.239062      3.275983      7.775815
  C      -2.952023      2.441815      7.950169
  N      -2.218617      2.204003      6.664371
  C      -1.729537      0.806505      6.545485
  C      -2.893440     -0.117851      6.205524
  C      -1.122195      3.176687      6.400572
  C      -1.696343      4.539916      5.994012
  N      -2.881781      4.255384      5.198498
  H      -2.511880     -1.117181      5.943330
  H      -3.563302     -0.233144      7.075486
  H      -1.010850      0.782165      5.714963
  H      -1.210278      0.479757      7.463695
  H      -1.978800      5.146879      6.870328
  H      -0.955964      5.114414      5.415031
  H      -0.445108      3.251718      7.268447
  H      -0.553443      2.778264      5.549651
  H      -4.845657      3.184711      8.691866
  H      -3.995644      4.342067      7.646402
  H      -3.235074      1.459117      8.350566
  H      -2.275879      2.919689      8.679866
  C      -7.237967      4.395310     -0.684131
  C      -6.433451      3.472894      0.194570
  O      -5.513615      3.905116      0.890476
  C      -6.793879      2.019138      0.231532
  C      -7.582259      1.377881     -0.739790
  C      -7.863155      0.018967     -0.623605
  C      -7.373233     -0.700173      0.465947
  F      -7.690044     -2.007538      0.530161
  C      -6.587990     -0.101276      1.465311
  C      -6.031956     -0.823913      2.662331
  O      -6.302422     -1.991078      2.939193
  N      -5.217011      0.013208      3.418071
  C      -4.367799     -0.439570      4.295510
  C      -6.329652      1.263948      1.310444
  C      -5.916072     10.452386     -1.176090
  C      -5.975516      9.222240     -0.296969
  O      -6.561464      8.210761     -0.675328
  C      -5.301024      9.265918      1.035272
  C      -4.537188     10.366274      1.462724
  C      -3.906214     10.348239      2.702866
  C      -4.029881      9.221136      3.511493
  F      -3.422563      9.248737      4.716639
  C      -4.788060      8.106282      3.128178
  C      -4.959176      6.842529      3.917123
  O      -6.024805      6.228878      3.869093
  N      -3.804959      6.409857      4.585382
  C      -3.766281      5.105099      4.693337
  C      -5.426035      8.162116      1.885733
  C     -11.372288     -2.322928      1.785683
  C     -10.691491     -1.937948      3.082186
  O     -10.600732     -2.743066      4.004081
  C     -10.118702     -0.563950      3.201340
  C     -10.235569      0.390402      2.176717
  C      -9.658486      1.646372      2.315334
  C      -8.931169      1.935465      3.466007
  F      -8.353829      3.150525      3.543547
  C      -8.807849      1.024255      4.524409
  C      -8.067439      1.293685      5.804569
  O      -8.506026      0.843296      6.870135
  N      -6.863837      1.948376      5.640237
  C      -6.255366      2.406822      6.716219
  C      -9.430921     -0.216255      4.370138
  H      -8.285130      4.407817     -0.340457
  H      -6.829052      5.411128     -0.636406
  H      -7.252326      4.044966     -1.726793
  H      -7.973100      1.928626     -1.596286
  H      -8.463957     -0.502937     -1.368939
  H      -4.188573     -1.514961      4.473361
  H      -5.773836      1.756727      2.102218
  H      -6.301599     11.337064     -0.647698
  H      -4.875574     10.675002     -1.459558
  H      -6.506973     10.274121     -2.080582
  H      -4.427867     11.246324      0.828632
  H      -3.319396     11.195493      3.058444
  H      -4.691786      4.569737      4.290176
  H      -6.023425      7.307034      1.567087
  H     -11.782435     -3.333372      1.885965
  H     -10.648214     -2.303630      0.955772
  H     -12.177885     -1.618765      1.529957
  H     -10.774001      0.154277      1.258865
  H      -9.736217      2.401944      1.533883
  H      -6.755419      2.476504      7.697738
  H      -9.357278     -0.945019      5.178186
  N      -3.836882      2.592649      3.027380
  H      -4.026806      2.909606      2.063844
88
Coordinates from ORCA-job orca E -6669.415562315226
  N      -3.650203      0.454101      5.079895
  Mo     -3.887897      2.483517      4.764795
  N      -4.972371      2.790647      6.591028
  C      -4.252993      3.273621      7.758916
  C      -2.978771      2.436682      7.949428
  N      -2.241428      2.196023      6.674739
  C      -1.754423      0.802681      6.559658
  C      -2.911235     -0.114775      6.207738
  C      -1.151047      3.167127      6.421355
  C      -1.718110      4.524535      6.010825
  N      -2.885024      4.242324      5.202900
  H      -2.531876     -1.116802      5.952964
  H      -3.592017     -0.229699      7.067071
  H      -1.025278      0.777802      5.739168
  H      -1.248840      0.471266      7.483035
  H      -2.013160      5.135381      6.879254
  H      -0.965837      5.096871      5.446313
  H      -0.484759      3.255551      7.294851
  H      -0.566595      2.766339      5.582900
  H      -4.871284      3.188777      8.668095
  H      -4.004679      4.339021      7.626315
  H      -3.273759      1.457911      8.350540
  H      -2.307720      2.912439      8.684549
  C      -7.290085      4.355660     -0.651200
  C      -6.468353      3.449990      0.189367
  O      -5.501333      3.895728      0.833492
  C      -6.827141      1.996425      0.259099
  C      -7.634845      1.336021     -0.692524
  C      -7.887133     -0.028077     -0.561548
  C      -7.350052     -0.735918      0.523306
  F      -7.624258     -2.054748      0.591085
  C      -6.554769     -0.114780      1.508597
  C      -5.950876     -0.815869      2.701144
  O      -6.202530     -1.984071      2.989909
  N      -5.166002      0.036364      3.438289
  C      -4.341123     -0.414643      4.305571
  C      -6.326673      1.256768      1.341549
  C      -5.987563     10.385964     -1.170180
  C      -6.034977      9.174968     -0.274385
  O      -6.651352      8.163188     -0.614921
  C      -5.311642      9.234856      1.033460
  C      -4.515770     10.331299      1.417260
  C      -3.844362     10.327231      2.636213
  C      -3.960692      9.218218      3.469720
  F      -3.314167      9.261070      4.653106
  C      -4.751905      8.107293      3.129939
  C      -4.926442      6.862393      3.948552
  O      -6.009105      6.275062      3.939941
  N      -3.774147      6.407593      4.599900
  C      -3.756338      5.099481      4.695636
  C      -5.426457      8.149417      1.906334
  C     -11.305378     -2.214997      1.676474
  C     -10.619257     -1.896194      2.972820
  O     -10.494648     -2.735748      3.847539
  C     -10.084840     -0.520794      3.148558
  C     -10.255818      0.491010      2.204375
  C      -9.708875      1.753169      2.399439
  C      -8.956372      1.990854      3.520085
  F      -8.401342      3.227699      3.656363
  C      -8.783488      1.021338      4.499921
  C      -8.013980      1.252344      5.733872
  O      -8.439264      0.770828      6.777452
  N      -6.831910      1.948796      5.585948
  C      -6.238826      2.403207      6.667398
  C      -9.375908     -0.227623      4.298326
  H      -8.309708      4.375429     -0.278753
  H      -6.869364      5.364962     -0.616759
  H      -7.347040      3.994042     -1.687889
  H      -8.054370      1.874564     -1.548376
  H      -8.495004     -0.566660     -1.294852
  H      -4.161827     -1.491738      4.469482
  H      -5.756210      1.763744      2.119431
  H      -6.343000     11.282274     -0.643944
  H      -4.954146     10.592857     -1.490206
  H      -6.612195     10.195889     -2.049637
  H      -4.414242     11.196760      0.764803
  H      -3.232051     11.171990      2.958530
  H      -4.670348      4.581290      4.291523
  H      -6.048082      7.297852      1.621106
  H     -11.685331     -3.221949      1.730367
  H     -10.590025     -2.136689      0.865697
  H     -12.137228     -1.524664      1.449017
  H     -10.815241      0.300553      1.305286
  H      -9.832374      2.553249      1.685917
  H      -6.757098      2.450082      7.639304
  H      -9.258652     -1.002511      5.044666
  N      -3.867072      2.597780      3.052779
  H      -4.091016      2.942295      2.134332
88
Coordinates from ORCA-job orca E -6669.414249668721
  N      -3.641842      0.470417      5.100074
  Mo     -3.888068      2.467829      4.782212
  N      -4.953115      2.782667      6.604419
  C      -4.242229      3.276839      7.754028
  C      -2.971355      2.453945      7.945538
  N      -2.247865      2.211025      6.673452
  C      -1.754716      0.826467      6.557901
  C      -2.901729     -0.093220      6.214008
  C      -1.172636      3.186903      6.412390
  C      -1.749913      4.529613      5.997437
  N      -2.908078      4.232303      5.199140
  H      -2.518970     -1.092726      5.957795
  H      -3.578603     -0.213305      7.075709
  H      -1.029583      0.806958      5.732791
  H      -1.241796      0.497734      7.478397
  H      -2.047196      5.144586      6.862138
  H      -1.003017      5.104984      5.429069
  H      -0.503515      3.288165      7.284421
  H      -0.587414      2.785732      5.573715
  H      -4.857298      3.196084      8.665008
  H      -4.002298      4.343624      7.609873
  H      -3.256063      1.476875      8.355125
  H      -2.298501      2.938602      8.673388
  C      -7.343496      4.360805     -0.662297
  C      -6.503659      3.452713      0.176576
  O      -5.549697      3.909303      0.811729
  C      -6.846799      1.996072      0.265784
  C      -7.650658      1.325382     -0.681571
  C      -7.892465     -0.041689     -0.539395
  C      -7.348627     -0.741480      0.556147
  F      -7.601504     -2.067104      0.631634
  C      -6.558307     -0.107577      1.538631
  C      -5.943215     -0.799582      2.738579
  O      -6.196984     -1.972805      3.037592
  N      -5.153439      0.073284      3.467271
  C      -4.327067     -0.377388      4.330179
  C      -6.339026      1.267055      1.358028
  C      -5.952526     10.384525     -1.186516
  C      -6.017444      9.171662     -0.281606
  O      -6.644860      8.167925     -0.617659
  C      -5.293828      9.223525      1.026976
  C      -4.481984     10.312901      1.400621
  C      -3.808026     10.303040      2.618786
  C      -3.937766      9.195339      3.462164
  F      -3.289176      9.225287      4.646320
  C      -4.746056      8.093835      3.135931
  C      -4.935115      6.855330      3.970766
  O      -6.029949      6.289479      3.986044
  N      -3.782474      6.390705      4.612181
  C      -3.779926      5.078420      4.696375
  C      -5.423142      8.139189      1.911352
  C     -11.293920     -2.209908      1.583107
  C     -10.614250     -1.902940      2.904194
  O     -10.477472     -2.788875      3.782646
  C     -10.087142     -0.515271      3.116197
  C     -10.283286      0.539060      2.177020
  C      -9.742034      1.799124      2.414122
  C      -8.965006      1.992713      3.571242
  F      -8.408389      3.227064      3.763293
  C      -8.766352      0.977852      4.546047
  C      -7.972599      1.184153      5.804939
  O      -8.370160      0.676366      6.907713
  N      -6.805080      1.910469      5.614341
  C      -6.207355      2.383961      6.680167
  C      -9.355333     -0.266887      4.305654
  H      -8.358300      4.372844     -0.281356
  H      -6.927272      5.374247     -0.632132
  H      -7.412833      4.010968     -1.697522
  H      -8.073035      1.856880     -1.543017
  H      -8.493242     -0.589624     -1.271570
  H      -4.148988     -1.453225      4.488222
  H      -5.768233      1.781678      2.131032
  H      -6.299626     11.289318     -0.662236
  H      -4.915643     10.574635     -1.507027
  H      -6.576740     10.204196     -2.067832
  H      -4.370376     11.176222      0.741179
  H      -3.183954     11.141030      2.933766
  H      -4.691762      4.559844      4.294183
  H      -6.056635      7.294149      1.633738
  H     -11.663557     -3.247263      1.618565
  H     -10.573416     -2.106136      0.749729
  H     -12.129782     -1.515636      1.371919
  H     -10.860958      0.381962      1.253529
  H      -9.889536      2.622672      1.717227
  H      -6.719273      2.421354      7.655641
  H      -9.219847     -1.073480      5.046918
  N      -3.908791      2.587641      3.048019
  H      -4.167735      2.942108      2.113133
88
Coordinates from ORCA-job orca E -6669.415422399529
  N      -3.629323      0.453177      5.124950
  Mo     -3.880225      2.456346      4.803746
  N      -4.940929      2.772169      6.626954
  C      -4.217559      3.275056      7.775630
  C      -2.940165      2.452478      7.961560
  N      -2.221930      2.207161      6.681553
  C      -1.723070      0.822122      6.569459
  C      -2.873115     -0.101902      6.241799
  C      -1.147557      3.187065      6.406288
  C      -1.733375      4.528285      5.992940
  N      -2.900425      4.226939      5.204205
  H      -2.491680     -1.103707      5.990709
  H      -3.541833     -0.213888      7.114941
  H      -1.002551      0.800261      5.739210
  H      -1.202014      0.501287      7.489571
  H      -2.022788      5.144185      6.860705
  H      -0.993591      5.104733      5.414744
  H      -0.470440      3.292534      7.274579
  H      -0.567900      2.785686      5.563971
  H      -4.825481      3.197891      8.692059
  H      -3.978251      4.340245      7.628101
  H      -3.219089      1.474837      8.376948
  H      -2.262879      2.941132      8.684235
  C      -7.345351      4.357470     -0.721152
  C      -6.485125      3.457000      0.157012
  O      -5.555037      3.912907      0.801577
  C      -6.834104      2.011459      0.253975
  C      -7.615270      1.348004     -0.695670
  C      -7.873802     -0.005847     -0.553951
  C      -7.370634     -0.697622      0.540614
  F      -7.638723     -2.010378      0.612370
  C      -6.602877     -0.075710      1.527308
  C      -6.026920     -0.779616      2.727095
  O      -6.294959     -1.947184      3.015879
  N      -5.205855      0.073648      3.471929
  C      -4.345064     -0.393629      4.343051
  C      -6.364696      1.286588      1.348030
  C      -5.937210     10.396600     -1.189382
  C      -5.996365      9.172660     -0.289575
  O      -6.596126      8.165314     -0.645551
  C      -5.298134      9.221598      1.034325
  C      -4.511288     10.318005      1.431012
  C      -3.853787     10.306167      2.661236
  C      -3.976129      9.189087      3.492815
  F      -3.343621      9.218689      4.688984
  C      -4.762788      8.080588      3.146140
  C      -4.947456      6.833635      3.971423
  O      -6.037643      6.256592      3.974492
  N      -3.791180      6.373071      4.612157
  C      -3.780981      5.064785      4.704604
  C      -5.423592      8.127866      1.909806
  C     -11.317823     -2.253692      1.624279
  C     -10.633112     -1.896378      2.933395
  O     -10.512066     -2.716587      3.807537
  C     -10.092550     -0.513181      3.123834
  C     -10.275248      0.494331      2.164280
  C      -9.730620      1.753511      2.371265
  C      -8.957340      1.982447      3.528780
  F      -8.407526      3.189546      3.687130
  C      -8.766273      1.014629      4.524780
  C      -7.973441      1.235667      5.804808
  O      -8.350394      0.774623      6.862407
  N      -6.800925      1.909269      5.634700
  C      -6.201735      2.371481      6.711964
  C      -9.364662     -0.221280      4.305190
  H      -8.395970      4.367742     -0.337192
  H      -6.945698      5.377589     -0.711580
  H      -7.398036      3.993874     -1.761601
  H      -8.008580      1.875922     -1.559324
  H      -8.458900     -0.547876     -1.288783
  H      -4.169403     -1.474073      4.494750
  H      -5.810532      1.795191      2.124572
  H      -6.310920     11.292169     -0.662044
  H      -4.899643     10.604672     -1.488238
  H      -6.539142     10.217738     -2.089144
  H      -4.403503     11.190039      0.778770
  H      -3.247806     11.149678      2.992966
  H      -4.698083      4.533531      4.306897
  H      -6.039130      7.277252      1.614986
  H     -11.698534     -3.297183      1.673817
  H     -10.598374     -2.168781      0.781506
  H     -12.140985     -1.571786      1.410203
  H     -10.848532      0.305483      1.242937
  H      -9.873703      2.558909      1.642388
  H      -6.714459      2.427861      7.688520
  H      -9.239627     -0.994477      5.063934
  N      -3.906172      2.575654      3.037197
  H      -4.160597      2.924164      2.064149
88
Coordinates from ORCA-job orca E -6669.416539420833
  N      -3.630209      0.454960      5.112232
  Mo     -3.874654      2.474149      4.790898
  N      -4.948197      2.796136      6.601678
  C      -4.228924      3.297929      7.766454
  C      -2.949709      2.464737      7.961405
  N      -2.219481      2.216907      6.682015
  C      -1.722498      0.826078      6.575101
  C      -2.876772     -0.100459      6.241631
  C      -1.136107      3.193518      6.413905
  C      -1.717684      4.542485      5.997044
  N      -2.885235      4.241939      5.199351
  H      -2.496626     -1.104905      5.995137
  H      -3.551113     -0.208451      7.110660
  H      -0.996793      0.800642      5.751790
  H      -1.209439      0.504876      7.498694
  H      -2.010866      5.158386      6.863806
  H      -0.973956      5.119024      5.423207
  H      -0.466498      3.293833      7.284020
  H      -0.552823      2.789450      5.576841
  H      -4.845919      3.223334      8.677353
  H      -3.983265      4.361119      7.622589
  H      -3.236533      1.487029      8.373381
  H      -2.276520      2.949929      8.688870
  C      -7.313446      4.322744     -0.689625
  C      -6.470858      3.418300      0.177028
  O      -5.502568      3.864517      0.827470
  C      -6.842575      1.971277      0.257589
  C      -7.633321      1.308911     -0.694378
  C      -7.895861     -0.048874     -0.562872
  C      -7.389168     -0.742453      0.522037
  F      -7.656719     -2.056519      0.583250
  C      -6.618444     -0.119818      1.511572
  C      -6.040536     -0.821415      2.704946
  O      -6.294616     -1.981655      2.995355
  N      -5.222686      0.032666      3.449289
  C      -4.353337     -0.419741      4.329970
  C      -6.375975      1.241792      1.341789
  C      -5.981585     10.358539     -1.155549
  C      -6.030358      9.150602     -0.252483
  O      -6.638457      8.141360     -0.592447
  C      -5.313711      9.214208      1.056421
  C      -4.523190     10.308389      1.440943
  C      -3.850401     10.305088      2.658338
  C      -3.961397      9.200171      3.485959
  F      -3.311367      9.238999      4.667797
  C      -4.751992      8.096422      3.149384
  C      -4.929343      6.860977      3.973630
  O      -6.021656      6.286272      3.988765
  N      -3.767539      6.397953      4.606888
  C      -3.763444      5.089702      4.696861
  C      -5.426651      8.134780      1.927445
  C     -11.309393     -2.176691      1.619176
  C     -10.607530     -1.882834      2.926823
  O     -10.468933     -2.766716      3.786018
  C     -10.070406     -0.505315      3.129712
  C     -10.258494      0.511353      2.208014
  C      -9.723947      1.782285      2.405739
  C      -8.963066      2.021604      3.507597
  F      -8.435621      3.255077      3.632582
  C      -8.765380      1.039303      4.472407
  C      -7.978761      1.243824      5.723295
  O      -8.387614      0.737047      6.783377
  N      -6.799095      1.944879      5.579594
  C      -6.216629      2.394575      6.677445
  C      -9.349989     -0.215505      4.262681
  H      -8.359877      4.337707     -0.305957
  H      -6.900653      5.342158     -0.668138
  H      -7.365419      3.953790     -1.735798
  H      -8.027706      1.839586     -1.554240
  H      -8.485621     -0.591417     -1.301266
  H      -4.174258     -1.501423      4.492965
  H      -5.815804      1.744241      2.120427
  H      -6.343074     11.252578     -0.634882
  H      -4.947646     10.564388     -1.468225
  H      -6.597675     10.169596     -2.040988
  H      -4.424570     11.171884      0.790179
  H      -3.240395     11.147530      2.980731
  H      -4.678055      4.561278      4.292557
  H      -6.045976      7.285382      1.642285
  H     -11.685698     -3.195519      1.649995
  H     -10.613208     -2.073870      0.775965
  H     -12.139306     -1.473359      1.432747
  H     -10.827453      0.325755      1.318123
  H      -9.874001      2.597673      1.696279
  H      -6.741899      2.439560      7.649884
  H      -9.216947     -0.998606      4.996233
  N      -3.869436      2.588686      3.067356
  H      -4.110375      2.937194      2.129315
88
Coordinates from ORCA-job orca E -6669.416256825410
  N      -3.659825      0.454691      5.120952
  Mo     -3.904383      2.467304      4.790845
  N      -4.950009      2.799224      6.614355
  C      -4.221222      3.306645      7.763127
  C      -2.943979      2.475134      7.945675
  N      -2.234719      2.219164      6.659225
  C      -1.743642      0.827741      6.552827
  C      -2.902605     -0.097091      6.239042
  C      -1.152123      3.190907      6.371457
  C      -1.733168      4.536878      5.956045
  N      -2.910141      4.235717      5.174223
  H      -2.527346     -1.103476      5.993911
  H      -3.567378     -0.200805      7.113632
  H      -1.028343      0.796569      5.720451
  H      -1.219785      0.510147      7.471462
  H      -2.012004      5.159167      6.823299
  H      -0.993044      5.108025      5.370506
  H      -0.470609      3.296859      7.232990
  H      -0.578789      2.780365      5.527804
  H      -4.826837      3.237348      8.682921
  H      -3.977736      4.369736      7.609524
  H      -3.227417      1.501193      8.366397
  H      -2.259271      2.961369      8.661633
  C      -7.312711      4.331493     -0.637613
  C      -6.499737      3.395535      0.195802
  O      -5.559207      3.830430      0.836038
  C      -6.852038      1.937902      0.277870
  C      -7.646005      1.255582     -0.681964
  C      -7.887106     -0.120729     -0.537624
  C      -7.353507     -0.815156      0.569265
  F      -7.600321     -2.148833      0.645208
  C      -6.579727     -0.167560      1.564751
  C      -5.982299     -0.853976      2.773821
  O      -6.227942     -2.018555      3.090502
  N      -5.196945      0.021973      3.495363
  C      -4.369280     -0.416161      4.361908
  C      -6.359621      1.213167      1.382631
  C      -6.013430     10.350944     -1.141743
  C      -6.079112      9.154395     -0.223654
  O      -6.734568      8.149545     -0.530015
  C      -5.325884      9.217676      1.063234
  C      -4.489701     10.298551      1.408224
  C      -3.789746     10.294580      2.605903
  C      -3.917673      9.202296      3.454040
  F      -3.238924      9.240293      4.615045
  C      -4.749595      8.111964      3.153757
  C      -4.940417      6.890504      3.994542
  O      -6.045265      6.340717      4.038809
  N      -3.774326      6.398452      4.597076
  C      -3.789611      5.087672      4.681241
  C      -5.452505      8.151650      1.952264
  C     -11.258680     -2.139254      1.510902
  C     -10.583777     -1.841218      2.826497
  O     -10.453463     -2.714921      3.673184
  C     -10.063263     -0.467809      3.068349
  C     -10.267794      0.599829      2.152798
  C      -9.733909      1.853120      2.413319
  C      -8.962491      2.039213      3.563467
  F      -8.424845      3.279102      3.760715
  C      -8.759411      1.017690      4.511537
  C      -7.981923      1.213085      5.771560
  O      -8.388887      0.676148      6.821454
  N      -6.802056      1.935028      5.619559
  C      -6.211287      2.393384      6.699308
  C      -9.336769     -0.227848      4.247305
  H      -8.321002      4.354633     -0.275991
  H      -6.891913      5.343380     -0.595584
  H      -7.362344      3.994678     -1.661932
  H      -8.059787      1.784550     -1.555146
  H      -8.478190     -0.679250     -1.278927
  H      -4.188819     -1.492478      4.529027
  H      -5.797851      1.735523      2.168242
  H      -6.333902     11.267126     -0.625536
  H      -4.977128     10.522013     -1.488926
  H      -6.659786     10.164715     -2.002638
  H      -4.378907     11.150508      0.741326
  H      -3.144812     11.126792      2.898753
  H      -4.707630      4.568302      4.289295
  H      -6.105428      7.313421      1.695806
  H     -11.615555     -3.154596      1.522437
  H     -10.554790     -2.016676      0.700575
  H     -12.100104     -1.461441      1.309176
  H     -10.842510      0.452378      1.231952
  H      -9.886995      2.677083      1.734338
  H      -6.727142      2.437561      7.672438
  H      -9.195139     -1.039591      4.968395
  N      -3.927861      2.577746      3.086790
  H      -4.193199      2.934424      2.182636
88
Coordinates from ORCA-job orca E -6669.416525444351
  N      -3.654517      0.460616      5.109235
  Mo     -3.899631      2.461590      4.803308
  N      -4.947613      2.779596      6.624248
  C      -4.223532      3.277080      7.772050
  C      -2.948054      2.448426      7.949693
  N      -2.237146      2.204908      6.664935
  C      -1.744680      0.816990      6.546202
  C      -2.900538     -0.102536      6.220558
  C      -1.158917      3.180089      6.388464
  C      -1.743269      4.524886      5.983401
  N      -2.915842      4.228397      5.198664
  H      -2.523669     -1.105925      5.965768
  H      -3.567068     -0.215190      7.093127
  H      -1.027183      0.794414      5.713530
  H      -1.222040      0.490024      7.462902
  H      -2.025048      5.138158      6.855180
  H      -1.005526      5.102903      5.404744
  H      -0.478660      3.280045      7.253840
  H      -0.582616      2.779377      5.542766
  H      -4.830001      3.200071      8.689298
  H      -3.982272      4.342178      7.626481
  H      -3.229870      1.471115      8.361837
  H      -2.265750      2.930254      8.672100
  C      -7.352240      4.339270     -0.729462
  C      -6.495032      3.440720      0.134863
  O      -5.504205      3.900417      0.758664
  C      -6.851635      1.991595      0.252514
  C      -7.647052      1.312239     -0.685968
  C      -7.891133     -0.050897     -0.531909
  C      -7.359310     -0.736629      0.568603
  F      -7.612486     -2.058852      0.654580
  C      -6.583782     -0.093923      1.548294
  C      -5.990868     -0.783706      2.750851
  O      -6.259994     -1.954237      3.057673
  N      -5.188455      0.082975      3.480595
  C      -4.362648     -0.381203      4.338495
  C      -6.357565      1.275781      1.354238
  C      -5.947199     10.363683     -1.191923
  C      -6.004544      9.156639     -0.269344
  O      -6.614714      8.145682     -0.599720
  C      -5.295919      9.222906      1.049688
  C      -4.493827     10.317821      1.418253
  C      -3.828196     10.317472      2.644746
  C      -3.957847      9.212627      3.502498
  F      -3.313344      9.251035      4.691680
  C      -4.758930      8.107746      3.182145
  C      -4.946173      6.874992      4.023626
  O      -6.039777      6.316319      4.048398
  N      -3.787254      6.392727      4.639182
  C      -3.798332      5.080772      4.712415
  C      -5.428503      8.143816      1.950158
  C     -11.288282     -2.226481      1.590867
  C     -10.602334     -1.897476      2.899910
  O     -10.464664     -2.769069      3.777107
  C     -10.073689     -0.503468      3.102989
  C     -10.264629      0.541981      2.154373
  C      -9.722439      1.805297      2.386478
  C      -8.946375      2.007130      3.555708
  F      -8.391595      3.231079      3.745066
  C      -8.753438      1.007936      4.533323
  C      -7.967002      1.224111      5.801021
  O      -8.350075      0.740020      6.853431
  N      -6.795078      1.917082      5.632153
  C      -6.203382      2.373589      6.708120
  C      -9.343744     -0.236765      4.293816
  H      -8.387230      4.372998     -0.325980
  H      -6.922022      5.346734     -0.727380
  H      -7.435373      3.969459     -1.774096
  H      -8.057229      1.834299     -1.552866
  H      -8.482183     -0.605700     -1.258487
  H      -4.191269     -1.460199      4.490088
  H      -5.793494      1.794461      2.121151
  H      -6.312762     11.269474     -0.676793
  H      -4.912868     10.560435     -1.502993
  H      -6.556066     10.174224     -2.084004
  H      -4.380031     11.178443      0.746457
  H      -3.209589     11.159538      2.954640
  H      -4.713791      4.563359      4.309616
  H      -6.055176      7.295632      1.675513
  H     -11.652345     -3.285701      1.638512
  H     -10.563423     -2.118167      0.731876
  H     -12.138799     -1.529710      1.394507
  H     -10.836054      0.367084      1.233493
  H      -9.866811      2.625814      1.680433
  H      -6.717331      2.419872      7.683195
  H      -9.213821     -1.033358      5.038362
  N      -3.934513      2.593211      3.053837
  H      -4.207616      2.961087      2.113837
88
Coordinates from ORCA-job orca E -6669.413943934635
  N      -3.641466      0.454705      5.125525
  Mo     -3.888615      2.457811      4.814866
  N      -4.938533      2.784672      6.628265
  C      -4.213956      3.287062      7.781010
  C      -2.935228      2.456694      7.963351
  N      -2.220768      2.209045      6.677473
  C      -1.724756      0.820839      6.565467
  C      -2.880655     -0.102039      6.244673
  C      -1.142805      3.184647      6.397561
  C      -1.730441      4.529869      5.987006
  N      -2.903193      4.227287      5.203906
  H      -2.503540     -1.106424      5.995635
  H      -3.546588     -0.209016      7.120036
  H      -1.006724      0.795603      5.733942
  H      -1.202323      0.498504      7.483883
  H      -2.013860      5.145148      6.857020
  H      -0.995454      5.108268      5.405797
  H      -0.464029      3.286881      7.262609
  H      -0.567024      2.781494      5.555195
  H      -4.823050      3.214008      8.696417
  H      -3.970691      4.350725      7.632554
  H      -3.217574      1.479552      8.378452
  H      -2.254677      2.941871      8.684836
  C      -7.337459      4.304422     -0.713546
  C      -6.503547      3.421839      0.163731
  O      -5.570533      3.881014      0.797489
  C      -6.859438      1.984559      0.265584
  C      -7.624487      1.320214     -0.681180
  C      -7.877543     -0.026427     -0.544805
  C      -7.381524     -0.709301      0.542042
  F      -7.639657     -2.015106      0.605278
  C      -6.631845     -0.085785      1.530119
  C      -6.060610     -0.784708      2.725206
  O      -6.326467     -1.946716      3.015758
  N      -5.236710      0.066616      3.470693
  C      -4.367852     -0.400484      4.346869
  C      -6.401016      1.268002      1.355667
  C      -5.972182     10.340057     -1.188289
  C      -6.020885      9.131394     -0.270393
  O      -6.622239      8.120341     -0.605176
  C      -5.311632      9.202932      1.047697
  C      -4.516783     10.303415      1.419255
  C      -3.845876     10.308545      2.645530
  C      -3.964961      9.203407      3.499239
  F      -3.316220      9.246854      4.689211
  C      -4.762617      8.093823      3.179314
  C      -4.945798      6.861460      4.026327
  O      -6.044039      6.300107      4.060957
  N      -3.780033      6.387445      4.639697
  C      -3.788084      5.077875      4.717645
  C      -5.435359      8.123606      1.945882
  C     -11.289495     -2.168481      1.585287
  C     -10.591107     -1.858658      2.893930
  O     -10.462213     -2.697293      3.741342
  C     -10.052355     -0.488205      3.103954
  C     -10.240835      0.523457      2.183856
  C      -9.703633      1.784048      2.397530
  C      -8.934524      2.010419      3.525141
  F      -8.399714      3.222642      3.680439
  C      -8.735682      1.030202      4.487613
  C      -7.949441      1.230684      5.756998
  O      -8.344032      0.705664      6.845988
  N      -6.775845      1.929076      5.607454
  C      -6.199002      2.375012      6.706157
  C      -9.322954     -0.210248      4.259585
  H      -8.384399      4.323216     -0.340937
  H      -6.939901      5.321016     -0.705247
  H      -7.377347      3.918992     -1.747413
  H      -8.009503      1.842743     -1.542311
  H      -8.449983     -0.569935     -1.280063
  H      -4.191648     -1.482226      4.503409
  H      -5.857132      1.772650      2.129617
  H      -6.343890     11.240021     -0.668627
  H      -4.939398     10.546517     -1.496510
  H      -6.580659     10.148145     -2.082537
  H      -4.411132     11.165257      0.751232
  H      -3.231982     11.155276      2.956528
  H      -4.704926      4.556057      4.315959
  H      -6.058689      7.271035      1.670846
  H     -11.668450     -3.200013      1.609952
  H     -10.585672     -2.062720      0.741778
  H     -12.111592     -1.481617      1.397042
  H     -10.814573      0.342468      1.283165
  H      -9.855776      2.605850      1.688136
  H      -6.724832      2.417971      7.678853
  H      -9.189842     -0.996458      4.992986
  N      -3.925810      2.588185      3.050859
  H      -4.201611      2.956165      2.090172
88
Coordinates from ORCA-job orca E -6669.416971695188
  N      -3.640604      0.448928      5.138631
  Mo     -3.890158      2.465668      4.805403
  N      -4.938407      2.808910      6.620419
  C      -4.210592      3.322287      7.772010
  C      -2.930578      2.490869      7.958693
  N      -2.219706      2.230874      6.671494
  C      -1.722838      0.839243      6.573825
  C      -2.878322     -0.093082      6.264655
  C      -1.140280      3.205431      6.379635
  C      -1.727340      4.550091      5.956985
  N      -2.902920      4.241449      5.175830
  H      -2.500645     -1.099871      6.027667
  H      -3.543054     -0.191692      7.141235
  H      -1.006475      0.806409      5.743831
  H      -1.199508      0.529378      7.495051
  H      -2.008378      5.174720      6.821786
  H      -0.990369      5.122671      5.369289
  H      -0.461850      3.316518      7.240940
  H      -0.565545      2.792934      5.540804
  H      -4.818340      3.257607      8.690279
  H      -3.966369      4.383677      7.614084
  H      -3.212882      1.517539      8.382958
  H      -2.247199      2.980296      8.672107
  C      -7.320529      4.301905     -0.659817
  C      -6.507694      3.364665      0.198052
  O      -5.573420      3.785849      0.852819
  C      -6.873941      1.915414      0.268512
  C      -7.655986      1.241417     -0.701645
  C      -7.904364     -0.126007     -0.570459
  C      -7.389111     -0.818216      0.530198
  F      -7.640204     -2.142325      0.590549
  C      -6.627176     -0.181269      1.536014
  C      -6.038048     -0.872283      2.745058
  O      -6.283210     -2.026228      3.051971
  N      -5.233740     -0.004601      3.481913
  C      -4.362530     -0.436913      4.373153
  C      -6.401477      1.189877      1.366586
  C      -6.013727     10.330091     -1.118868
  C      -6.070830      9.136308     -0.208125
  O      -6.710597      8.132609     -0.523016
  C      -5.325198      9.205365      1.080331
  C      -4.500216     10.286859      1.434421
  C      -3.802087     10.285848      2.632116
  C      -3.922204      9.198102      3.468783
  F      -3.245294      9.236907      4.630704
  C      -4.747577      8.109499      3.163236
  C      -4.935634      6.891975      4.005257
  O      -6.050007      6.345950      4.066513
  N      -3.765601      6.399024      4.601365
  C      -3.784303      5.091988      4.684845
  C      -5.446843      8.144719      1.960594
  C     -11.264537     -2.107086      1.518286
  C     -10.568050     -1.833273      2.836948
  O     -10.422037     -2.734455      3.678471
  C     -10.045913     -0.456891      3.075515
  C     -10.257677      0.590088      2.175150
  C      -9.733145      1.850021      2.412627
  C      -8.965288      2.061489      3.526397
  F      -8.450113      3.299822      3.689050
  C      -8.747535      1.049446      4.470509
  C      -7.964172      1.235883      5.729700
  O      -8.362363      0.710690      6.747083
  N      -6.785642      1.943943      5.604844
  C      -6.202892      2.398590      6.701695
  C      -9.317742     -0.200465      4.222109
  H      -8.354792      4.322843     -0.299730
  H      -6.901394      5.319536     -0.618907
  H      -7.355990      3.957487     -1.700677
  H      -8.055765      1.771098     -1.573733
  H      -8.487864     -0.679293     -1.321652
  H      -4.174657     -1.513817      4.547883
  H      -5.845977      1.703406      2.159200
  H      -6.344999     11.234982     -0.604171
  H      -4.978026     10.512587     -1.456130
  H      -6.653086     10.140300     -1.984479
  H      -4.395451     11.136544      0.775489
  H      -3.164727     11.118406      2.930838
  H      -4.699539      4.571539      4.288643
  H      -6.093816      7.305954      1.699182
  H     -11.622614     -3.121977      1.522075
  H     -10.579290     -1.976409      0.691554
  H     -12.099676     -1.421314      1.341292
  H     -10.837467      0.432058      1.270356
  H      -9.901376      2.676466      1.725822
  H      -6.727424      2.444743      7.670936
  H      -9.166276     -1.006013      4.938818
  N      -3.917427      2.578506      3.088723
  H      -4.192281      2.940693      2.175056
88
Coordinates from ORCA-job orca E -6669.415486446647
  N      -3.660894      0.459189      5.105693
  Mo     -3.909581      2.465395      4.798797
  N      -4.947741      2.790379      6.621498
  C      -4.218231      3.291242      7.767626
  C      -2.941063      2.462305      7.939376
  N      -2.238595      2.216376      6.649039
  C      -1.745037      0.826601      6.533074
  C      -2.902089     -0.097644      6.217335
  C      -1.160758      3.192460      6.363637
  C      -1.749163      4.536413      5.959044
  N      -2.926818      4.236543      5.179506
  H      -2.525120     -1.102296      5.966165
  H      -3.564932     -0.206935      7.092850
  H      -1.031706      0.801546      5.697691
  H      -1.217958      0.504443      7.448702
  H      -2.025596      5.151320      6.831816
  H      -1.014684      5.114891      5.374796
  H      -0.476668      3.294978      7.224939
  H      -0.587931      2.789904      5.515479
  H      -4.820610      3.216754      8.688484
  H      -3.977502      4.355707      7.618303
  H      -3.220563      1.485391      8.354524
  H      -2.253760      2.944417      8.656449
  C      -7.326189      4.316588     -0.731857
  C      -6.475541      3.402828      0.130518
  O      -5.463836      3.864714      0.755910
  C      -6.844420      1.943462      0.251711
  C      -7.646092      1.251120     -0.693351
  C      -7.893076     -0.125946     -0.532446
  C      -7.359326     -0.812084      0.579491
  F      -7.615830     -2.145079      0.674814
  C      -6.580461     -0.154254      1.563876
  C      -5.988798     -0.835240      2.772790
  O      -6.259539     -2.006184      3.096334
  N      -5.189401      0.048401      3.490299
  C      -4.367632     -0.396973      4.345049
  C      -6.350787      1.226518      1.364023
  C      -5.985296     10.341511     -1.151597
  C      -6.046598      9.148760     -0.217443
  O      -6.683525      8.136391     -0.522157
  C      -5.312080      9.224648      1.082662
  C      -4.488390     10.309711      1.427900
  C      -3.803413     10.313184      2.636132
  C      -3.934096      9.224668      3.495396
  F      -3.269133      9.265791      4.665965
  C      -4.755999      8.132047      3.196828
  C      -4.949005      6.913002      4.044745
  O      -6.051829      6.373809      4.092821
  N      -3.785989      6.407163      4.636270
  C      -3.811659      5.094280      4.701004
  C      -5.444391      8.164071      1.984850
  C     -11.281444     -2.175147      1.546072
  C     -10.607823     -1.853996      2.857277
  O     -10.493516     -2.719301      3.718088
  C     -10.069779     -0.472364      3.082422
  C     -10.249973      0.588248      2.146393
  C      -9.702651      1.850285      2.393660
  C      -8.936010      2.040447      3.558511
  F      -8.371739      3.264170      3.761366
  C      -8.753786      1.024623      4.523965
  C      -7.975155      1.220402      5.796516
  O      -8.373835      0.698452      6.870092
  N      -6.797558      1.925248      5.633566
  C      -6.205290      2.378000      6.710204
  C      -9.347744     -0.218616      4.268853
  H      -8.350822      4.353438     -0.333669
  H      -6.882779      5.327226     -0.725560
  H      -7.410869      3.957183     -1.768070
  H      -8.056675      1.773201     -1.568200
  H      -8.486772     -0.689505     -1.261505
  H      -4.192128     -1.473858      4.505993
  H      -5.782170      1.752064      2.136771
  H      -6.324761     11.260100     -0.644612
  H      -4.950094     10.517729     -1.486600
  H      -6.613460     10.147229     -2.025176
  H      -4.374674     11.158774      0.751794
  H      -3.167575     11.148099      2.928694
  H      -4.728021      4.583269      4.298119
  H      -6.088915      7.323558      1.728345
  H     -11.650419     -3.209462      1.571404
  H     -10.559001     -2.065409      0.720504
  H     -12.120393     -1.489929      1.341527
  H     -10.817080      0.425882      1.224459
  H      -9.839045      2.671244      1.703738
  H      -6.717427      2.421411      7.685221
  H      -9.225670     -1.018166      4.998781
  N      -3.951817      2.595978      3.083414
  H      -4.234727      2.966716      2.175722
88
Coordinates from ORCA-job orca E -6669.415779650194
  N      -3.679800      0.447673      5.116199
  Mo     -3.920082      2.447342      4.811658
  N      -4.949629      2.782810      6.632211
  C      -4.216143      3.281917      7.776318
  C      -2.942106      2.445548      7.945901
  N      -2.242998      2.194265      6.653364
  C      -1.755141      0.803562      6.537784
  C      -2.917898     -0.113241      6.227052
  C      -1.162782      3.164820      6.363524
  C      -1.746942      4.511210      5.959575
  N      -2.927377      4.215330      5.184981
  H      -2.546929     -1.120175      5.976378
  H      -3.578153     -0.216731      7.105802
  H      -1.043169      0.774112      5.699857
  H      -1.227023      0.478719      7.452302
  H      -2.018686      5.128060      6.832493
  H      -1.013471      5.086211      5.372672
  H      -0.475621      3.265883      7.223898
  H      -0.594008      2.758721      5.515526
  H      -4.817636      3.211776      8.697483
  H      -3.969803      4.345122      7.624846
  H      -3.226978      1.470543      8.363364
  H      -2.250881      2.926101      8.661847
  C      -7.320670      4.302949     -0.687713
  C      -6.499535      3.421135      0.177912
  O      -5.573325      3.891499      0.799283
  C      -6.847190      1.984363      0.291709
  C      -7.605488      1.312309     -0.655468
  C      -7.848700     -0.039621     -0.512442
  C      -7.348351     -0.722474      0.583313
  F      -7.598936     -2.034022      0.654040
  C      -6.605529     -0.088727      1.572175
  C      -6.034503     -0.780737      2.768579
  O      -6.299547     -1.947104      3.070148
  N      -5.233767      0.074822      3.499106
  C      -4.402654     -0.395035      4.350178
  C      -6.384370      1.270859      1.392069
  C      -5.997870     10.340922     -1.202169
  C      -6.046514      9.138040     -0.266716
  O      -6.666663      8.123989     -0.579017
  C      -5.317258      9.214960      1.043970
  C      -4.498941     10.310820      1.388448
  C      -3.811401     10.319023      2.607544
  C      -3.937751      9.220064      3.484190
  F      -3.269801      9.265852      4.664804
  C      -4.758808      8.115456      3.190557
  C      -4.948330      6.890779      4.052501
  O      -6.053166      6.355835      4.113541
  N      -3.784637      6.390730      4.643084
  C      -3.812195      5.078098      4.711040
  C      -5.447486      8.143222      1.964201
  C     -11.255848     -2.161147      1.545305
  C     -10.564930     -1.871056      2.861833
  O     -10.423183     -2.767798      3.727455
  C     -10.037681     -0.487837      3.084694
  C     -10.231373      0.566564      2.155057
  C      -9.692467      1.826795      2.398921
  C      -8.920365      2.019541      3.560592
  F      -8.374736      3.243241      3.755065
  C      -8.726334      1.014131      4.516766
  C      -7.951239      1.218885      5.779544
  O      -8.341172      0.706169      6.830890
  N      -6.780413      1.921516      5.629964
  C      -6.204249      2.372265      6.715785
  C      -9.307974     -0.234330      4.269331
  H      -8.347624      4.331814     -0.327950
  H      -6.923797      5.311110     -0.676776
  H      -7.356392      3.920619     -1.702550
  H      -7.992193      1.832140     -1.520252
  H      -8.414479     -0.587287     -1.245480
  H      -4.233445     -1.476312      4.501189
  H      -5.846453      1.780805      2.165783
  H      -6.354680     11.255520     -0.684073
  H      -4.966943     10.532825     -1.528574
  H      -6.620263     10.146793     -2.087096
  H      -4.387952     11.166729      0.703033
  H      -3.178382     11.162094      2.897623
  H      -4.731464      4.571032      4.311973
  H      -6.088534      7.295627      1.708874
  H     -11.618835     -3.212344      1.573257
  H     -10.539912     -2.037915      0.682026
  H     -12.104965     -1.455671      1.366508
  H     -10.802508      0.403570      1.239742
  H      -9.839964      2.663214      1.703111
  H      -6.725392      2.413841      7.689546
  H      -9.172953     -1.043298      5.000729
  N      -3.979731      2.586612      3.063306
  H      -4.275466      2.967470      2.134390
88
Coordinates from ORCA-job orca E -6669.417181144315
  N      -3.635856      0.448589      5.146127
  Mo     -3.888373      2.459473      4.824743
  N      -4.930484      2.804942      6.637979
  C      -4.202816      3.315623      7.788449
  C      -2.921870      2.484008      7.970137
  N      -2.214522      2.227295      6.680384
  C      -1.715071      0.837605      6.579477
  C      -2.869605     -0.094864      6.270786
  C      -1.138890      3.203091      6.388275
  C      -1.730743      4.547114      5.969400
  N      -2.906230      4.237870      5.190847
  H      -2.491125     -1.100627      6.031690
  H      -3.532692     -0.195018      7.148738
  H      -1.000015      0.807643      5.747682
  H      -1.189363      0.526488      7.498974
  H      -2.010788      5.168508      6.836190
  H      -0.998250      5.123030      5.381723
  H      -0.459444      3.312769      7.248868
  H      -0.565768      2.793325      5.548626
  H      -4.809476      3.249451      8.706203
  H      -3.959176      4.377252      7.631393
  H      -3.202736      1.509542      8.392408
  H      -2.236838      2.972058      8.682985
  C      -7.354050      4.284002     -0.701226
  C      -6.536523      3.369013      0.178362
  O      -5.594160      3.797159      0.835437
  C      -6.897429      1.928127      0.259523
  C      -7.665722      1.255950     -0.705797
  C      -7.907816     -0.099596     -0.575364
  C      -7.396956     -0.782592      0.520740
  F      -7.643121     -2.097005      0.579207
  C      -6.645753     -0.149773      1.524015
  C      -6.055754     -0.842761      2.730965
  O      -6.301901     -1.994400      3.028067
  N      -5.246006      0.013967      3.479076
  C      -4.362039     -0.430264      4.375520
  C      -6.428686      1.211914      1.354653
  C      -5.996884     10.311942     -1.147150
  C      -6.048623      9.116698     -0.230090
  O      -6.665951      8.113875     -0.551623
  C      -5.320193      9.192569      1.071745
  C      -4.505609     10.282459      1.425744
  C      -3.816251     10.290063      2.637116
  C      -3.937320      9.199122      3.491116
  F      -3.268360      9.242688      4.665875
  C      -4.754969      8.103104      3.188435
  C      -4.939775      6.887598      4.044597
  O      -6.049932      6.344222      4.114644
  N      -3.767955      6.399730      4.634217
  C      -3.790485      5.092621      4.709272
  C      -5.445476      8.128875      1.970142
  C     -11.265997     -2.099408      1.523907
  C     -10.562913     -1.817156      2.835275
  O     -10.420175     -2.672069      3.662036
  C     -10.035000     -0.450429      3.070100
  C     -10.243312      0.582099      2.173875
  C      -9.713409      1.834295      2.409791
  C      -8.939854      2.044470      3.529906
  F      -8.423614      3.275104      3.690665
  C      -8.723456      1.041438      4.472842
  C      -7.939345      1.225118      5.737193
  O      -8.335267      0.691905      6.771733
  N      -6.763889      1.937607      5.612589
  C      -6.191156      2.390142      6.717358
  C      -9.298567     -0.198761      4.223078
  H      -8.405466      4.303211     -0.343824
  H      -6.942740      5.301029     -0.670663
  H      -7.380164      3.918911     -1.752259
  H      -8.061752      1.779569     -1.575957
  H      -8.483537     -0.652616     -1.324859
  H      -4.173635     -1.508368      4.546229
  H      -5.881033      1.723778      2.141253
  H      -6.348031     11.212155     -0.633891
  H      -4.963110     10.506293     -1.469108
  H      -6.622187     10.118075     -2.025983
  H      -4.398947     11.132862      0.756526
  H      -3.186262     11.128444      2.934306
  H      -4.705933      4.576705      4.307876
  H      -6.084873      7.285042      1.709180
  H     -11.627782     -3.124481      1.531192
  H     -10.576513     -1.968081      0.687804
  H     -12.104178     -1.413665      1.353541
  H     -10.826488      0.422383      1.270901
  H      -9.880632      2.664157      1.719291
  H      -6.720384      2.430251      7.686673
  H      -9.148351     -1.007290      4.942547
  N      -3.933380      2.585948      3.078026
  H      -4.225766      2.960376      2.144994
88
Coordinates from ORCA-job orca E -6669.417739417451
  N      -3.659258      0.464781      5.110124
  Mo     -3.915765      2.473389      4.809518
  N      -4.939774      2.804621      6.637399
  C      -4.201095      3.307406      7.779524
  C      -2.921944      2.478038      7.941651
  N      -2.230725      2.231831      6.643510
  C      -1.734803      0.842277      6.526286
  C      -2.891635     -0.085699      6.220791
  C      -1.155467      3.210117      6.347571
  C      -1.751295      4.552774      5.948307
  N      -2.934535      4.249555      5.177018
  H      -2.513295     -1.089996      5.970534
  H      -3.549282     -0.193601      7.101608
  H      -1.027482      0.817102      5.686606
  H      -1.200912      0.523413      7.439417
  H      -2.021108      5.167047      6.824030
  H      -1.022457      5.133735      5.357697
  H      -0.464650      3.315143      7.203365
  H      -0.588157      2.808856      5.494433
  H      -4.797259      3.235590      8.705054
  H      -3.959874      4.370918      7.626683
  H      -3.197703      1.500874      8.359168
  H      -2.228778      2.959945      8.653028
  C      -7.336232      4.284496     -0.743687
  C      -6.505422      3.357333      0.113926
  O      -5.528944      3.814460      0.749243
  C      -6.868242      1.892172      0.224323
  C      -7.642506      1.189028     -0.736288
  C      -7.884084     -0.194022     -0.577278
  C      -7.371871     -0.873849      0.542879
  F      -7.622551     -2.210590      0.636240
  C      -6.616523     -0.206265      1.539326
  C      -6.039219     -0.878210      2.757929
  O      -6.324156     -2.045065      3.095469
  N      -5.224413      0.022394      3.473951
  C      -4.371298     -0.407407      4.349363
  C      -6.394769      1.178673      1.343486
  C      -5.986725     10.309869     -1.112341
  C      -6.056061      9.127740     -0.168923
  O      -6.709091      8.113855     -0.455893
  C      -5.313105      9.215859      1.119619
  C      -4.474115     10.297283      1.447182
  C      -3.782134     10.308808      2.644415
  C      -3.920626      9.235431      3.506019
  F      -3.247655      9.282999      4.665517
  C      -4.758203      8.149068      3.226020
  C      -4.961918      6.941744      4.086946
  O      -6.083428      6.416091      4.161949
  N      -3.789683      6.421508      4.655997
  C      -3.824325      5.109890      4.711803
  C      -5.453706      8.171902      2.025803
  C     -11.269624     -2.131428      1.529428
  C     -10.599177     -1.820348      2.846925
  O     -10.487599     -2.710971      3.706076
  C     -10.054802     -0.435819      3.076054
  C     -10.217609      0.606302      2.156227
  C      -9.668890      1.866725      2.398592
  C      -8.915941      2.066123      3.546572
  F      -8.347029      3.266892      3.745199
  C      -8.749361      1.065475      4.502849
  C      -7.975059      1.248985      5.783864
  O      -8.379499      0.731782      6.842186
  N      -6.794487      1.936513      5.646343
  C      -6.200378      2.385007      6.730711
  C      -9.349511     -0.168271      4.241927
  H      -8.356058      4.316141     -0.367851
  H      -6.904033      5.302954     -0.717880
  H      -7.398096      3.932675     -1.772174
  H      -8.037656      1.708805     -1.619554
  H      -8.458292     -0.766673     -1.316806
  H      -4.184496     -1.481964      4.520035
  H      -5.845563      1.711443      2.130663
  H      -6.312630     11.239108     -0.615197
  H      -4.948404     10.472616     -1.461163
  H      -6.621510     10.106866     -1.975703
  H      -4.354188     11.135798      0.766115
  H      -3.133840     11.141139      2.923227
  H      -4.744302      4.602602      4.309238
  H      -6.111761      7.334344      1.784133
  H     -11.645561     -3.159273      1.543830
  H     -10.549397     -2.023273      0.711164
  H     -12.091219     -1.444640      1.327771
  H     -10.776446      0.435019      1.241813
  H      -9.797405      2.677415      1.712459
  H      -6.712618      2.432941      7.703459
  H      -9.243131     -0.947236      4.956259
  N      -3.979410      2.613417      3.090359
  H      -4.277693      2.993012      2.179978
88
Coordinates from ORCA-job orca E -6669.420633142809
  N      -3.675681      0.443289      5.128867
  Mo     -3.914122      2.451176      4.819564
  N      -4.939475      2.798097      6.640744
  C      -4.203184      3.301440      7.784726
  C      -2.928914      2.462669      7.954022
  N      -2.235209      2.205189      6.658904
  C      -1.748193      0.811398      6.550635
  C      -2.912126     -0.109753      6.246334
  C      -1.154536      3.173812      6.361674
  C      -1.739357      4.521637      5.952827
  N      -2.921550      4.224321      5.179615
  H      -2.542059     -1.118185      6.003035
  H      -3.571558     -0.206804      7.126256
  H      -1.038099      0.777043      5.713436
  H      -1.219491      0.493303      7.466202
  H      -2.007952      5.142570      6.823727
  H      -1.005998      5.093591      5.362585
  H      -0.467141      3.277643      7.218485
  H      -0.589043      2.763078      5.515491
  H      -4.802672      3.236388      8.707429
  H      -3.955701      4.362900      7.628405
  H      -3.213700      1.489078      8.374849
  H      -2.234573      2.942840      8.664820
  C      -7.321756      4.289123     -0.709919
  C      -6.492527      3.388964      0.169305
  O      -5.550106      3.834098      0.812061
  C      -6.852838      1.951801      0.269804
  C      -7.608943      1.277490     -0.693382
  C      -7.853257     -0.073890     -0.555345
  C      -7.356393     -0.753808      0.548145
  F      -7.609223     -2.064463      0.615266
  C      -6.615846     -0.118877      1.549996
  C      -6.044630     -0.809283      2.757036
  O      -6.310269     -1.958715      3.058908
  N      -5.243894      0.042283      3.491209
  C      -4.400612     -0.416561      4.361903
  C      -6.395755      1.240470      1.374959
  C      -6.025005     10.310536     -1.166090
  C      -6.067663      9.119109     -0.236014
  O      -6.685669      8.118711     -0.544931
  C      -5.331757      9.196554      1.063828
  C      -4.514901     10.283866      1.402128
  C      -3.818488     10.295040      2.611747
  C      -3.935217      9.208337      3.482161
  F      -3.259183      9.255424      4.653742
  C      -4.754401      8.113663      3.195046
  C      -4.932947      6.903157      4.061769
  O      -6.033311      6.372985      4.140259
  N      -3.766887      6.399859      4.638686
  C      -3.803371      5.090490      4.707989
  C      -5.452457      8.137118      1.977835
  C     -11.245773     -2.120440      1.531525
  C     -10.555764     -1.835730      2.844269
  O     -10.418283     -2.700977      3.677795
  C     -10.030828     -0.463081      3.080985
  C     -10.233608      0.599871      2.162616
  C      -9.702845      1.860598      2.409223
  C      -8.935148      2.058433      3.554000
  F      -8.404766      3.298193      3.733780
  C      -8.728597      1.032213      4.513701
  C      -7.953123      1.218421      5.778889
  O      -8.348504      0.685119      6.815146
  N      -6.774632      1.931747      5.638023
  C      -6.195464      2.384085      6.727794
  C      -9.301781     -0.219502      4.260247
  H      -8.371125      4.314126     -0.342726
  H      -6.908969      5.300107     -0.690808
  H      -7.358847      3.915624     -1.755007
  H      -7.992084      1.797791     -1.566906
  H      -8.418544     -0.626888     -1.301178
  H      -4.227496     -1.497016      4.522632
  H      -5.858205      1.753517      2.159935
  H      -6.373312     11.216766     -0.656411
  H      -4.998024     10.498793     -1.499073
  H      -6.654381     10.112906     -2.041488
  H      -4.411272     11.130358      0.721443
  H      -3.186115     11.132422      2.895786
  H      -4.721469      4.587467      4.307289
  H      -6.093988      7.295769      1.728986
  H     -11.608342     -3.148392      1.540575
  H     -10.541042     -1.991323      0.698258
  H     -12.087139     -1.430102      1.351976
  H     -10.808680      0.444314      1.246982
  H      -9.863112      2.704598      1.715275
  H      -6.717214      2.425979      7.701063
  H      -9.158366     -1.047236      4.994829
  N      -3.973658      2.586258      3.090989
  H      -4.272788      2.968528      2.182290
88
Coordinates from ORCA-job orca E -6669.414040078560
  N      -3.672472      0.444495      5.162407
  Mo     -3.919411      2.444531      4.847295
  N      -4.928006      2.804959      6.670651
  C      -4.188146      3.312837      7.809504
  C      -2.909791      2.476852      7.974025
  N      -2.223116      2.213762      6.675557
  C      -1.734742      0.821398      6.572009
  C      -2.899154     -0.103163      6.278538
  C      -1.145485      3.180758      6.365899
  C      -1.733265      4.525970      5.948614
  N      -2.921128      4.220517      5.187566
  H      -2.529099     -1.110879      6.036448
  H      -3.553351     -0.198200      7.162052
  H      -1.030241      0.785155      5.730220
  H      -1.199168      0.508050      7.484936
  H      -1.996107      5.152177      6.817574
  H      -1.006163      5.095556      5.348564
  H      -0.453494      3.287205      7.218112
  H      -0.587883      2.764072      5.518897
  H      -4.783325      3.250057      8.734496
  H      -3.943048      4.374195      7.646818
  H      -3.190075      1.504137      8.400223
  H      -2.211943      2.961005      8.677824
  C      -7.367822      4.234849     -0.739525
  C      -6.543026      3.352728      0.160141
  O      -5.609335      3.811913      0.806771
  C      -6.889684      1.911535      0.274709
  C      -7.641521      1.222825     -0.687638
  C      -7.875318     -0.128858     -0.537215
  C      -7.369695     -0.794687      0.580069
  F      -7.611015     -2.107973      0.660013
  C      -6.630797     -0.145679      1.580760
  C      -6.048306     -0.826453      2.801148
  O      -6.307388     -1.973075      3.116944
  N      -5.246823      0.029377      3.530754
  C      -4.400254     -0.421253      4.404774
  C      -6.421992      1.214973      1.390975
  C      -6.093972     10.276375     -1.136148
  C      -6.152485      9.086272     -0.194185
  O      -6.839865      8.078503     -0.462399
  C      -5.361989      9.174160      1.076271
  C      -4.489532     10.263410      1.368530
  C      -3.748635     10.284697      2.556898
  C      -3.875219      9.204129      3.451848
  F      -3.155492      9.258172      4.604199
  C      -4.747788      8.108966      3.210310
  C      -4.943094      6.907452      4.105154
  O      -6.070494      6.398268      4.235334
  N      -3.762606      6.397828      4.656472
  C      -3.806850      5.087210      4.724681
  C      -5.489717      8.121925      2.013839
  C     -11.217790     -1.977522      1.382399
  C     -10.533961     -1.733469      2.730287
  O     -10.392909     -2.647688      3.564514
  C     -10.001777     -0.394237      3.015145
  C     -10.196138      0.633122      2.137867
  C      -9.658031      1.850684      2.425295
  C      -8.887729      2.037021      3.579019
  F      -8.356035      3.251087      3.789519
  C      -8.689128      1.042386      4.500789
  C      -7.916528      1.220944      5.773858
  O      -8.306428      0.672060      6.810011
  N      -6.745032      1.934737      5.656389
  C      -6.180621      2.389350      6.756304
  C      -9.267443     -0.171829      4.208187
  H      -8.419222      4.238639     -0.387748
  H      -6.968020      5.255100     -0.728637
  H      -7.389395      3.855976     -1.779127
  H      -8.032015      1.731705     -1.570731
  H      -8.438640     -0.693554     -1.283139
  H      -4.223974     -1.499302      4.575567
  H      -5.884197      1.738816      2.171634
  H      -6.391806     11.211155     -0.611322
  H      -5.064642     10.435817     -1.517247
  H      -6.768330     10.079021     -1.982468
  H      -4.380434     11.103589      0.671848
  H      -3.076085     11.123287      2.806865
  H      -4.731776      4.585846      4.333538
  H      -6.173944      7.280902      1.801357
  H     -11.577679     -3.011880      1.363450
  H     -10.522332     -1.826954      0.536722
  H     -12.052292     -1.276308      1.218779
  H     -10.775302      0.491861      1.215349
  H      -9.816600      2.680095      1.755071
  H      -6.707893      2.429080      7.726769
  H      -9.125567     -0.987971      4.920329
  N      -4.016781      2.580167      3.094307
  H      -4.345128      2.968748      2.170984
88
Coordinates from ORCA-job orca E -6669.419111380993
  N      -3.662859      0.458689      5.121553
  Mo     -3.916745      2.464725      4.820607
  N      -4.937555      2.811949      6.643438
  C      -4.200587      3.315173      7.786779
  C      -2.921525      2.480695      7.950204
  N      -2.230544      2.228210      6.651522
  C      -1.735737      0.837948      6.539584
  C      -2.893841     -0.089954      6.235415
  C      -1.154857      3.203742      6.353090
  C      -1.748325      4.547446      5.946881
  N      -2.931817      4.243324      5.176838
  H      -2.517773     -1.095691      5.989145
  H      -3.552127     -0.193356      7.115854
  H      -1.027768      0.809824      5.700637
  H      -1.202786      0.520909      7.453396
  H      -2.017848      5.165237      6.819978
  H      -1.019549      5.125773      5.354842
  H      -0.465709      3.309207      7.208845
  H      -0.589138      2.797083      5.503360
  H      -4.799052      3.246153      8.710429
  H      -3.956481      4.377720      7.631376
  H      -3.201656      1.505318      8.370163
  H      -2.226084      2.962229      8.658970
  C      -7.333545      4.252116     -0.761939
  C      -6.518541      3.344087      0.116993
  O      -5.557385      3.815319      0.761961
  C      -6.881898      1.883220      0.230563
  C      -7.653591      1.180677     -0.729118
  C      -7.897004     -0.199579     -0.568450
  C      -7.385076     -0.876033      0.552721
  F      -7.635176     -2.209988      0.647529
  C      -6.630049     -0.209603      1.547689
  C      -6.045444     -0.880795      2.770608
  O      -6.326712     -2.053190      3.113598
  N      -5.229556      0.014874      3.490069
  C      -4.378283     -0.413743      4.364806
  C      -6.409527      1.172599      1.349656
  C      -6.024894     10.292230     -1.106384
  C      -6.075765      9.116172     -0.160006
  O      -6.731192      8.096042     -0.436894
  C      -5.317028      9.215492      1.123608
  C      -4.473838     10.299271      1.442349
  C      -3.766445     10.316104      2.635019
  C      -3.894941      9.244669      3.502756
  F      -3.206873      9.294692      4.658177
  C      -4.741345      8.158296      3.233599
  C      -4.946299      6.953970      4.101619
  O      -6.085210      6.445852      4.203022
  N      -3.770973      6.424998      4.661199
  C      -3.819243      5.111345      4.716300
  C      -5.448542      8.175525      2.037003
  C     -11.262266     -2.092587      1.504498
  C     -10.577023     -1.811260      2.827725
  O     -10.458670     -2.712602      3.676055
  C     -10.031490     -0.429134      3.063998
  C     -10.208259      0.624256      2.150438
  C      -9.659035      1.886933      2.393689
  C      -8.896902      2.072369      3.536423
  F      -8.342624      3.284748      3.721633
  C      -8.719544      1.065029      4.480480
  C      -7.944617      1.242048      5.756779
  O      -8.348607      0.716231      6.815246
  N      -6.770764      1.937723      5.632064
  C      -6.196327      2.390529      6.727420
  C      -9.313969     -0.175452      4.223319
  H      -8.359144      4.273523     -0.407694
  H      -6.915977      5.274202     -0.740451
  H      -7.369201      3.890213     -1.783942
  H      -8.049239      1.695188     -1.611976
  H      -8.470982     -0.769615     -1.306894
  H      -4.194299     -1.488375      4.541584
  H      -5.860651      1.700825      2.131804
  H      -6.349664     11.214542     -0.604155
  H      -4.995971     10.464166     -1.459686
  H      -6.670837     10.085004     -1.964614
  H      -4.361753     11.136497      0.757975
  H      -3.114641     11.149391      2.906661
  H      -4.742085      4.612559      4.313421
  H      -6.110888      7.337621      1.803266
  H     -11.636645     -3.129334      1.513268
  H     -10.550777     -1.971174      0.666495
  H     -12.093880     -1.391926      1.324377
  H     -10.777276      0.469547      1.239055
  H      -9.799144      2.719564      1.706037
  H      -6.719877      2.430899      7.696637
  H      -9.192646     -0.966169      4.933493
  N      -4.005218      2.611593      3.082696
  H      -4.325293      2.998971      2.165353
88
Coordinates from ORCA-job orca E -6669.417806905198
  N      -3.670142      0.442040      5.124473
  Mo     -3.916634      2.448433      4.810759
  N      -4.938028      2.805601      6.629367
  C      -4.202368      3.313184      7.770795
  C      -2.928441      2.477846      7.941195
  N      -2.238201      2.217489      6.646446
  C      -1.747711      0.824645      6.544355
  C      -2.907382     -0.101464      6.244014
  C      -1.160663      3.188268      6.344483
  C      -1.749318      4.530813      5.929385
  N      -2.929320      4.228396      5.156454
  H      -2.533366     -1.110187      6.005342
  H      -3.568054     -0.196914      7.123978
  H      -1.036860      0.788997      5.707353
  H      -1.217956      0.511945      7.461706
  H      -2.018938      5.155726      6.797137
  H      -1.016737      5.101403      5.336103
  H      -0.473200      3.298379      7.201326
  H      -0.594191      2.774478      5.499227
  H      -4.801245      3.249128      8.694225
  H      -3.956314      4.374069      7.610634
  H      -3.210980      1.505268      8.365938
  H      -2.232640      2.961413      8.648726
  C      -7.324670      4.292555     -0.645715
  C      -6.495880      3.371897      0.222057
  O      -5.549992      3.806403      0.872877
  C      -6.856674      1.933076      0.302555
  C      -7.620433      1.266662     -0.666525
  C      -7.863772     -0.093747     -0.541894
  C      -7.359281     -0.786842      0.551807
  F      -7.614239     -2.102515      0.609197
  C      -6.611330     -0.157852      1.556049
  C      -6.030545     -0.849828      2.756370
  O      -6.294243     -2.005374      3.063074
  N      -5.232404      0.014323      3.487458
  C      -4.386392     -0.427115      4.362540
  C      -6.391258      1.207064      1.394770
  C      -6.004026     10.310411     -1.176405
  C      -6.051665      9.124090     -0.236922
  O      -6.657565      8.134857     -0.547199
  C      -5.326616      9.197062      1.066962
  C      -4.517248     10.273676      1.408589
  C      -3.830244     10.280672      2.618647
  C      -3.949227      9.201491      3.483186
  F      -3.279048      9.242673      4.653613
  C      -4.759857      8.118922      3.193166
  C      -4.930894      6.915567      4.058474
  O      -6.012826      6.391899      4.129304
  N      -3.766164      6.407038      4.626613
  C      -3.810223      5.097583      4.688257
  C      -5.449725      8.145348      1.976729
  C     -11.243058     -2.117872      1.489281
  C     -10.567285     -1.829737      2.807247
  O     -10.431607     -2.712508      3.633182
  C     -10.042199     -0.452872      3.063283
  C     -10.247134      0.632700      2.153943
  C      -9.708884      1.894734      2.426230
  C      -8.941557      2.078760      3.569912
  F      -8.398386      3.302004      3.784307
  C      -8.733957      1.031006      4.517704
  C      -7.956203      1.204252      5.786538
  O      -8.345427      0.654204      6.821646
  N      -6.777835      1.925271      5.636926
  C      -6.195716      2.386766      6.718705
  C      -9.313137     -0.219017      4.238545
  H      -8.375459      4.308808     -0.284586
  H      -6.914023      5.304750     -0.610750
  H      -7.354929      3.940383     -1.695967
  H      -8.011341      1.795940     -1.531448
  H      -8.434639     -0.638468     -1.290747
  H      -4.205551     -1.505066      4.534755
  H      -5.845601      1.710884      2.183151
  H      -6.354461     11.222223     -0.677746
  H      -4.971899     10.491495     -1.504643
  H      -6.626806     10.110944     -2.054399
  H      -4.409473     11.118215      0.728469
  H      -3.201021     11.111339      2.905133
  H      -4.724555      4.600840      4.284001
  H      -6.087035      7.310692      1.725248
  H     -11.598847     -3.146510      1.482983
  H     -10.537225     -1.976238      0.668534
  H     -12.080936     -1.439987      1.310655
  H     -10.820367      0.482086      1.241981
  H      -9.861398      2.720155      1.763631
  H      -6.714454      2.429711      7.691758
  H      -9.167725     -1.036259      4.948169
  N      -3.979959      2.584641      3.106816
  H      -4.285711      2.966292      2.219935
88
Coordinates from ORCA-job orca E -6669.417108730368
  N      -3.687841      0.441302      5.127456
  Mo     -3.933350      2.448871      4.825637
  N      -4.948492      2.805182      6.647217
  C      -4.211369      3.307700      7.791553
  C      -2.935092      2.468688      7.955192
  N      -2.246026      2.210748      6.656449
  C      -1.756714      0.816987      6.548712
  C      -2.918939     -0.108485      6.245899
  C      -1.166441      3.179909      6.354766
  C      -1.754246      4.526205      5.943295
  N      -2.939553      4.226499      5.173538
  H      -2.545776     -1.115706      6.001678
  H      -3.577739     -0.207555      7.126284
  H      -1.048457      0.784002      5.709938
  H      -1.224911      0.500512      7.463072
  H      -2.020458      5.148030      6.814301
  H      -1.023884      5.098355      5.349680
  H      -0.476928      3.283419      7.209557
  H      -0.604595      2.767309      5.507023
  H      -4.809658      3.240674      8.714441
  H      -3.964754      4.369102      7.635036
  H      -3.218251      1.494769      8.375714
  H      -2.237247      2.948345      8.662793
  C      -7.332513      4.270157     -0.715388
  C      -6.524221      3.382102      0.179619
  O      -5.588161      3.837852      0.834084
  C      -6.872956      1.937601      0.275973
  C      -7.615917      1.259416     -0.693755
  C      -7.847403     -0.096999     -0.563652
  C      -7.349730     -0.776701      0.538239
  F      -7.589936     -2.092631      0.599054
  C      -6.620413     -0.138918      1.545308
  C      -6.047926     -0.831600      2.748247
  O      -6.309050     -1.979881      3.044275
  N      -5.253678      0.022145      3.486506
  C      -4.409902     -0.427119      4.362328
  C      -6.412298      1.224750      1.378362
  C      -6.035237     10.320748     -1.138510
  C      -6.102656      9.129904     -0.194781
  O      -6.792264      8.125781     -0.461311
  C      -5.323953      9.211132      1.078439
  C      -4.447184     10.292789      1.371315
  C      -3.717158     10.307699      2.560422
  C      -3.859125      9.228738      3.454374
  F      -3.147834      9.277195      4.605717
  C      -4.738079      8.141438      3.213385
  C      -4.948501      6.941276      4.110776
  O      -6.085571      6.446085      4.249313
  N      -3.772254      6.414257      4.658390
  C      -3.822949      5.102065      4.714360
  C      -5.468810      8.160757      2.016253
  C     -11.223886     -2.148624      1.532722
  C     -10.539308     -1.852802      2.836390
  O     -10.402822     -2.706741      3.659450
  C     -10.018709     -0.468141      3.068102
  C     -10.215290      0.596536      2.155873
  C      -9.685300      1.868589      2.398722
  C      -8.919557      2.063398      3.542483
  F      -8.390141      3.312640      3.719408
  C      -8.718074      1.029809      4.499672
  C      -7.945803      1.209566      5.766216
  O      -8.343250      0.681015      6.792913
  N      -6.769964      1.924244      5.639946
  C      -6.203889      2.385429      6.733573
  C      -9.293327     -0.223338      4.242069
  H      -8.382170      4.276081     -0.379742
  H      -6.931986      5.288474     -0.688285
  H      -7.341771      3.894279     -1.754621
  H      -8.000737      1.779444     -1.567518
  H      -8.403231     -0.652975     -1.315621
  H      -4.231641     -1.505572      4.531819
  H      -5.878754      1.738029      2.167019
  H      -6.336185     11.257787     -0.620340
  H      -5.000284     10.476264     -1.512674
  H      -6.702062     10.126387     -1.986220
  H      -4.326328     11.132688      0.674360
  H      -3.041216     11.140867      2.811547
  H      -4.745727      4.608392      4.310972
  H      -6.157289      7.325732      1.802645
  H     -11.581295     -3.182632      1.544888
  H     -10.509061     -2.013321      0.701958
  H     -12.077460     -1.462273      1.355201
  H     -10.789048      0.442481      1.244985
  H      -9.851157      2.732164      1.698416
  H      -6.729912      2.424173      7.704149
  H      -9.148966     -1.058700      4.975661
  N      -4.022945      2.595401      3.090444
  H      -4.345981      2.983863      2.180287
88
Coordinates from ORCA-job orca E -6669.418035394257
  N      -3.669916      0.443356      5.139671
  Mo     -3.926827      2.449213      4.836483
  N      -4.932610      2.805521      6.664037
  C      -4.190685      3.311879      7.802392
  C      -2.910618      2.476841      7.959568
  N      -2.229236      2.220313      6.655140
  C      -1.733640      0.830090      6.545706
  C      -2.893310     -0.100106      6.252557
  C      -1.156223      3.196253      6.344435
  C      -1.753262      4.538826      5.936984
  N      -2.941946      4.233662      5.174467
  H      -2.518159     -1.106290      6.009646
  H      -3.546084     -0.199689      7.137362
  H      -1.030440      0.799340      5.702836
  H      -1.194816      0.517452      7.457601
  H      -2.016484      5.159965      6.809688
  H      -1.027843      5.114842      5.338672
  H      -0.460972      3.306299      7.195223
  H      -0.596346      2.786829      5.492997
  H      -4.784069      3.244903      8.729548
  H      -3.947520      4.374195      7.642961
  H      -3.188814      1.502891      8.384119
  H      -2.209862      2.959671      8.661934
  C      -7.348735      4.231080     -0.772429
  C      -6.528448      3.334912      0.121084
  O      -5.582605      3.807423      0.764094
  C      -6.885281      1.879542      0.243541
  C      -7.648346      1.177576     -0.713328
  C      -7.888041     -0.192863     -0.549620
  C      -7.379421     -0.863443      0.573522
  F      -7.629418     -2.190064      0.670305
  C      -6.630847     -0.200350      1.567938
  C      -6.050448     -0.873866      2.791135
  O      -6.325241     -2.039087      3.124529
  N      -5.238440      0.008103      3.513739
  C      -4.388940     -0.426297      4.385937
  C      -6.414474      1.175784      1.366876
  C      -6.047390     10.274624     -1.123683
  C      -6.092585      9.102836     -0.173649
  O      -6.745941      8.081229     -0.448780
  C      -5.332162      9.205395      1.111859
  C      -4.486229     10.290710      1.423768
  C      -3.773149     10.311438      2.619112
  C      -3.898471      9.240745      3.499434
  F      -3.204993      9.294078      4.656690
  C      -4.750096      8.152988      3.238254
  C      -4.953470      6.953338      4.115664
  O      -6.102430      6.455655      4.235025
  N      -3.775891      6.416070      4.663716
  C      -3.830156      5.104822      4.721005
  C      -5.462608      8.166907      2.037792
  C     -11.242582     -2.010444      1.451030
  C     -10.555322     -1.751937      2.781898
  O     -10.429597     -2.677586      3.629551
  C     -10.011099     -0.386526      3.037814
  C     -10.192423      0.646961      2.149567
  C      -9.645201      1.879544      2.405612
  C      -8.875115      2.052925      3.556225
  F      -8.324928      3.255847      3.753689
  C      -8.692077      1.060477      4.481506
  C      -7.917648      1.228733      5.759726
  O      -8.315445      0.689775      6.812998
  N      -6.748618      1.928182      5.645974
  C      -6.186138      2.379697      6.747309
  C      -9.282027     -0.156946      4.211325
  H      -8.384269      4.249690     -0.421080
  H      -6.939673      5.252066     -0.757496
  H      -7.376207      3.859709     -1.800737
  H      -8.042277      1.687574     -1.599085
  H      -8.457929     -0.763726     -1.287600
  H      -4.205970     -1.500847      4.560518
  H      -5.869807      1.705715      2.147387
  H      -6.376021     11.189424     -0.622952
  H      -5.024922     10.449834     -1.474087
  H      -6.693492     10.068418     -1.983201
  H      -4.376969     11.123740      0.733651
  H      -3.120924     11.144204      2.884644
  H      -4.754136      4.610441      4.322482
  H      -6.125919      7.330979      1.809176
  H     -11.615913     -3.039468      1.443524
  H     -10.533933     -1.876554      0.620279
  H     -12.074453     -1.315029      1.277312
  H     -10.771033      0.506852      1.232551
  H      -9.794627      2.728906      1.714769
  H      -6.715036      2.416737      7.714760
  H      -9.151674     -0.968646      4.925701
  N      -4.037091      2.601568      3.084748
  H      -4.376496      2.997688      2.166393
88
Coordinates from ORCA-job orca E -6669.419319058377
  N      -3.665331      0.462981      5.122190
  Mo     -3.915646      2.465519      4.821609
  N      -4.932374      2.824775      6.639976
  C      -4.196744      3.328704      7.782601
  C      -2.921493      2.492205      7.947055
  N      -2.234814      2.235856      6.649045
  C      -1.742540      0.844556      6.542421
  C      -2.899738     -0.082742      6.239865
  C      -1.158979      3.206851      6.348593
  C      -1.750303      4.549767      5.938218
  N      -2.930880      4.246388      5.166309
  H      -2.522283     -1.088900      5.995688
  H      -3.560009     -0.184029      7.118858
  H      -1.033367      0.812560      5.704260
  H      -1.210940      0.529090      7.457208
  H      -2.019851      5.171663      6.807952
  H      -1.020068      5.123572      5.345578
  H      -0.470525      3.312531      7.203368
  H      -0.594992      2.795543      5.500999
  H      -4.795292      3.261359      8.705508
  H      -3.951501      4.390352      7.625454
  H      -3.202563      1.517668      8.368376
  H      -2.224092      2.973066      8.653992
  C      -7.352141      4.243408     -0.667239
  C      -6.542897      3.324961      0.203718
  O      -5.583684      3.763754      0.860926
  C      -6.902071      1.880300      0.282903
  C      -7.667343      1.197865     -0.690128
  C      -7.898977     -0.174962     -0.560082
  C      -7.381359     -0.863883      0.544595
  F      -7.622098     -2.190219      0.608992
  C      -6.631718     -0.214558      1.551400
  C      -6.032653     -0.889517      2.762735
  O      -6.287126     -2.057386      3.093582
  N      -5.233289      0.002606      3.486090
  C      -4.377659     -0.418060      4.366001
  C      -6.424179      1.159065      1.381458
  C      -6.031036     10.280316     -1.141957
  C      -6.086428      9.103058     -0.184179
  O      -6.737731      8.102861     -0.461083
  C      -5.326730      9.193706      1.099276
  C      -4.480557     10.270218      1.405488
  C      -3.769512     10.288997      2.600791
  C      -3.899914      9.224282      3.481837
  F      -3.202622      9.272552      4.636448
  C      -4.744971      8.145116      3.225054
  C      -4.926664      6.952916      4.109877
  O      -6.021506      6.443427      4.206767
  N      -3.757308      6.436867      4.663409
  C      -3.812189      5.123614      4.708475
  C      -5.457567      8.159173      2.024942
  C     -11.240171     -2.045204      1.416995
  C     -10.561322     -1.803988      2.758437
  O     -10.442097     -2.722709      3.589665
  C     -10.021823     -0.433695      3.040024
  C     -10.207618      0.651638      2.150013
  C      -9.664323      1.911360      2.433247
  C      -8.908373      2.086402      3.578231
  F      -8.361339      3.309806      3.801622
  C      -8.718179      1.039812      4.506515
  C      -7.945215      1.203875      5.778345
  O      -8.352406      0.652268      6.821067
  N      -6.764363      1.932207      5.638244
  C      -6.190371      2.398343      6.726939
  C      -9.302146     -0.209490      4.215986
  H      -8.395728      4.256904     -0.318595
  H      -6.940342      5.258723     -0.624191
  H      -7.374433      3.889443     -1.707983
  H      -8.066336      1.721045     -1.560514
  H      -8.467789     -0.730843     -1.310488
  H      -4.189001     -1.492274      4.550908
  H      -5.876981      1.672000      2.168733
  H      -6.351549     11.218131     -0.645555
  H      -4.995558     10.436907     -1.504910
  H      -6.680418     10.071710     -2.000333
  H      -4.365122     11.104969      0.710538
  H      -3.111534     11.119937      2.859996
  H      -4.731206      4.637091      4.298201
  H      -6.123989      7.324697      1.802463
  H     -11.604801     -3.085531      1.395996
  H     -10.524614     -1.892281      0.581266
  H     -12.078342     -1.341078      1.253107
  H     -10.775650      0.511497      1.231911
  H      -9.797924      2.724347      1.796304
  H      -6.713827      2.433277      7.698449
  H      -9.177551     -1.014071      4.898824
  N      -3.999757      2.608266      3.114166
  H      -4.322479      2.990209      2.224600
88
Coordinates from ORCA-job orca E -6669.418093642972
  N      -3.687031      0.430211      5.133218
  Mo     -3.932371      2.436920      4.824932
  N      -4.939240      2.806495      6.646372
  C      -4.198465      3.312556      7.785346
  C      -2.924422      2.472778      7.947897
  N      -2.242084      2.208344      6.647732
  C      -1.753324      0.814365      6.545525
  C      -2.916275     -0.111948      6.251404
  C      -1.163809      3.177127      6.336596
  C      -1.752100      4.520621      5.921831
  N      -2.938993      4.220619      5.155630
  H      -2.544447     -1.121012      6.012906
  H      -3.572964     -0.205112      7.134460
  H      -1.046940      0.776941      5.704822
  H      -1.218915      0.503079      7.460584
  H      -2.014679      5.146625      6.791284
  H      -1.021875      5.089409      5.323777
  H      -0.470507      3.286233      7.189249
  H      -0.604304      2.760401      5.487976
  H      -4.794095      3.250373      8.710735
  H      -3.949885      4.372861      7.623294
  H      -3.208195      1.501291      8.373972
  H      -2.221827      2.954472      8.650247
  C      -7.314989      4.258581     -0.713450
  C      -6.505336      3.373628      0.189836
  O      -5.582136      3.836218      0.839378
  C      -6.857729      1.927879      0.292642
  C      -7.603381      1.252116     -0.674428
  C      -7.843708     -0.102823     -0.541541
  C      -7.351238     -0.784395      0.558934
  F      -7.604075     -2.097537      0.622303
  C      -6.617245     -0.150969      1.563117
  C      -6.048370     -0.845524      2.765093
  O      -6.318840     -1.995872      3.061084
  N      -5.250265      0.009641      3.500281
  C      -4.410890     -0.438041      4.373506
  C      -6.401640      1.212306      1.395378
  C      -6.045683     10.291161     -1.138538
  C      -6.077317      9.110834     -0.210974
  O      -6.690744      8.128271     -0.515977
  C      -5.334711      9.190700      1.081251
  C      -4.511887     10.270907      1.404842
  C      -3.801319     10.288578      2.604425
  C      -3.912715      9.212871      3.479207
  F      -3.223702      9.262569      4.641653
  C      -4.744471      8.127737      3.212866
  C      -4.929730      6.933165      4.099410
  O      -6.035677      6.432605      4.226695
  N      -3.759896      6.410768      4.645298
  C      -3.819101      5.099905      4.699447
  C      -5.454462      8.142452      2.002989
  C     -11.226911     -2.098119      1.511496
  C     -10.541659     -1.808526      2.819386
  O     -10.400999     -2.661840      3.644416
  C     -10.019174     -0.439907      3.058294
  C     -10.223331      0.636567      2.137718
  C      -9.688296      1.901002      2.390258
  C      -8.916033      2.086198      3.539907
  F      -8.378926      3.314094      3.732299
  C      -8.710648      1.049887      4.497585
  C      -7.932889      1.223731      5.767615
  O      -8.318685      0.689075      6.798498
  N      -6.760195      1.926285      5.644651
  C      -6.192582      2.386384      6.734651
  C      -9.289623     -0.197179      4.232088
  H      -8.366091      4.257449     -0.386241
  H      -6.920326      5.282069     -0.691077
  H      -7.317605      3.882232     -1.745691
  H      -7.985747      1.774212     -1.547737
  H      -8.403870     -0.655910     -1.290837
  H      -4.235176     -1.516765      4.546314
  H      -5.864962      1.722671      2.184049
  H      -6.392697     11.191270     -0.631017
  H      -5.025212     10.484110     -1.469906
  H      -6.678145     10.088694     -2.009475
  H      -4.412049     11.110757      0.721639
  H      -3.163212     11.122501      2.876725
  H      -4.743010      4.612756      4.297126
  H      -6.105853      7.306408      1.767771
  H     -11.585249     -3.124067      1.516169
  H     -10.520420     -1.964064      0.686110
  H     -12.067966     -1.418215      1.331979
  H     -10.800869      0.486774      1.226862
  H      -9.857121      2.763309      1.694268
  H      -6.716272      2.432398      7.703421
  H      -9.145383     -1.020117      4.954337
  N      -4.039584      2.582527      3.094264
  H      -4.376159      2.973480      2.191008
88
Coordinates from ORCA-job orca E -6669.419000342879
  N      -3.691893      0.427339      5.131056
  Mo     -3.953181      2.438315      4.827511
  N      -4.948771      2.802509      6.661565
  C      -4.201876      3.311364      7.796108
  C      -2.922780      2.475862      7.947796
  N      -2.251057      2.217015      6.638442
  C      -1.752943      0.825884      6.531686
  C      -2.911772     -0.109502      6.245203
  C      -1.180441      3.195937      6.318753
  C      -1.782595      4.536561      5.912053
  N      -2.973708      4.230498      5.151278
  H      -2.533508     -1.115395      6.005532
  H      -3.562181     -0.208256      7.132406
  H      -1.052079      0.793830      5.686867
  H      -1.210158      0.518258      7.443307
  H      -2.042771      5.159157      6.784722
  H      -1.058981      5.112544      5.310613
  H      -0.480525      3.310963      7.166235
  H      -0.622977      2.785979      5.465422
  H      -4.790778      3.245721      8.726900
  H      -3.959215      4.373198      7.634152
  H      -3.199274      1.503112      8.375872
  H      -2.216370      2.959042      8.644731
  C      -7.374518      4.271445     -0.712560
  C      -6.531790      3.351929      0.171621
  O      -5.594047      3.803539      0.821995
  C      -6.874432      1.899802      0.268993
  C      -7.623580      1.212643     -0.697452
  C      -7.850016     -0.155243     -0.558031
  C      -7.346449     -0.837945      0.549626
  F      -7.590078     -2.162048      0.623947
  C      -6.613614     -0.191288      1.553859
  C      -6.043126     -0.878332      2.765472
  O      -6.301339     -2.031764      3.072898
  N      -5.251795     -0.009518      3.497535
  C      -4.405990     -0.444495      4.373805
  C      -6.405148      1.183018      1.376976
  C      -5.974507     10.332381     -1.162433
  C      -6.074347      9.153129     -0.184390
  O      -6.773993      8.131004     -0.431688
  C      -5.311250      9.244817      1.098573
  C      -4.435158     10.316012      1.400168
  C      -3.726464     10.323589      2.594976
  C      -3.881340      9.252470      3.483157
  F      -3.184200      9.294064      4.635109
  C      -4.757797      8.178173      3.228863
  C      -4.977364      6.977665      4.104085
  O      -6.145266      6.502305      4.227808
  N      -3.802388      6.412637      4.645812
  C      -3.862238      5.103533      4.701904
  C      -5.471480      8.206560      2.032385
  C     -11.219969     -2.114437      1.490284
  C     -10.550480     -1.820034      2.810501
  O     -10.436249     -2.710922      3.641586
  C     -10.015172     -0.432088      3.061368
  C     -10.200266      0.620604      2.166608
  C      -9.654019      1.863005      2.426755
  C      -8.889447      2.043215      3.574671
  F      -8.337661      3.250847      3.779500
  C      -8.704770      1.033683      4.505183
  C      -7.932960      1.198577      5.781875
  O      -8.327907      0.661022      6.818535
  N      -6.764764      1.911390      5.659011
  C      -6.199895      2.369199      6.753396
  C      -9.290986     -0.198340      4.234716
  H      -8.424361      4.291849     -0.351704
  H      -6.970354      5.285833     -0.676585
  H      -7.397774      3.922605     -1.763658
  H      -8.016777      1.733535     -1.573700
  H      -8.409547     -0.716158     -1.305275
  H      -4.218152     -1.518506      4.546064
  H      -5.870604      1.702641      2.168344
  H      -6.274097     11.286737     -0.671235
  H      -4.928175     10.463292     -1.532725
  H      -6.631080     10.136283     -2.013294
  H      -4.300859     11.147442      0.702688
  H      -3.052935     11.144685      2.853808
  H      -4.781708      4.612125      4.301112
  H      -6.153666      7.383410      1.807865
  H     -11.589051     -3.148669      1.480296
  H     -10.500198     -1.978839      0.678027
  H     -12.052715     -1.435803      1.310300
  H     -10.772155      0.470316      1.257215
  H      -9.799175      2.719708      1.734044
  H      -6.723752      2.401614      7.724618
  H      -9.155059     -1.036442      4.963188
  N      -4.060913      2.591287      3.093601
  H      -4.399728      2.978833      2.195236
88
Coordinates from ORCA-job orca E -6669.421183237314
  N      -3.660922      0.460251      5.130098
  Mo     -3.918310      2.463704      4.844375
  N      -4.922526      2.817701      6.668375
  C      -4.182847      3.316904      7.810354
  C      -2.904115      2.479351      7.962555
  N      -2.225201      2.230284      6.657018
  C      -1.727921      0.841099      6.541065
  C      -2.885463     -0.088030      6.242316
  C      -1.153142      3.205550      6.352970
  C      -1.750474      4.549375      5.953718
  N      -2.935724      4.247818      5.186113
  H      -2.507458     -1.093134      5.994211
  H      -3.540399     -0.192904      7.125349
  H      -1.023602      0.814613      5.698550
  H      -1.190101      0.522805      7.451581
  H      -2.015746      5.165922      6.828174
  H      -1.024526      5.128180      5.361151
  H      -0.458903      3.310053      7.203373
  H      -0.592983      2.800687      5.500698
  H      -4.777145      3.244100      8.735375
  H      -3.940035      4.379363      7.657648
  H      -3.183703      1.503143      8.380569
  H      -2.202582      2.956215      8.667882
  C      -7.327357      4.169731     -0.749430
  C      -6.533147      3.289889      0.141434
  O      -5.565360      3.767277      0.788093
  C      -6.904383      1.841495      0.254545
  C      -7.673905      1.141793     -0.704946
  C      -7.917135     -0.226067     -0.548575
  C      -7.405016     -0.895400      0.569253
  F      -7.656924     -2.217910      0.659454
  C      -6.649859     -0.231714      1.564178
  C      -6.055897     -0.892610      2.785750
  O      -6.328240     -2.057702      3.130823
  N      -5.240566      0.004641      3.500234
  C      -4.378120     -0.416815      4.374709
  C      -6.433299      1.138222      1.369279
  C      -6.105579     10.219451     -1.115097
  C      -6.126051      9.062903     -0.153528
  O      -6.780180      8.040464     -0.408365
  C      -5.342924      9.185735      1.119534
  C      -4.486739     10.275280      1.399803
  C      -3.756727     10.315315      2.588740
  C      -3.878418      9.259525      3.494362
  F      -3.165883      9.329666      4.643720
  C      -4.737749      8.168427      3.263082
  C      -4.930302      6.982080      4.163738
  O      -6.056412      6.488325      4.286678
  N      -3.757207      6.445539      4.702366
  C      -3.820782      5.132129      4.741489
  C      -5.464476      8.163071      2.067615
  C     -11.237570     -1.937893      1.382014
  C     -10.551856     -1.718931      2.725613
  O     -10.431566     -2.641132      3.561116
  C     -10.005259     -0.373423      3.008812
  C     -10.187871      0.688931      2.128155
  C      -9.640063      1.928622      2.407761
  C      -8.875066      2.087168      3.561459
  F      -8.328118      3.310432      3.772979
  C      -8.685304      1.050681      4.489023
  C      -7.913361      1.206414      5.764887
  O      -8.318338      0.655558      6.802961
  N      -6.737679      1.924844      5.648772
  C      -6.176876      2.382767      6.749977
  C      -9.275988     -0.170750      4.194265
  H      -8.360326      4.189985     -0.414969
  H      -6.913899      5.188425     -0.725499
  H      -7.339717      3.783582     -1.772309
  H      -8.068260      1.650786     -1.585674
  H      -8.490983     -0.794677     -1.288345
  H      -4.189430     -1.491174      4.555635
  H      -5.884921      1.661332      2.147816
  H      -6.428052     11.136914     -0.615305
  H      -5.094763     10.396136     -1.484782
  H      -6.764754      9.997638     -1.964559
  H      -4.380917     11.098738      0.688880
  H      -3.092680     11.153383      2.828493
  H      -4.741309      4.653311      4.332082
  H      -6.138570      7.322878      1.864817
  H     -11.601901     -2.963465      1.363652
  H     -10.535193     -1.789151      0.540882
  H     -12.075277     -1.222246      1.221037
  H     -10.765064      0.564879      1.202788
  H      -9.780546      2.770612      1.746071
  H      -6.709003      2.411223      7.717796
  H      -9.152209     -0.980503      4.884092
  N      -4.034701      2.632411      3.114264
  H      -4.381076      3.033420      2.216328
88
Coordinates from ORCA-job orca E -6669.417819301450
  N      -3.697048      0.448136      5.126618
  Mo     -3.942995      2.451741      4.824465
  N      -4.941058      2.830123      6.648538
  C      -4.196998      3.334826      7.784226
  C      -2.924645      2.491063      7.941222
  N      -2.250204      2.225219      6.638260
  C      -1.761908      0.832220      6.533950
  C      -2.924321     -0.093045      6.242389
  C      -1.173697      3.191406      6.323748
  C      -1.761577      4.535293      5.912578
  N      -2.949304      4.237140      5.148616
  H      -2.553004     -1.101916      6.002991
  H      -3.578851     -0.186241      7.125841
  H      -1.058109      0.795778      5.691416
  H      -1.225097      0.520794      7.446644
  H      -2.020834      5.160723      6.783365
  H      -1.032206      5.104136      5.313648
  H      -0.478481      3.298037      7.173240
  H      -0.618385      2.773526      5.473014
  H      -4.790119      3.273802      8.710892
  H      -3.946056      4.394887      7.621405
  H      -3.208933      1.519505      8.367216
  H      -2.216446      2.969606      8.639563
  C      -7.398807      4.274048     -0.681016
  C      -6.573227      3.349049      0.208154
  O      -5.669955      3.787770      0.880374
  C      -6.898096      1.900019      0.278331
  C      -7.635061      1.219323     -0.708492
  C      -7.852427     -0.150507     -0.588297
  C      -7.345459     -0.839895      0.520747
  F      -7.576999     -2.165765      0.576593
  C      -6.618947     -0.195104      1.540813
  C      -6.036785     -0.880212      2.756896
  O      -6.284648     -2.044364      3.071406
  N      -5.253508     -0.002184      3.490146
  C      -4.411287     -0.430589      4.371351
  C      -6.427271      1.179297      1.381224
  C      -5.972906     10.304956     -1.141874
  C      -6.033800      9.124966     -0.203698
  O      -6.650261      8.151207     -0.512380
  C      -5.304938      9.199912      1.093408
  C      -4.481428     10.272858      1.418531
  C      -3.781549     10.288612      2.622116
  C      -3.903575      9.220532      3.495364
  F      -3.222749      9.262818      4.661260
  C      -4.733452      8.144654      3.226861
  C      -4.916043      6.956976      4.114815
  O      -6.001014      6.456715      4.239592
  N      -3.750279      6.438883      4.654447
  C      -3.825711      5.124804      4.698990
  C      -5.434773      8.159668      2.014124
  C     -11.216409     -2.132409      1.495137
  C     -10.543233     -1.840624      2.809080
  O     -10.415689     -2.738940      3.640460
  C     -10.014548     -0.449309      3.060537
  C     -10.201540      0.627096      2.160470
  C      -9.659842      1.897705      2.422472
  C      -8.900154      2.085860      3.563047
  F      -8.355509      3.314735      3.766975
  C      -8.712858      1.055209      4.496585
  C      -7.939138      1.226676      5.769074
  O      -8.338857      0.674305      6.818385
  N      -6.762389      1.940008      5.648172
  C      -6.193891      2.406824      6.739160
  C      -9.296858     -0.200772      4.221911
  H      -8.457650      4.256532     -0.355347
  H      -7.015186      5.303532     -0.631655
  H      -7.387932      3.942905     -1.725372
  H      -8.029400      1.745482     -1.582173
  H      -8.404910     -0.707219     -1.349690
  H      -4.222501     -1.505080      4.554782
  H      -5.901654      1.694508      2.182225
  H      -6.317056     11.219984     -0.648475
  H      -4.936128     10.474630     -1.466263
  H      -6.600120     10.109719     -2.017920
  H      -4.372080     11.108599      0.732993
  H      -3.140644     11.118195      2.894951
  H      -4.756471      4.646837      4.290955
  H      -6.087217      7.326840      1.777832
  H     -11.581577     -3.179520      1.486342
  H     -10.482298     -1.982756      0.675497
  H     -12.071642     -1.452632      1.320021
  H     -10.771651      0.475599      1.250891
  H      -9.805934      2.727264      1.762336
  H      -6.715268      2.451907      7.707873
  H      -9.164041     -1.017402      4.923621
  N      -4.061544      2.603611      3.102868
  H      -4.411877      3.000409      2.202056
88
Coordinates from ORCA-job orca E -6669.420291303604
  N      -3.690921      0.414654      5.134326
  Mo     -3.953103      2.427635      4.824837
  N      -4.944286      2.804159      6.654379
  C      -4.197249      3.315966      7.787817
  C      -2.920641      2.479861      7.941889
  N      -2.251101      2.215407      6.633441
  C      -1.752477      0.823316      6.533828
  C      -2.910871     -0.114238      6.251676
  C      -1.181577      3.194339      6.308410
  C      -1.784086      4.532755      5.896690
  N      -2.973135      4.226447      5.133844
  H      -2.532601     -1.122141      6.019356
  H      -3.562058     -0.206830      7.139487
  H      -1.050201      0.787333      5.689954
  H      -1.210577      0.520849      7.447936
  H      -2.044673      5.158973      6.766918
  H      -1.059273      5.106123      5.294319
  H      -0.481386      3.314821      7.155968
  H      -0.623161      2.780436      5.456865
  H      -4.786306      3.253889      8.718732
  H      -3.952704      4.376655      7.622146
  H      -3.199070      1.509009      8.373500
  H      -2.212349      2.964585      8.636608
  C      -7.311522      4.236890     -0.682898
  C      -6.487928      3.343381      0.207093
  O      -5.536078      3.804394      0.846467
  C      -6.849325      1.899024      0.310664
  C      -7.601397      1.227728     -0.648019
  C      -7.843032     -0.129746     -0.514789
  C      -7.350065     -0.817056      0.576823
  F      -7.611231     -2.129401      0.642950
  C      -6.612410     -0.188254      1.573510
  C      -6.046738     -0.882471      2.769985
  O      -6.318186     -2.032274      3.067110
  N      -5.253692     -0.022796      3.502706
  C      -4.408781     -0.460833      4.376375
  C      -6.391504      1.176224      1.405678
  C      -6.033387     10.296506     -1.148560
  C      -6.100218      9.121217     -0.190201
  O      -6.768571      8.120537     -0.454277
  C      -5.339115      9.209310      1.089949
  C      -4.484261     10.278972      1.395614
  C      -3.769700     10.292958      2.586288
  C      -3.901735      9.227753      3.465434
  F      -3.202902      9.275387      4.615808
  C      -4.759444      8.154356      3.212567
  C      -4.962081      6.963868      4.099089
  O      -6.101919      6.490606      4.245394
  N      -3.791219      6.410359      4.630761
  C      -3.856504      5.104243      4.684764
  C      -5.478510      8.174027      2.016882
  C     -11.216646     -2.048455      1.450204
  C     -10.540517     -1.798156      2.786444
  O     -10.422834     -2.670330      3.602098
  C     -10.011738     -0.420655      3.049553
  C     -10.216028      0.676166      2.141752
  C      -9.671140      1.923150      2.416805
  C      -8.896388      2.077116      3.571537
  F      -8.344476      3.268161      3.792931
  C      -8.699532      1.042667      4.502305
  C      -7.923718      1.194115      5.776418
  O      -8.310391      0.648237      6.802490
  N      -6.757053      1.908189      5.656269
  C      -6.194454      2.367349      6.746950
  C      -9.280821     -0.201716      4.225462
  H      -8.362200      4.260539     -0.330664
  H      -6.900117      5.249010     -0.654057
  H      -7.335942      3.860380     -1.727467
  H      -7.984969      1.754241     -1.514494
  H      -8.406054     -0.678300     -1.256524
  H      -4.221770     -1.537400      4.548718
  H      -5.851494      1.682041      2.192364
  H      -6.346059     11.237190     -0.651150
  H      -4.995255     10.450193     -1.510585
  H      -6.685743     10.092030     -2.002046
  H      -4.367981     11.109917      0.705171
  H      -3.110163     11.116799      2.847771
  H      -4.774026      4.618154      4.282341
  H      -6.150675      7.348391      1.792330
  H     -11.585015     -3.067783      1.423147
  H     -10.518448     -1.907464      0.628387
  H     -12.027365     -1.360524      1.279319
  H     -10.794885      0.546249      1.226774
  H      -9.823457      2.777771      1.742477
  H      -6.717977      2.403539      7.716849
  H      -9.136132     -1.039223      4.938940
  N      -4.062992      2.582717      3.113281
  H      -4.401212      2.970291      2.235251
88
Coordinates from ORCA-job orca E -6669.421124457424
  N      -3.684175      0.443870      5.131467
  Mo     -3.951540      2.447593      4.847259
  N      -4.936047      2.809311      6.683162
  C      -4.187869      3.311856      7.817161
  C      -2.906691      2.475839      7.957419
  N      -2.242115      2.224999      6.643909
  C      -1.741098      0.836419      6.526776
  C      -2.897791     -0.099037      6.239398
  C      -1.175436      3.204135      6.325859
  C      -1.781318      4.545284      5.929122
  N      -2.973488      4.240010      5.170678
  H      -2.517613     -1.102832      5.991640
  H      -3.545467     -0.204909      7.127463
  H      -1.044350      0.811022      5.678138
  H      -1.193781      0.522739      7.433302
  H      -2.039647      5.162266      6.805570
  H      -1.061653      5.126025      5.329559
  H      -0.472437      3.313214      7.169546
  H      -0.622532      2.799543      5.468603
  H      -4.773568      3.239674      8.748226
  H      -3.948254      4.374573      7.660015
  H      -3.181469      1.500391      8.379713
  H      -2.197378      2.953742      8.653910
  C      -7.392722      4.206658     -0.748206
  C      -6.580229      3.310429      0.150195
  O      -5.645830      3.783767      0.809565
  C      -6.916682      1.854036      0.252672
  C      -7.663372      1.149204     -0.719619
  C      -7.882492     -0.222652     -0.572424
  C      -7.369788     -0.893075      0.549254
  F      -7.602098     -2.221779      0.631797
  C      -6.635539     -0.227118      1.556500
  C      -6.048173     -0.896393      2.778952
  O      -6.302609     -2.052976      3.103648
  N      -5.252349     -0.008838      3.503578
  C      -4.396641     -0.432017      4.378207
  C      -6.440303      1.150179      1.371495
  C      -6.023063     10.278890     -1.148948
  C      -6.079264      9.120212     -0.167611
  O      -6.754326      8.094242     -0.410080
  C      -5.304843      9.234878      1.112171
  C      -4.426315     10.312745      1.390341
  C      -3.704862     10.338923      2.583253
  C      -3.854928      9.280004      3.497353
  F      -3.148635      9.336367      4.649184
  C      -4.738621      8.201480      3.268535
  C      -4.964107      7.014799      4.172503
  O      -6.131733      6.554281      4.312830
  N      -3.788477      6.439408      4.698064
  C      -3.862117      5.125824      4.735700
  C      -5.457683      8.210739      2.070031
  C     -11.214557     -2.020400      1.424960
  C     -10.544718     -1.757203      2.755397
  O     -10.432247     -2.655425      3.588834
  C      -9.998635     -0.404100      3.029446
  C     -10.167661      0.640387      2.151302
  C      -9.618449      1.882135      2.423135
  C      -8.861477      2.057098      3.576622
  F      -8.309954      3.293586      3.783111
  C      -8.682692      1.026662      4.510395
  C      -7.918388      1.187756      5.788718
  O      -8.323771      0.648111      6.816323
  N      -6.744295      1.905292      5.674755
  C      -6.185530      2.368229      6.773116
  C      -9.276284     -0.191478      4.218308
  H      -8.436509      4.205476     -0.423115
  H      -7.001548      5.231730     -0.710914
  H      -7.385098      3.846670     -1.780525
  H      -8.061444      1.659572     -1.604093
  H      -8.440663     -0.796521     -1.322554
  H      -4.202511     -1.504149      4.554500
  H      -5.907639      1.679750      2.161993
  H      -6.337097     11.212053     -0.660354
  H      -4.999060     10.432815     -1.514190
  H      -6.677858     10.068256     -2.001173
  H      -4.297781     11.134470      0.674149
  H      -3.026184     11.164818      2.822475
  H      -4.785512      4.650212      4.331515
  H      -6.145574      7.383794      1.866032
  H     -11.578788     -3.059581      1.416046
  H     -10.490606     -1.876815      0.597853
  H     -12.062863     -1.317640      1.250786
  H     -10.735305      0.499365      1.235016
  H      -9.753832      2.733873      1.745212
  H      -6.715258      2.396289      7.742242
  H      -9.160082     -1.006817      4.920041
  N      -4.100088      2.622304      3.105795
  H      -4.467458      3.024996      2.205445
88
Coordinates from ORCA-job orca E -6669.417179643996
  N      -3.668029      0.460137      5.127958
  Mo     -3.920548      2.464152      4.842651
  N      -4.923257      2.833957      6.659772
  C      -4.185097      3.333031      7.800824
  C      -2.910792      2.488927      7.956222
  N      -2.231669      2.232995      6.653490
  C      -1.737053      0.842946      6.542384
  C      -2.895503     -0.082959      6.243268
  C      -1.159438      3.204048      6.348125
  C      -1.750897      4.548238      5.945180
  N      -2.933082      4.252063      5.173579
  H      -2.522030     -1.091562      6.002205
  H      -3.552014     -0.178944      7.125591
  H      -1.029282      0.813316      5.702950
  H      -1.203472      0.527750      7.455619
  H      -2.015671      5.167162      6.818079
  H      -1.021520      5.123047      5.354113
  H      -0.468669      3.308729      7.199683
  H      -0.599400      2.793168      5.498567
  H      -4.781479      3.264527      8.723998
  H      -3.936114      4.394030      7.646172
  H      -3.195202      1.514306      8.375008
  H      -2.205919      2.964106      8.659650
  C      -7.338594      4.165725     -0.742048
  C      -6.531170      3.269425      0.156561
  O      -5.586830      3.734764      0.828329
  C      -6.895761      1.825838      0.246345
  C      -7.658410      1.133149     -0.727004
  C      -7.902840     -0.234830     -0.581971
  C      -7.396426     -0.910599      0.537744
  F      -7.652158     -2.231017      0.620209
  C      -6.644371     -0.251951      1.542467
  C      -6.053185     -0.911345      2.772046
  O      -6.322399     -2.084655      3.123779
  N      -5.243957     -0.008311      3.490085
  C      -4.379332     -0.422559      4.371506
  C      -6.430929      1.116352      1.357019
  C      -6.076044     10.227614     -1.105998
  C      -6.123076      9.064766     -0.140767
  O      -6.779129      8.057215     -0.406961
  C      -5.347286      9.178783      1.135266
  C      -4.505295     10.266880      1.424641
  C      -3.775117     10.308214      2.615317
  C      -3.882459      9.252993      3.510859
  F      -3.169265      9.319196      4.662911
  C      -4.725929      8.164198      3.270463
  C      -4.898325      6.984206      4.167785
  O      -5.983266      6.483464      4.287671
  N      -3.729907      6.462446      4.695834
  C      -3.808467      5.147306      4.729431
  C      -5.455591      8.156301      2.074252
  C     -11.238463     -1.989877      1.424360
  C     -10.547675     -1.744640      2.744621
  O     -10.412187     -2.697259      3.579451
  C     -10.012882     -0.367161      3.016868
  C     -10.217812      0.721228      2.131586
  C      -9.670959      1.969076      2.404602
  C      -8.893147      2.126564      3.544020
  F      -8.342693      3.342198      3.756934
  C      -8.692512      1.088844      4.462021
  C      -7.905629      1.233519      5.740689
  O      -8.294790      0.662386      6.797309
  N      -6.734058      1.941389      5.633021
  C      -6.175658      2.401050      6.738063
  C      -9.278215     -0.149414      4.176141
  H      -8.394983      4.177266     -0.407497
  H      -6.926387      5.186601     -0.707750
  H      -7.340405      3.796363     -1.785517
  H      -8.048053      1.646955     -1.604868
  H      -8.472715     -0.797528     -1.329803
  H      -4.182102     -1.495552      4.558984
  H      -5.891973      1.632762      2.142892
  H      -6.391882     11.163359     -0.610862
  H      -5.049566     10.385327     -1.473709
  H      -6.735780     10.011784     -1.958241
  H      -4.410934     11.091497      0.720720
  H      -3.120620     11.147327      2.862119
  H      -4.735721      4.676552      4.313710
  H      -6.120662      7.314812      1.865068
  H     -11.607032     -3.000157      1.390310
  H     -10.539735     -1.836507      0.618527
  H     -12.074403     -1.311250      1.258655
  H     -10.805692      0.598856      1.215999
  H      -9.830791      2.821746      1.742505
  H      -6.707414      2.438960      7.702734
  H      -9.128432     -0.985134      4.872832
  N      -4.032990      2.641923      3.120583
  H      -4.384318      3.058911      2.225500
88
Coordinates from ORCA-job orca E -6669.421393208760
  N      -3.701029      0.424172      5.136342
  Mo     -3.960895      2.434833      4.828064
  N      -4.941623      2.826245      6.657518
  C      -4.190574      3.338179      7.788189
  C      -2.915839      2.496447      7.938831
  N      -2.252971      2.225798      6.628264
  C      -1.758275      0.832771      6.530200
  C      -2.918784     -0.102773      6.252975
  C      -1.182271      3.199355      6.296624
  C      -1.781395      4.538747      5.883846
  N      -2.973267      4.233974      5.125222
  H      -2.543354     -1.111844      6.021793
  H      -3.568037     -0.192008      7.141647
  H      -1.058854      0.793959      5.684595
  H      -1.214484      0.531182      7.442711
  H      -2.037075      5.167671      6.753877
  H      -1.056630      5.108918      5.278134
  H      -0.479300      3.318270      7.140309
  H      -0.629885      2.780096      5.443338
  H      -4.777447      3.280099      8.720430
  H      -3.942309      4.397717      7.619211
  H      -3.196565      1.526885      8.372401
  H      -2.201842      2.979145      8.628755
  C      -7.337154      4.220957     -0.659033
  C      -6.529004      3.316927      0.225140
  O      -5.601069      3.770584      0.879294
  C      -6.872063      1.868056      0.310490
  C      -7.613937      1.190863     -0.661127
  C      -7.840485     -0.175050     -0.535106
  C      -7.341224     -0.863940      0.562578
  F      -7.585724     -2.184376      0.623492
  C      -6.611750     -0.226260      1.569399
  C      -6.039208     -0.913475      2.775012
  O      -6.300494     -2.071663      3.085090
  N      -5.257188     -0.038524      3.505485
  C      -4.414281     -0.462522      4.384186
  C      -6.407684      1.144620      1.406834
  C      -6.044813     10.275117     -1.117577
  C      -6.097080      9.109143     -0.175381
  O      -6.734285      8.128358     -0.461569
  C      -5.338823      9.196477      1.102246
  C      -4.489796     10.264740      1.403415
  C      -3.766381     10.284812      2.587678
  C      -3.888924      9.227457      3.465389
  F      -3.182957      9.277390      4.610910
  C      -4.744635      8.157357      3.220207
  C      -4.939686      6.978715      4.115939
  O      -6.062892      6.508279      4.280462
  N      -3.769393      6.430286      4.633948
  C      -3.851520      5.121769      4.681484
  C      -5.468873      8.168727      2.027758
  C     -11.210267     -2.012419      1.417807
  C     -10.539814     -1.772374      2.754298
  O     -10.427267     -2.661945      3.568280
  C     -10.006168     -0.398572      3.029802
  C     -10.196161      0.697514      2.140478
  C      -9.642675      1.936433      2.429626
  C      -8.874749      2.083157      3.580685
  F      -8.317276      3.273643      3.808256
  C      -8.692820      1.051625      4.492834
  C      -7.923608      1.199623      5.764083
  O      -8.329683      0.637124      6.797148
  N      -6.749768      1.923343      5.656353
  C      -6.191696      2.389540      6.749425
  C      -9.281259     -0.186617      4.201408
  H      -8.381597      4.227716     -0.330701
  H      -6.936799      5.240095     -0.614553
  H      -7.338080      3.862383     -1.696681
  H      -8.002427      1.717988     -1.530065
  H      -8.395589     -0.728873     -1.285692
  H      -4.220674     -1.537001      4.566440
  H      -5.875288      1.654909      2.201486
  H      -6.367971     11.194005     -0.624374
  H      -5.014758     10.439331     -1.464389
  H      -6.691520     10.071156     -1.974733
  H      -4.379956     11.090865      0.712218
  H      -3.105864     11.109163      2.842771
  H      -4.778001      4.645639      4.279231
  H      -6.141577      7.342474      1.809514
  H     -11.577711     -3.064867      1.393989
  H     -10.477108     -1.852169      0.571823
  H     -12.056017     -1.297663      1.261166
  H     -10.773313      0.578074      1.221746
  H      -9.782649      2.776481      1.778701
  H      -6.717300      2.428290      7.716640
  H      -9.147869     -1.017970      4.895231
  N      -4.089303      2.589479      3.124005
  H      -4.442323      2.981275      2.249262
88
Coordinates from ORCA-job orca E -6669.420365876335
  N      -3.698769      0.425894      5.132455
  Mo     -3.973750      2.429566      4.843087
  N      -4.945978      2.802527      6.682838
  C      -4.192521      3.311809      7.810302
  C      -2.910451      2.478425      7.946281
  N      -2.254068      2.221893      6.629545
  C      -1.749679      0.833147      6.517229
  C      -2.905321     -0.108153      6.240357
  C      -1.191127      3.203909      6.299293
  C      -1.803342      4.541051      5.899235
  N      -2.998635      4.231384      5.146088
  H      -2.523674     -1.112418      5.997863
  H      -3.549119     -0.209977      7.132549
  H      -1.056376      0.805442      5.665184
  H      -1.196896      0.526269      7.423543
  H      -2.058339      5.161396      6.774691
  H      -1.087425      5.121075      5.293527
  H      -0.482552      3.320108      7.139872
  H      -0.641403      2.796680      5.440319
  H      -4.772546      3.242279      8.745521
  H      -3.955583      4.374155      7.646808
  H      -3.182089      1.504894      8.374944
  H      -2.196561      2.960438      8.636129
  C      -7.412442      4.238118     -0.716192
  C      -6.586994      3.348141      0.190448
  O      -5.670731      3.822572      0.848540
  C      -6.910046      1.892611      0.289171
  C      -7.644188      1.201195     -0.681530
  C      -7.859215     -0.163847     -0.547222
  C      -7.355097     -0.840986      0.559277
  F      -7.588208     -2.163617      0.627791
  C      -6.631332     -0.193173      1.566211
  C      -6.056518     -0.880355      2.773339
  O      -6.315001     -2.028404      3.070458
  N      -5.265991     -0.013396      3.507860
  C      -4.413641     -0.447529      4.377365
  C      -6.437983      1.180805      1.396782
  C      -5.956599     10.317533     -1.180894
  C      -6.037866      9.151567     -0.196798
  O      -6.708646      8.141782     -0.446894
  C      -5.285676      9.249275      1.093066
  C      -4.411706     10.315904      1.385081
  C      -3.705837     10.329372      2.584494
  C      -3.868031      9.266158      3.491599
  F      -3.175403      9.309994      4.648692
  C      -4.747883      8.198499      3.253232
  C      -4.979775      7.012420      4.157286
  O      -6.142107      6.563376      4.299932
  N      -3.807856      6.427949      4.676023
  C      -3.886792      5.117677      4.714480
  C      -5.454873      8.218716      2.047312
  C     -11.198869     -2.087993      1.440529
  C     -10.534824     -1.819031      2.778059
  O     -10.425170     -2.693804      3.603014
  C      -9.991691     -0.460529      3.051809
  C     -10.164182      0.601899      2.156771
  C      -9.619350      1.867712      2.423930
  C      -8.863519      2.046342      3.582938
  F      -8.315145      3.281375      3.789119
  C      -8.680852      1.001567      4.531113
  C      -7.919200      1.165782      5.812003
  O      -8.313502      0.634657      6.825252
  N      -6.749135      1.883220      5.692755
  C      -6.192211      2.355097      6.781722
  C      -9.271225     -0.237416      4.244968
  H      -8.468780      4.225495     -0.391648
  H      -7.032269      5.265273     -0.679213
  H      -7.398955      3.878382     -1.754983
  H      -8.038773      1.718565     -1.558143
  H      -8.410267     -0.728001     -1.298229
  H      -4.220031     -1.521053      4.546565
  H      -5.911438      1.702013      2.190767
  H      -6.270930     11.263184     -0.695738
  H      -4.919466     10.461432     -1.535950
  H      -6.601668     10.112525     -2.040561
  H      -4.271408     11.141739      0.674791
  H      -3.029821     11.147426      2.834214
  H      -4.810279      4.644604      4.314484
  H      -6.140878      7.399493      1.832525
  H     -11.571472     -3.102816      1.414821
  H     -10.491262     -1.954190      0.635776
  H     -12.010213     -1.410523      1.254531
  H     -10.727669      0.454031      1.241537
  H      -9.754904      2.718900      1.745709
  H      -6.718466      2.387924      7.752126
  H      -9.154394     -1.047321      4.945484
  N      -4.140024      2.605540      3.100263
  H      -4.516044      3.007866      2.203758
88
Coordinates from ORCA-job orca E -6669.419592262345
  N      -3.677380      0.443391      5.133334
  Mo     -3.938112      2.448145      4.851026
  N      -4.930668      2.821435      6.672817
  C      -4.191268      3.320844      7.811649
  C      -2.914809      2.478827      7.960648
  N      -2.242481      2.224692      6.653428
  C      -1.743354      0.835099      6.541508
  C      -2.899600     -0.096372      6.247226
  C      -1.174659      3.199736      6.341472
  C      -1.772563      4.542144      5.940185
  N      -2.957367      4.243258      5.170503
  H      -2.523159     -1.103961      6.006862
  H      -3.552729     -0.194174      7.131381
  H      -1.038729      0.807192      5.699863
  H      -1.205466      0.522405      7.452899
  H      -2.035812      5.160640      6.813508
  H      -1.046264      5.119213      5.347558
  H      -0.479748      3.308318      7.189160
  H      -0.617443      2.790504      5.490396
  H      -4.784299      3.250156      8.737092
  H      -3.945874      4.382444      7.656689
  H      -3.196319      1.503980      8.379952
  H      -2.207596      2.953990      8.660482
  C      -7.353214      4.155406     -0.750834
  C      -6.555178      3.259497      0.157131
  O      -5.611328      3.731200      0.841385
  C      -6.904918      1.809119      0.244472
  C      -7.660759      1.107400     -0.734761
  C      -7.891568     -0.263843     -0.589618
  C      -7.378585     -0.936901      0.535334
  F      -7.622072     -2.262478      0.617573
  C      -6.632944     -0.271698      1.545359
  C      -6.038694     -0.930452      2.776725
  O      -6.295827     -2.092374      3.118920
  N      -5.241730     -0.029959      3.497263
  C      -4.381066     -0.440505      4.379407
  C      -6.432249      1.102511      1.361587
  C      -6.104453     10.247046     -1.110706
  C      -6.143104      9.095786     -0.125929
  O      -6.837223      8.061978     -0.349330
  C      -5.333957      9.221561      1.136126
  C      -4.454425     10.301171      1.400720
  C      -3.707001     10.336106      2.582264
  C      -3.831797      9.283174      3.496924
  F      -3.101136      9.344462      4.639151
  C      -4.713684      8.204131      3.279115
  C      -4.919245      7.025440      4.188591
  O      -6.062111      6.561514      4.332637
  N      -3.746655      6.456815      4.702076
  C      -3.833884      5.142123      4.732532
  C      -5.457758      8.204939      2.093161
  C     -11.220650     -1.971053      1.432102
  C     -10.538753     -1.708869      2.743029
  O     -10.411018     -2.628537      3.576952
  C     -10.006004     -0.339796      3.003301
  C     -10.202340      0.718893      2.126253
  C      -9.650956      1.946370      2.393172
  C      -8.872299      2.108298      3.532042
  F      -8.314485      3.327765      3.736449
  C      -8.675359      1.076652      4.458865
  C      -7.892140      1.219304      5.736362
  O      -8.279919      0.658901      6.781014
  N      -6.726021      1.922654      5.637999
  C      -6.178662      2.382086      6.748584
  C      -9.267104     -0.135417      4.172694
  H      -8.408527      4.159606     -0.440084
  H      -6.952576      5.177119     -0.704083
  H      -7.330021      3.790756     -1.788376
  H      -8.056467      1.618404     -1.617985
  H      -8.456476     -0.833606     -1.342269
  H      -4.180094     -1.511584      4.564951
  H      -5.896585      1.625255      2.152378
  H      -6.397094     11.188828     -0.615119
  H      -5.089675     10.395356     -1.501623
  H      -6.785027     10.030044     -1.945785
  H      -4.349018     11.119132      0.685362
  H      -3.027658     11.163336      2.812393
  H      -4.758615      4.677817      4.319496
  H      -6.149444      7.376629      1.901758
  H     -11.570923     -3.013313      1.429681
  H     -10.497334     -1.814053      0.606097
  H     -12.091879     -1.273679      1.268666
  H     -10.788430      0.591321      1.218559
  H      -9.809783      2.806540      1.713812
  H      -6.717728      2.414603      7.710848
  H      -9.116295     -0.982093      4.885647
  N      -4.069437      2.630489      3.127931
  H      -4.433867      3.044283      2.245455
88
Coordinates from ORCA-job orca E -6669.421686173729
  N      -3.707268      0.447205      5.137060
  Mo     -3.965455      2.454887      4.844033
  N      -4.931275      2.846170      6.682080
  C      -4.172438      3.352526      7.809535
  C      -2.897812      2.506775      7.945405
  N      -2.247094      2.239875      6.627272
  C      -1.755186      0.847273      6.520604
  C      -2.918905     -0.084152      6.247810
  C      -1.176853      3.211393      6.291361
  C      -1.776458      4.552764      5.889843
  N      -2.973114      4.252855      5.137170
  H      -2.545628     -1.093053      6.010179
  H      -3.563349     -0.175745      7.140274
  H      -1.061394      0.810532      5.669613
  H      -1.205320      0.540784      7.428220
  H      -2.025217      5.177887      6.764699
  H      -1.054822      5.124767      5.282400
  H      -0.466606      3.324442      7.129881
  H      -0.632557      2.794687      5.430991
  H      -4.752843      3.290864      8.745423
  H      -3.923685      4.412380      7.643650
  H      -3.178030      1.535780      8.376200
  H      -2.175982      2.983947      8.632028
  C      -7.390648      4.179799     -0.692432
  C      -6.570644      3.280352      0.194880
  O      -5.628520      3.745704      0.853426
  C      -6.909243      1.829059      0.285258
  C      -7.654819      1.140659     -0.684289
  C      -7.877537     -0.230548     -0.549479
  C      -7.371500     -0.912556      0.556239
  F      -7.613400     -2.235924      0.627966
  C      -6.638233     -0.259740      1.560580
  C      -6.057500     -0.929189      2.778524
  O      -6.316860     -2.100265      3.114742
  N      -5.272197     -0.032209      3.502423
  C      -4.420887     -0.443594      4.385473
  C      -6.438838      1.112594      1.385955
  C      -6.020803     10.248487     -1.126459
  C      -6.075208      9.089742     -0.167853
  O      -6.704812      8.101435     -0.449932
  C      -5.326507      9.192031      1.116556
  C      -4.480742     10.266415      1.407000
  C      -3.761502     10.299719      2.596337
  C      -3.884640      9.250734      3.488086
  F      -3.180300      9.310173      4.637262
  C      -4.738318      8.176485      3.253006
  C      -4.929062      7.005853      4.160751
  O      -6.041310      6.538614      4.339377
  N      -3.759397      6.461631      4.669152
  C      -3.851551      5.150487      4.704758
  C      -5.458300      8.174712      2.056712
  C     -11.195083     -1.963268      1.332638
  C     -10.527895     -1.768154      2.696954
  O     -10.425439     -2.711732      3.508441
  C      -9.984327     -0.402477      3.019365
  C     -10.168067      0.703376      2.157708
  C      -9.616702      1.948536      2.473784
  C      -8.855690      2.084428      3.629098
  F      -8.303874      3.290191      3.879472
  C      -8.676689      1.036138      4.519576
  C      -7.915034      1.179880      5.793952
  O      -8.330999      0.594957      6.827807
  N      -6.737576      1.929029      5.684248
  C      -6.181697      2.402391      6.778126
  C      -9.264345     -0.205407      4.198472
  H      -8.437104      4.176010     -0.361601
  H      -6.997445      5.204993     -0.653528
  H      -7.390105      3.822396     -1.730504
  H      -8.047745      1.661005     -1.555250
  H      -8.433778     -0.791169     -1.296345
  H      -4.221292     -1.515757      4.573616
  H      -5.906232      1.628547      2.175621
  H      -6.354640     11.170541     -0.647501
  H      -4.987964     10.408907     -1.463796
  H      -6.657647     10.039329     -1.990538
  H      -4.369017     11.086637      0.702186
  H      -3.101687     11.128876      2.842695
  H      -4.785379      4.685081      4.301624
  H      -6.127660      7.343679      1.846213
  H     -11.571126     -2.989655      1.265242
  H     -10.484562     -1.790466      0.503759
  H     -12.012973     -1.252071      1.186034
  H     -10.744258      0.598299      1.229112
  H      -9.757826      2.810728      1.835357
  H      -6.706616      2.432768      7.747726
  H      -9.137357     -1.043095      4.869325
  N      -4.114846      2.622877      3.132442
  H      -4.479680      3.021661      2.252158
88
Coordinates from ORCA-job orca E -6669.419597964689
  N      -3.688132      0.418364      5.121480
  Mo     -3.970016      2.426319      4.835198
  N      -4.943996      2.798319      6.669086
  C      -4.196086      3.304763      7.801980
  C      -2.913389      2.473818      7.940470
  N      -2.255255      2.222705      6.624737
  C      -1.744528      0.835777      6.512658
  C      -2.894945     -0.110815      6.232067
  C      -1.196741      3.209778      6.297534
  C      -1.813730      4.545275      5.897107
  N      -3.003952      4.235614      5.136563
  H      -2.508755     -1.113542      5.992247
  H      -3.540812     -0.214923      7.122118
  H      -1.049003      0.811829      5.663117
  H      -1.193088      0.531173      7.420125
  H      -2.074137      5.163034      6.771984
  H      -1.096583      5.128846      5.296552
  H      -0.490670      3.328041      7.138602
  H      -0.643449      2.806006      5.440302
  H      -4.779493      3.231590      8.734219
  H      -3.960405      4.367403      7.642461
  H      -3.184332      1.498420      8.365565
  H      -2.201993      2.954061      8.632616
  C      -7.347353      4.202389     -0.710537
  C      -6.543928      3.323944      0.196876
  O      -5.660663      3.802260      0.851322
  C      -6.875100      1.870057      0.293348
  C      -7.607582      1.185986     -0.674907
  C      -7.833096     -0.174742     -0.542146
  C      -7.339610     -0.853160      0.558175
  F      -7.582492     -2.170825      0.624419
  C      -6.615623     -0.214228      1.561496
  C      -6.046811     -0.904008      2.764366
  O      -6.319509     -2.054700      3.060623
  N      -5.251986     -0.034213      3.495891
  C      -4.398448     -0.462264      4.365737
  C      -6.413893      1.155108      1.395788
  C      -5.990224     10.290010     -1.137627
  C      -6.071271      9.124850     -0.168190
  O      -6.742085      8.135553     -0.423180
  C      -5.318753      9.217995      1.112946
  C      -4.454439     10.283721      1.403862
  C      -3.746494     10.303637      2.597886
  C      -3.896605      9.247294      3.496327
  F      -3.200204      9.296892      4.646909
  C      -4.761453      8.179749      3.258557
  C      -4.969152      7.003880      4.161033
  O      -6.084168      6.541261      4.294917
  N      -3.803009      6.433803      4.674303
  C      -3.886492      5.126784      4.705217
  C      -5.474177      8.191189      2.057383
  C     -11.215529     -2.048850      1.503679
  C     -10.548394     -1.757561      2.807245
  O     -10.432902     -2.613830      3.632803
  C     -10.009473     -0.395032      3.042067
  C     -10.187982      0.674714      2.130395
  C      -9.632912      1.923621      2.377904
  C      -8.866451      2.086803      3.523578
  F      -8.305999      3.278949      3.713121
  C      -8.682425      1.051616      4.476906
  C      -7.908566      1.195380      5.758272
  O      -8.305861      0.664956      6.786633
  N      -6.737630      1.887225      5.659060
  C      -6.189625      2.348327      6.758335
  C      -9.280957     -0.174310      4.213187
  H      -8.399639      4.189017     -0.399515
  H      -6.968055      5.229175     -0.668061
  H      -7.324261      3.836380     -1.747797
  H      -7.994861      1.706923     -1.549389
  H      -8.385076     -0.735102     -1.291990
  H      -4.202810     -1.536232      4.539062
  H      -5.885216      1.670779      2.190592
  H      -6.297864     11.235823     -0.649567
  H      -4.950232     10.432935     -1.497788
  H      -6.640313     10.082547     -1.991082
  H      -4.324336     11.107169      0.699925
  H      -3.076929     11.124866      2.846380
  H      -4.806428      4.660157      4.296710
  H      -6.153885      7.369373      1.843407
  H     -11.585532     -3.080458      1.509650
  H     -10.477988     -1.918945      0.696868
  H     -12.066385     -1.364353      1.312238
  H     -10.757803      0.530541      1.228083
  H      -9.762661      2.747448      1.708973
  H      -6.723694      2.382235      7.723123
  H      -9.158158     -0.982630      4.921588
  N      -4.142789      2.614429      3.112182
  H      -4.523196      3.019355      2.227083
88
Coordinates from ORCA-job orca E -6669.421774415227
  N      -3.712634      0.429320      5.142418
  Mo     -3.973501      2.430533      4.856445
  N      -4.941692      2.823352      6.689908
  C      -4.190073      3.328407      7.817197
  C      -2.915421      2.484245      7.955030
  N      -2.260983      2.219641      6.640386
  C      -1.766414      0.827336      6.532150
  C      -2.926703     -0.105801      6.253497
  C      -1.192675      3.190857      6.310042
  C      -1.792728      4.531660      5.907376
  N      -2.986333      4.230020      5.149414
  H      -2.551508     -1.113948      6.015059
  H      -3.573478     -0.199363      7.142936
  H      -1.070592      0.792703      5.682907
  H      -1.219395      0.518862      7.439965
  H      -2.045960      5.155767      6.780774
  H      -1.070775      5.105023      5.304212
  H      -0.486524      3.303150      7.150129
  H      -0.645643      2.775880      5.453522
  H      -4.772932      3.263607      8.750388
  H      -3.944965      4.389424      7.652975
  H      -3.195879      1.513124      8.383429
  H      -2.197750      2.960769      8.644344
  C      -7.402352      4.181713     -0.725297
  C      -6.590780      3.287035      0.187748
  O      -5.658760      3.758350      0.872044
  C      -6.915500      1.836078      0.270908
  C      -7.652595      1.137497     -0.714522
  C      -7.864372     -0.230966     -0.581388
  C      -7.353076     -0.905020      0.539077
  F      -7.582983     -2.230046      0.609647
  C      -6.627194     -0.245546      1.557130
  C      -6.043110     -0.915871      2.780657
  O      -6.279464     -2.063251      3.093370
  N      -5.268676     -0.034608      3.510083
  C      -4.417729     -0.452560      4.389280
  C      -6.440628      1.129057      1.386079
  C      -6.077873     10.283676     -1.130346
  C      -6.107281      9.133968     -0.151919
  O      -6.781494      8.112754     -0.386773
  C      -5.300656      9.252406      1.111285
  C      -4.407196     10.322104      1.373498
  C      -3.655382     10.347134      2.550646
  C      -3.794172      9.294747      3.466942
  F      -3.060933      9.347715      4.606245
  C      -4.697329      8.226318      3.258932
  C      -4.929812      7.048080      4.180558
  O      -6.112317      6.625374      4.362709
  N      -3.759684      6.446278      4.685629
  C      -3.862292      5.132647      4.718381
  C      -5.440867      8.235655      2.072391
  C     -11.185629     -2.033369      1.390994
  C     -10.523430     -1.771106      2.728981
  O     -10.413029     -2.665037      3.549493
  C      -9.987422     -0.401287      3.016556
  C     -10.171694      0.675673      2.136944
  C      -9.621421      1.923067      2.428356
  C      -8.855591      2.084495      3.588289
  F      -8.298797      3.318106      3.819170
  C      -8.670808      1.041157      4.510694
  C      -7.898244      1.187254      5.794270
  O      -8.278440      0.633753      6.816409
  N      -6.735968      1.903736      5.685474
  C      -6.184650      2.378266      6.781650
  C      -9.261190     -0.191673      4.206951
  H      -8.467604      4.169465     -0.417959
  H      -7.018696      5.204402     -0.668387
  H      -7.366663      3.829441     -1.771364
  H      -8.048949      1.649943     -1.596532
  H      -8.415547     -0.799426     -1.340976
  H      -4.217349     -1.523641      4.569655
  H      -5.916127      1.651747      2.184306
  H      -6.379483     11.215985     -0.631773
  H      -5.068450     10.442629     -1.513175
  H      -6.750914     10.066163     -1.971450
  H      -4.290162     11.139332      0.657502
  H      -2.962548     11.166365      2.776700
  H      -4.791815      4.675512      4.314563
  H      -6.146921      7.415763      1.884495
  H     -11.542531     -3.067399      1.361035
  H     -10.469946     -1.876285      0.580367
  H     -12.021309     -1.351137      1.218354
  H     -10.747370      0.549608      1.212920
  H      -9.767209      2.788085      1.758838
  H      -6.715008      2.413609      7.747196
  H      -9.125245     -1.034150      4.909065
  N      -4.137705      2.606230      3.132208
  H      -4.518001      3.012949      2.256126
88
Coordinates from ORCA-job orca E -6669.421518385012
  N      -3.692134      0.444697      5.128361
  Mo     -3.969608      2.453555      4.847936
  N      -4.931523      2.832130      6.688545
  C      -4.175181      3.336982      7.818334
  C      -2.893582      2.498893      7.946983
  N      -2.245075      2.244724      6.624974
  C      -1.739704      0.857000      6.510048
  C      -2.895076     -0.084089      6.235543
  C      -1.185393      3.227550      6.290206
  C      -1.799238      4.565182      5.897205
  N      -2.994200      4.260859      5.142780
  H      -2.513127     -1.088689      5.993128
  H      -3.536199     -0.185872      7.129295
  H      -1.047936      0.831815      5.657178
  H      -1.184199      0.551340      7.414438
  H      -2.052095      5.181887      6.775653
  H      -1.083977      5.147641      5.293370
  H      -0.472989      3.341669      7.126217
  H      -0.641503      2.820439      5.426890
  H      -4.753761      3.265512      8.754066
  H      -3.934249      4.398969      7.658544
  H      -3.165697      1.523219      8.372403
  H      -2.172909      2.975998      8.633632
  C      -7.421585      4.158486     -0.733922
  C      -6.596614      3.267968      0.168937
  O      -5.650553      3.751633      0.836848
  C      -6.926920      1.808884      0.267257
  C      -7.677929      1.111531     -0.697116
  C      -7.898212     -0.264002     -0.554170
  C      -7.383166     -0.943048      0.554056
  F      -7.622820     -2.270489      0.634434
  C      -6.641239     -0.282842      1.552052
  C      -6.049436     -0.948658      2.770442
  O      -6.322189     -2.122447      3.115054
  N      -5.255793     -0.042429      3.493605
  C      -4.398115     -0.448171      4.376856
  C      -6.445797      1.094612      1.369946
  C      -5.946725     10.276505     -1.159614
  C      -6.054707      9.116394     -0.160505
  O      -6.727884      8.109486     -0.413452
  C      -5.315324      9.220982      1.133822
  C      -4.464503     10.288588      1.426524
  C      -3.762382     10.316880      2.628017
  C      -3.900442      9.268890      3.527868
  F      -3.208958      9.321419      4.685934
  C      -4.755126      8.202462      3.285710
  C      -4.956066      7.032835      4.189310
  O      -6.081698      6.573033      4.350619
  N      -3.785049      6.470430      4.692271
  C      -3.876106      5.159652      4.717117
  C      -5.463789      8.207436      2.082955
  C     -11.202520     -1.935201      1.379950
  C     -10.531540     -1.739732      2.731771
  O     -10.428353     -2.682641      3.555387
  C      -9.979628     -0.396446      3.031726
  C     -10.156550      0.683260      2.163703
  C      -9.600236      1.911347      2.451063
  C      -8.837325      2.052619      3.597488
  F      -8.283523      3.266845      3.813281
  C      -8.659186      1.006962      4.509630
  C      -7.905525      1.160824      5.775008
  O      -8.335939      0.592397      6.803795
  N      -6.723531      1.904060      5.676592
  C      -6.180227      2.378497      6.778975
  C      -9.253729     -0.211142      4.207740
  H      -8.468778      4.139001     -0.418461
  H      -7.039512      5.194821     -0.702779
  H      -7.406827      3.797588     -1.760679
  H      -8.078398      1.629099     -1.568533
  H      -8.458885     -0.829984     -1.295739
  H      -4.191741     -1.518802      4.565639
  H      -5.907295      1.614720      2.154062
  H      -6.260190     11.238224     -0.699717
  H      -4.890580     10.392083     -1.505756
  H      -6.585898     10.074787     -2.022801
  H      -4.341020     11.105592      0.716610
  H      -3.104917     11.137965      2.878720
  H      -4.807002      4.696292      4.308417
  H      -6.131165      7.384595      1.867584
  H     -11.578890     -2.957975      1.335429
  H     -10.483654     -1.775603      0.548847
  H     -12.029659     -1.215055      1.224785
  H     -10.733534      0.573704      1.246449
  H      -9.742748      2.781170      1.786085
  H      -6.713557      2.404301      7.745290
  H      -9.132078     -1.041822      4.891768
  N      -4.140238      2.642619      3.130609
  H      -4.518069      3.047113      2.244919
88
Coordinates from ORCA-job orca E -6669.423362128618
  N      -3.703148      0.436305      5.132016
  Mo     -3.971621      2.445480      4.850059
  N      -4.934693      2.832023      6.687136
  C      -4.179892      3.334665      7.817128
  C      -2.902293      2.493305      7.948689
  N      -2.253282      2.235047      6.629005
  C      -1.753146      0.845050      6.517742
  C      -2.911057     -0.093283      6.242356
  C      -1.188950      3.213232      6.295191
  C      -1.796316      4.552929      5.897967
  N      -2.989625      4.251570      5.140078
  H      -2.531558     -1.099356      6.003541
  H      -3.555780     -0.190709      7.134313
  H      -1.059903      0.814603      5.666290
  H      -1.200979      0.538608      7.424126
  H      -2.049541      5.173498      6.773954
  H      -1.076075      5.131053      5.295363
  H      -0.477924      3.327671      7.132397
  H      -0.643163      2.803091      5.434045
  H      -4.760326      3.265498      8.751818
  H      -3.936844      4.395817      7.656556
  H      -3.179592      1.520036      8.375173
  H      -2.182055      2.968390      8.636834
  C      -7.353402      4.146377     -0.712140
  C      -6.556325      3.264822      0.189847
  O      -5.653792      3.743901      0.858547
  C      -6.892111      1.814227      0.276720
  C      -7.627522      1.125830     -0.696667
  C      -7.853118     -0.239507     -0.563123
  C      -7.359095     -0.916160      0.544502
  F      -7.603374     -2.234645      0.614024
  C      -6.633785     -0.266955      1.551923
  C      -6.063663     -0.936747      2.772207
  O      -6.337361     -2.102676      3.101751
  N      -5.269743     -0.043083      3.496912
  C      -4.412996     -0.453676      4.377959
  C      -6.431579      1.101025      1.379702
  C      -6.076634     10.246378     -1.080733
  C      -6.103840      9.094885     -0.138845
  O      -6.749652      8.104638     -0.408529
  C      -5.323777      9.204645      1.126452
  C      -4.449139     10.279445      1.392276
  C      -3.708220     10.317070      2.568808
  C      -3.842254      9.271672      3.476594
  F      -3.116661      9.336133      4.613065
  C      -4.722670      8.197400      3.264639
  C      -4.925605      7.031873      4.183175
  O      -6.045092      6.579873      4.360984
  N      -3.761381      6.465254      4.684616
  C      -3.863823      5.155863      4.711701
  C      -5.459482      8.190904      2.077848
  C     -11.209195     -1.993855      1.385149
  C     -10.548777     -1.743665      2.721927
  O     -10.447552     -2.664078      3.544359
  C     -10.003165     -0.360856      3.006061
  C     -10.175274      0.723930      2.129819
  C      -9.617136      1.973671      2.416286
  C      -8.854156      2.120685      3.568969
  F      -8.283874      3.305188      3.803937
  C      -8.677953      1.077886      4.485135
  C      -7.900264      1.200267      5.779195
  O      -8.297221      0.637155      6.819522
  N      -6.729444      1.913781      5.678584
  C      -6.180645      2.380741      6.778293
  C      -9.279214     -0.153737      4.183321
  H      -8.406335      4.138759     -0.401904
  H      -6.967881      5.170083     -0.662169
  H      -7.328581      3.779372     -1.755714
  H      -8.013535      1.643751     -1.571026
  H      -8.404411     -0.801695     -1.314129
  H      -4.212962     -1.525861      4.563570
  H      -5.904758      1.616170      2.173423
  H      -6.393749     11.155085     -0.583527
  H      -5.063034     10.420704     -1.440347
  H      -6.736442     10.029549     -1.926625
  H      -4.332037     11.095274      0.677991
  H      -3.024799     11.145599      2.794873
  H      -4.792388      4.700715      4.302044
  H      -6.151533      7.362018      1.886576
  H     -11.586825     -3.025295      1.343643
  H     -10.478011     -1.838899      0.580635
  H     -12.042210     -1.304162      1.214706
  H     -10.743041      0.591148      1.218831
  H      -9.739676      2.806869      1.773555
  H      -6.712224      2.411656      7.744194
  H      -9.157906     -0.987066      4.873279
  N      -4.141517      2.631875      3.135474
  H      -4.519351      3.037460      2.259533
88
Coordinates from ORCA-job orca E -6669.419947451380
  N      -3.722733      0.422998      5.132612
  Mo     -3.999146      2.424657      4.853101
  N      -4.946337      2.813879      6.696002
  C      -4.188889      3.318673      7.818521
  C      -2.910343      2.480543      7.942314
  N      -2.269889      2.222641      6.620298
  C      -1.767179      0.833316      6.505923
  C      -2.923640     -0.107478      6.236985
  C      -1.210334      3.200574      6.279916
  C      -1.822802      4.537687      5.885526
  N      -3.020723      4.232740      5.134217
  H      -2.542986     -1.112514      5.994997
  H      -3.562573     -0.206789      7.131707
  H      -1.079275      0.804052      5.649882
  H      -1.209295      0.527393      7.408332
  H      -2.072053      5.157599      6.762633
  H      -1.108356      5.117178      5.278847
  H      -0.494998      3.315099      7.112514
  H      -0.669981      2.790954      5.416779
  H      -4.763545      3.248463      8.756361
  H      -3.950384      4.380973      7.654964
  H      -3.182782      1.507423      8.370612
  H      -2.187488      2.956900      8.625780
  C      -7.415747      4.186309     -0.701528
  C      -6.609042      3.293014      0.208530
  O      -5.714960      3.760191      0.890059
  C      -6.918430      1.840597      0.284405
  C      -7.643583      1.144428     -0.704259
  C      -7.846300     -0.222516     -0.576749
  C      -7.337910     -0.896691      0.540065
  F      -7.561990     -2.221546      0.605176
  C      -6.622358     -0.241744      1.560425
  C      -6.043017     -0.918831      2.777618
  O      -6.271455     -2.056949      3.073766
  N      -5.278433     -0.045396      3.507447
  C      -4.426254     -0.461429      4.381242
  C      -6.443150      1.132761      1.397036
  C      -5.987819     10.291459     -1.169712
  C      -6.065549      9.140262     -0.167759
  O      -6.735667      8.143876     -0.402506
  C      -5.295696      9.249490      1.111470
  C      -4.413826     10.311334      1.383119
  C      -3.687764     10.334200      2.572162
  C      -3.837805      9.286588      3.487185
  F      -3.124599      9.336612      4.634285
  C      -4.726365      8.225098      3.271194
  C      -4.951232      7.054178      4.191890
  O      -6.102572      6.634212      4.366885
  N      -3.788450      6.449768      4.689328
  C      -3.897677      5.138901      4.713095
  C      -5.452048      8.234726      2.073882
  C     -11.165902     -2.039252      1.417721
  C     -10.504428     -1.782232      2.751851
  O     -10.389639     -2.637629      3.558827
  C      -9.976562     -0.417794      3.032018
  C     -10.167650      0.676721      2.145230
  C      -9.617054      1.924486      2.443057
  C      -8.848001      2.073149      3.603696
  F      -8.297191      3.303765      3.834018
  C      -8.662196      1.030522      4.518073
  C      -7.890413      1.172423      5.797896
  O      -8.269138      0.617188      6.815022
  N      -6.731282      1.887619      5.696731
  C      -6.184769      2.359627      6.793425
  C      -9.250474     -0.205873      4.215954
  H      -8.482194      4.158882     -0.406082
  H      -7.045960      5.208445     -0.628148
  H      -7.365722      3.846909     -1.753583
  H      -8.040465      1.659642     -1.586755
  H      -8.390716     -0.792232     -1.340219
  H      -4.219132     -1.530958      4.558399
  H      -5.922630      1.656351      2.201067
  H      -6.293389     11.247935     -0.692425
  H      -4.957340     10.425015     -1.539428
  H      -6.642087     10.075311     -2.023083
  H      -4.284406     11.125891      0.666221
  H      -3.003349     11.150354      2.805280
  H      -4.825747      4.689056      4.309709
  H      -6.147490      7.417733      1.875822
  H     -11.514365     -3.075565      1.396904
  H     -10.449720     -1.880936      0.598759
  H     -12.011532     -1.348009      1.244688
  H     -10.749540      0.567086      1.213738
  H      -9.770930      2.804179      1.772112
  H      -6.714357      2.388601      7.760558
  H      -9.113941     -1.041663      4.910445
  N      -4.194721      2.615057      3.141853
  H      -4.591071      3.023852      2.277518
88
Coordinates from ORCA-job orca E -6669.424333174102
  N      -3.725620      0.428101      5.135490
  Mo     -3.992156      2.436508      4.855962
  N      -4.945042      2.835607      6.694792
  C      -4.185209      3.342531      7.820713
  C      -2.908829      2.495436      7.949503
  N      -2.264967      2.228056      6.626329
  C      -1.769860      0.834970      6.517005
  C      -2.931555     -0.100475      6.246096
  C      -1.198791      3.201644      6.283532
  C      -1.804107      4.542570      5.886393
  N      -3.003709      4.243190      5.134204
  H      -2.555908     -1.108416      6.008431
  H      -3.573326     -0.193044      7.139314
  H      -1.078998      0.800766      5.664107
  H      -1.216290      0.530238      7.422007
  H      -2.051543      5.164393      6.763740
  H      -1.086420      5.118611      5.279168
  H      -0.483717      3.314148      7.116912
  H      -0.661383      2.785593      5.420018
  H      -4.762994      3.278787      8.757713
  H      -3.937997      4.403135      7.655141
  H      -3.187110      1.523695      8.380401
  H      -2.182655      2.971639      8.631386
  C      -7.426340      4.152235     -0.759983
  C      -6.592074      3.275235      0.166812
  O      -5.664278      3.770084      0.842106
  C      -6.907533      1.815628      0.265497
  C      -7.640576      1.117157     -0.704750
  C      -7.853456     -0.253589     -0.566481
  C      -7.348914     -0.928487      0.543427
  F      -7.582660     -2.253363      0.618668
  C      -6.624298     -0.271113      1.547858
  C      -6.050054     -0.942786      2.764891
  O      -6.326803     -2.101914      3.091508
  N      -5.270565     -0.050545      3.494631
  C      -4.426056     -0.463522      4.380827
  C      -6.434259      1.104858      1.372039
  C      -6.026348     10.307032     -1.114195
  C      -6.080938      9.152411     -0.139490
  O      -6.767208      8.139507     -0.380409
  C      -5.294308      9.259719      1.131675
  C      -4.410715     10.321349      1.407729
  C      -3.676099     10.342789      2.591660
  C      -3.819042      9.293608      3.495747
  F      -3.101890      9.340194      4.640870
  C      -4.711128      8.233960      3.274310
  C      -4.942608      7.062609      4.192083
  O      -6.109731      6.637519      4.377479
  N      -3.769574      6.463393      4.683102
  C      -3.878644      5.151623      4.709690
  C      -5.444023      8.246114      2.084621
  C     -11.189299     -2.002918      1.431134
  C     -10.534217     -1.737271      2.756696
  O     -10.435318     -2.649702      3.586028
  C      -9.976515     -0.396534      3.034060
  C     -10.142067      0.677764      2.139572
  C      -9.574565      1.900657      2.413562
  C      -8.818358      2.059958      3.562379
  F      -8.254798      3.277764      3.763134
  C      -8.648023      1.009693      4.504509
  C      -7.902282      1.174315      5.773595
  O      -8.326819      0.629164      6.790133
  N      -6.724421      1.902085      5.681934
  C      -6.189580      2.383543      6.784558
  C      -9.250346     -0.206969      4.220140
  H      -8.488755      4.112971     -0.458858
  H      -7.061141      5.194234     -0.729263
  H      -7.387982      3.791747     -1.787415
  H      -8.033547      1.632034     -1.579538
  H      -8.401088     -0.820497     -1.314369
  H      -4.224744     -1.535489      4.569930
  H      -5.907723      1.624889      2.161391
  H      -6.322777     11.247350     -0.623060
  H      -5.000906     10.449912     -1.486543
  H      -6.696371     10.100901     -1.957271
  H      -4.289026     11.137320      0.699555
  H      -2.993697     11.157315      2.829430
  H      -4.818195      4.697189      4.305469
  H      -6.142820      7.430909      1.886271
  H     -11.567966     -3.028740      1.405152
  H     -10.450241     -1.861496      0.631961
  H     -12.020380     -1.315713      1.247663
  H     -10.711330      0.551908      1.223897
  H      -9.695694      2.741157      1.744337
  H      -6.726620      2.420622      7.745756
  H      -9.134881     -1.034802      4.925592
  N      -4.184742      2.614298      3.130408
  H      -4.575383      3.014559      2.241233
88
Coordinates from ORCA-job orca E -6669.422930591774
  N      -3.702011      0.446162      5.136776
  Mo     -3.985223      2.453485      4.863999
  N      -4.926873      2.836042      6.711357
  C      -4.165677      3.338212      7.835082
  C      -2.882972      2.502370      7.950046
  N      -2.248728      2.250320      6.622658
  C      -1.742147      0.863823      6.504917
  C      -2.897603     -0.079401      6.239811
  C      -1.193696      3.233795      6.278306
  C      -1.811241      4.570577      5.889833
  N      -3.008250      4.265828      5.140121
  H      -2.515274     -1.083766      5.997414
  H      -3.534032     -0.180372      7.137805
  H      -1.056123      0.838280      5.647113
  H      -1.179917      0.558708      7.405953
  H      -2.059705      5.187916      6.768767
  H      -1.098861      5.153382      5.283139
  H      -0.473549      3.350212      7.107662
  H      -0.656398      2.827628      5.410896
  H      -4.736595      3.262606      8.774780
  H      -3.929715      4.400471      7.675415
  H      -3.151535      1.527054      8.376497
  H      -2.156827      2.977962      8.630972
  C      -7.414925      4.110078     -0.706206
  C      -6.627646      3.224939      0.191963
  O      -5.713555      3.705089      0.874465
  C      -6.954381      1.770931      0.272751
  C      -7.694216      1.070335     -0.704673
  C      -7.905289     -0.302833     -0.567564
  C      -7.390983     -0.975800      0.547667
  F      -7.621121     -2.301868      0.621914
  C      -6.660334     -0.311083      1.557004
  C      -6.065494     -0.965591      2.786329
  O      -6.310327     -2.133504      3.130908
  N      -5.276809     -0.057331      3.505823
  C      -4.404598     -0.450020      4.387460
  C      -6.475880      1.062927      1.379294
  C      -5.997041     10.250136     -1.133586
  C      -6.069335      9.100397     -0.147779
  O      -6.735091      8.100094     -0.395531
  C      -5.309149      9.214364      1.132853
  C      -4.440273     10.281247      1.401680
  C      -3.720492     10.318269      2.593796
  C      -3.864340      9.278915      3.510550
  F      -3.154561      9.338464      4.658885
  C      -4.735970      8.214094      3.291965
  C      -4.938770      7.056374      4.212716
  O      -6.055038      6.615464      4.392874
  N      -3.775846      6.482570      4.703191
  C      -3.884245      5.174197      4.721852
  C      -5.458407      8.209287      2.095555
  C     -11.170594     -1.917535      1.302773
  C     -10.506101     -1.736061      2.669956
  O     -10.398978     -2.685821      3.479848
  C      -9.971871     -0.358238      2.991438
  C     -10.158371      0.730222      2.150797
  C      -9.617569      1.989726      2.458513
  C      -8.846143      2.112909      3.616214
  F      -8.285364      3.298376      3.876872
  C      -8.657551      1.062572      4.500261
  C      -7.876626      1.167768      5.796894
  O      -8.265255      0.578577      6.833312
  N      -6.711846      1.899569      5.703058
  C      -6.168955      2.369744      6.806529
  C      -9.248681     -0.163977      4.166654
  H      -8.462047      4.097496     -0.411752
  H      -7.032824      5.134834     -0.643463
  H      -7.376080      3.749048     -1.747321
  H      -8.093532      1.583269     -1.581823
  H      -8.458481     -0.874063     -1.319652
  H      -4.188256     -1.517078      4.576611
  H      -5.945536      1.585691      2.171483
  H      -6.307960     11.194925     -0.663275
  H      -4.958946     10.386006     -1.489438
  H      -6.646895     10.036576     -1.986870
  H      -4.313576     11.091720      0.679473
  H      -3.045170     11.139771      2.824608
  H      -4.812251      4.726426      4.315939
  H      -6.140947      7.387275      1.898847
  H     -11.534069     -2.947784      1.234592
  H     -10.457528     -1.731583      0.475882
  H     -12.005000     -1.205772      1.159929
  H     -10.730217      0.612020      1.238595
  H      -9.763000      2.868300      1.816392
  H      -6.701554      2.388574      7.773492
  H      -9.118517     -1.006089      4.831163
  N      -4.177803      2.652049      3.153002
  H      -4.569765      3.062638      2.288433
88
Coordinates from ORCA-job orca E -6669.426497429326
  N      -3.720518      0.442904      5.117278
  Mo     -4.001766      2.448051      4.852406
  N      -4.946135      2.830726      6.694597
  C      -4.190769      3.332728      7.819786
  C      -2.911582      2.495720      7.940100
  N      -2.273990      2.242259      6.616112
  C      -1.770321      0.854270      6.497651
  C      -2.924507     -0.086097      6.222864
  C      -1.216314      3.222745      6.277537
  C      -1.830491      4.559678      5.889299
  N      -3.024824      4.258709      5.133106
  H      -2.542193     -1.090466      5.980626
  H      -3.566304     -0.187705      7.115518
  H      -1.080410      0.828782      5.643268
  H      -1.213644      0.546239      7.400288
  H      -2.082099      5.175194      6.768361
  H      -1.114707      5.142830      5.287607
  H      -0.499377      3.335815      7.109213
  H      -0.676760      2.816645      5.411485
  H      -4.765573      3.256965      8.756821
  H      -3.953895      4.395507      7.661025
  H      -3.182869      1.520578      8.365244
  H      -2.187168      2.969824      8.623699
  C      -7.425456      4.139634     -0.703550
  C      -6.587050      3.244050      0.194378
  O      -5.696199      3.722596      0.874425
  C      -6.902071      1.789258      0.268247
  C      -7.636217      1.096571     -0.709693
  C      -7.852298     -0.273093     -0.577780
  C      -7.351807     -0.949758      0.533235
  F      -7.592631     -2.271590      0.605252
  C      -6.626184     -0.295883      1.542301
  C      -6.052862     -0.959047      2.765597
  O      -6.320098     -2.121648      3.097690
  N      -5.267640     -0.052518      3.483605
  C      -4.412281     -0.449910      4.363696
  C      -6.431878      1.075760      1.371324
  C      -6.000620     10.297122     -1.116688
  C      -6.060671      9.146711     -0.139959
  O      -6.709788      8.159981     -0.397140
  C      -5.286788      9.253346      1.131127
  C      -4.395905     10.314789      1.388727
  C      -3.659118     10.344022      2.567484
  C      -3.812470      9.303558      3.485369
  F      -3.089526      9.358067      4.623414
  C      -4.710490      8.243637      3.283276
  C      -4.936994      7.083582      4.214273
  O      -6.075629      6.666964      4.411880
  N      -3.776495      6.482926      4.699939
  C      -3.895578      5.172273      4.713529
  C      -5.443153      8.245478      2.094376
  C     -11.189367     -1.998564      1.408899
  C     -10.529910     -1.765441      2.745927
  O     -10.427020     -2.665568      3.566055
  C      -9.983853     -0.407171      3.027997
  C     -10.163074      0.689461      2.145250
  C      -9.597700      1.920472      2.439070
  C      -8.832577      2.060154      3.588778
  F      -8.272498      3.279344      3.808712
  C      -8.657284      1.013993      4.501468
  C      -7.890189      1.153725      5.777861
  O      -8.295439      0.591896      6.813223
  N      -6.722008      1.878804      5.685979
  C      -6.185784      2.360570      6.785390
  C      -9.254935     -0.216010      4.206222
  H      -8.493972      4.097455     -0.389235
  H      -7.064622      5.169195     -0.633573
  H      -7.386824      3.812499     -1.764205
  H      -8.029705      1.614699     -1.584588
  H      -8.402555     -0.838537     -1.331347
  H      -4.201661     -1.518590      4.552703
  H      -5.906431      1.593320      2.168485
  H      -6.314516     11.232359     -0.637210
  H      -4.973908     10.444244     -1.473830
  H      -6.649812     10.083894     -1.970741
  H      -4.262958     11.126465      0.665422
  H      -2.962793     11.161782      2.787569
  H      -4.826464      4.729598      4.303512
  H      -6.147791      7.428151      1.908392
  H     -11.556904     -3.021846      1.377821
  H     -10.462889     -1.846438      0.602493
  H     -12.027783     -1.299302      1.232178
  H     -10.745342      0.588381      1.219238
  H      -9.731648      2.777377      1.783700
  H      -6.722261      2.384640      7.748946
  H      -9.127041     -1.054918      4.898463
  N      -4.204675      2.648930      3.150198
  H      -4.602629      3.055717      2.285994
88
Coordinates from ORCA-job orca E -6669.422394793127
  N      -3.751194      0.426326      5.140645
  Mo     -4.017528      2.433523      4.865409
  N      -4.949121      2.851145      6.709205
  C      -4.179914      3.358008      7.829615
  C      -2.905401      2.503625      7.948556
  N      -2.274473      2.228631      6.618996
  C      -1.784517      0.833508      6.510942
  C      -2.950882     -0.100470      6.251043
  C      -1.204807      3.195497      6.263847
  C      -1.807613      4.538405      5.868997
  N      -3.013864      4.240085      5.123895
  H      -2.577531     -1.109564      6.014737
  H      -3.589518     -0.188515      7.147730
  H      -1.099551      0.793267      5.653244
  H      -1.225953      0.528839      7.413353
  H      -2.047421      5.163620      6.747108
  H      -1.091338      5.111335      5.256141
  H      -0.480920      3.307016      7.090266
  H      -0.676890      2.774676      5.395612
  H      -4.751688      3.299274      8.771206
  H      -3.929545      4.417459      7.658856
  H      -3.186448      1.534998      8.384676
  H      -2.171066      2.978043      8.623865
  C      -7.484203      4.113764     -0.742505
  C      -6.676608      3.263795      0.182709
  O      -5.757510      3.773866      0.855717
  C      -6.963357      1.800400      0.278547
  C      -7.675763      1.089477     -0.695838
  C      -7.855175     -0.281644     -0.564014
  C      -7.336158     -0.944961      0.543364
  F      -7.536536     -2.273861      0.611211
  C      -6.632263     -0.276920      1.552829
  C      -6.044522     -0.945043      2.765365
  O      -6.267955     -2.089103      3.069207
  N      -5.298497     -0.064164      3.498962
  C      -4.451776     -0.472444      4.385215
  C      -6.476518      1.101140      1.384909
  C      -5.998631     10.305170     -1.114568
  C      -6.060006      9.158104     -0.129913
  O      -6.755852      8.146448     -0.356671
  C      -5.270109      9.273909      1.138819
  C      -4.392451     10.333325      1.417484
  C      -3.656857     10.357838      2.602277
  C      -3.792232      9.313951      3.503962
  F      -3.072433      9.363415      4.648218
  C      -4.679119      8.257173      3.280459
  C      -4.907846      7.091094      4.194087
  O      -6.070133      6.683466      4.377597
  N      -3.746520      6.473995      4.683450
  C      -3.880716      5.162740      4.706602
  C      -5.412053      8.265519      2.088961
  C     -11.147971     -2.034597      1.385075
  C     -10.508583     -1.756468      2.723169
  O     -10.418118     -2.646703      3.535829
  C      -9.961488     -0.390783      3.016798
  C     -10.130365      0.690669      2.133349
  C      -9.569342      1.923834      2.425949
  C      -8.813287      2.080455      3.582431
  F      -8.253163      3.293920      3.804895
  C      -8.638419      1.030478      4.510696
  C      -7.882114      1.180471      5.788310
  O      -8.280681      0.629997      6.792033
  N      -6.717144      1.909145      5.702206
  C      -6.187668      2.394476      6.804148
  C      -9.238362     -0.192114      4.208295
  H      -8.534427      4.057531     -0.472445
  H      -7.141976      5.158347     -0.695211
  H      -7.410748      3.746957     -1.756021
  H      -8.078443      1.595753     -1.572632
  H      -8.386950     -0.860369     -1.317784
  H      -4.239953     -1.542239      4.572725
  H      -5.961725      1.630255      2.177327
  H      -6.289473     11.252215     -0.626089
  H      -4.975372     10.442814     -1.494743
  H      -6.671460     10.090291     -1.955172
  H      -4.278236     11.145110      0.714329
  H      -2.979807     11.171037      2.841782
  H      -4.825629      4.725442      4.307366
  H      -6.106328      7.452154      1.888285
  H     -11.518593     -3.079907      1.342226
  H     -10.404832     -1.876369      0.586844
  H     -11.976160     -1.357480      1.207123
  H     -10.697842      0.564489      1.213576
  H      -9.691966      2.767746      1.768933
  H      -6.724370      2.430653      7.764791
  H      -9.115250     -1.032755      4.909595
  N      -4.249973      2.620072      3.132305
  H      -4.665729      3.029810      2.248760
88
Coordinates from ORCA-job orca E -6669.426786702765
  N      -3.726998      0.430396      5.139410
  Mo     -4.018812      2.438524      4.868820
  N      -4.948014      2.837317      6.714461
  C      -4.185063      3.345757      7.833966
  C      -2.902674      2.507374      7.948404
  N      -2.273026      2.246090      6.619406
  C      -1.765852      0.858235      6.506470
  C      -2.920194     -0.087870      6.245501
  C      -1.219213      3.227057      6.265785
  C      -1.837976      4.561948      5.873688
  N      -3.037434      4.256167      5.125418
  H      -2.537842     -1.093236      6.009057
  H      -3.555318     -0.183248      7.143737
  H      -1.080692      0.830343      5.648527
  H      -1.202384      0.558947      7.407619
  H      -2.084383      5.181669      6.751899
  H      -1.127703      5.143572      5.263755
  H      -0.496792      3.345447      7.092049
  H      -0.687089      2.814798      5.398692
  H      -4.753834      3.274049      8.775406
  H      -3.947908      4.407906      7.668799
  H      -3.170079      1.533803      8.380776
  H      -2.172208      2.985977      8.622781
  C      -7.467236      4.111329     -0.727045
  C      -6.637499      3.229224      0.192347
  O      -5.740751      3.721484      0.885848
  C      -6.939850      1.770533      0.271539
  C      -7.674472      1.070056     -0.705553
  C      -7.878178     -0.301698     -0.570041
  C      -7.363117     -0.974678      0.544730
  F      -7.590524     -2.300667      0.620126
  C      -6.636959     -0.313915      1.553576
  C      -6.054835     -0.974947      2.781663
  O      -6.313833     -2.130809      3.116656
  N      -5.278165     -0.074555      3.503730
  C      -4.420762     -0.470000      4.389348
  C      -6.455452      1.061877      1.377727
  C      -5.992323     10.328805     -1.115981
  C      -6.058191      9.178270     -0.140498
  O      -6.763483      8.174065     -0.372657
  C      -5.266886      9.278243      1.127509
  C      -4.359916     10.325963      1.389546
  C      -3.624919     10.342794      2.574067
  C      -3.790961      9.302367      3.492168
  F      -3.068545      9.342035      4.635399
  C      -4.701013      8.256892      3.281472
  C      -4.940253      7.096672      4.207274
  O      -6.104500      6.697713      4.410674
  N      -3.778520      6.479398      4.686079
  C      -3.905871      5.171198      4.706410
  C      -5.435815      8.273048      2.091946
  C     -11.162717     -1.971241      1.362394
  C     -10.497443     -1.761352      2.710024
  O     -10.388478     -2.680326      3.523548
  C      -9.958873     -0.404961      3.010715
  C     -10.144171      0.681925      2.145070
  C      -9.598951      1.934703      2.431782
  C      -8.826366      2.064774      3.591471
  F      -8.260426      3.252188      3.833353
  C      -8.636170      1.002567      4.506492
  C      -7.871697      1.133041      5.791638
  O      -8.267643      0.558806      6.811170
  N      -6.708101      1.874480      5.704118
  C      -6.182738      2.362826      6.808750
  C      -9.232239     -0.211467      4.188665
  H      -8.536674      4.065979     -0.431808
  H      -7.103212      5.149548     -0.668020
  H      -7.414380      3.766685     -1.776036
  H      -8.077960      1.583590     -1.580982
  H      -8.427850     -0.871468     -1.322143
  H      -4.200569     -1.536935      4.580370
  H      -5.929239      1.584088      2.171220
  H      -6.277111     11.270033     -0.627579
  H      -4.965297     10.458861     -1.490697
  H      -6.667820     10.128971     -1.955738
  H      -4.219260     11.134960      0.669743
  H      -2.924146     11.146735      2.800690
  H      -4.842485      4.727078      4.302976
  H      -6.149066      7.468774      1.901683
  H     -11.520675     -3.000377      1.318965
  H     -10.447108     -1.800676      0.539781
  H     -12.001448     -1.267181      1.204115
  H     -10.713543      0.556190      1.238367
  H      -9.740384      2.806534      1.772326
  H      -6.720099      2.385975      7.771423
  H      -9.111120     -1.030083      4.857655
  N      -4.231821      2.638552      3.155763
  H      -4.639327      3.049997      2.289690
88
Coordinates from ORCA-job orca E -6669.422107545849
  N      -3.720895      0.455609      5.106179
  Mo     -4.018411      2.462485      4.859548
  N      -4.943352      2.835360      6.714260
  C      -4.179749      3.332379      7.836599
  C      -2.895618      2.499877      7.937579
  N      -2.272500      2.257454      6.604346
  C      -1.762191      0.872560      6.475081
  C      -2.913750     -0.072538      6.205433
  C      -1.221737      3.244588      6.258997
  C      -1.846403      4.579882      5.883917
  N      -3.044824      4.278626      5.132674
  H      -2.526690     -1.074054      5.956472
  H      -3.549388     -0.182035      7.102728
  H      -1.078937      0.854469      5.614640
  H      -1.195947      0.562518      7.372048
  H      -2.093918      5.189025      6.768149
  H      -1.137297      5.170249      5.280886
  H      -0.495068      3.357298      7.083553
  H      -0.689299      2.846439      5.384595
  H      -4.745205      3.247510      8.778568
  H      -3.949064      4.396250      7.682907
  H      -3.159470      1.521540      8.359344
  H      -2.165221      2.971449      8.616600
  C      -7.464656      4.100946     -0.683427
  C      -6.657812      3.216608      0.204243
  O      -5.758057      3.703803      0.889677
  C      -6.954296      1.755665      0.269099
  C      -7.682462      1.056194     -0.709986
  C      -7.877979     -0.320925     -0.584055
  C      -7.363715     -0.996832      0.521698
  F      -7.584461     -2.325013      0.587653
  C      -6.643252     -0.334037      1.531070
  C      -6.057173     -0.986977      2.754981
  O      -6.315781     -2.160820      3.099214
  N      -5.271617     -0.061456      3.469615
  C      -4.404711     -0.443309      4.350984
  C      -6.467937      1.042020      1.364294
  C      -5.933334     10.286091     -1.144803
  C      -6.010341      9.140430     -0.149900
  O      -6.645674      8.161348     -0.406294
  C      -5.268338      9.251456      1.136473
  C      -4.393378     10.312398      1.395435
  C      -3.679141     10.350282      2.586624
  C      -3.838471      9.318246      3.513861
  F      -3.133687      9.379437      4.661107
  C      -4.721310      8.259630      3.310365
  C      -4.943483      7.109605      4.246818
  O      -6.061355      6.698324      4.446375
  N      -3.788955      6.508156      4.722950
  C      -3.915816      5.199903      4.724030
  C      -5.435965      8.252233      2.111508
  C     -11.173201     -1.965440      1.358579
  C     -10.530715     -1.743011      2.707600
  O     -10.442659     -2.665999      3.524093
  C      -9.978134     -0.387552      3.014762
  C     -10.143170      0.707335      2.157077
  C      -9.571748      1.932210      2.473954
  C      -8.816198      2.067257      3.618949
  F      -8.251280      3.289088      3.853639
  C      -8.651328      1.022248      4.510103
  C      -7.881317      1.141922      5.793359
  O      -8.288809      0.570390      6.833633
  N      -6.713786      1.870555      5.707404
  C      -6.181631      2.350132      6.809722
  C      -9.252230     -0.214682      4.200327
  H      -8.516732      4.055021     -0.393405
  H      -7.109999      5.130095     -0.598807
  H      -7.409513      3.766956     -1.732339
  H      -8.086998      1.573600     -1.579896
  H      -8.422489     -0.891593     -1.337707
  H      -4.179466     -1.508324      4.540180
  H      -5.943540      1.563286      2.160982
  H      -6.259823     11.233141     -0.685864
  H      -4.894072     10.424097     -1.486227
  H      -6.562633     10.067206     -2.009713
  H      -4.252219     11.119189      0.661949
  H      -2.994213     11.169437      2.807991
  H      -4.845960      4.767805      4.313265
  H      -6.127110      7.433705      1.922737
  H     -11.547126     -2.988860      1.303296
  H     -10.434182     -1.803537      0.565869
  H     -12.004759     -1.266326      1.181937
  H     -10.722070      0.615895      1.225680
  H      -9.696209      2.795406      1.832716
  H      -6.718711      2.363358      7.774851
  H      -9.120725     -1.097006      4.902283
  N      -4.241824      2.679300      3.169024
  H      -4.646260      3.086870      2.316728
88
Coordinates from ORCA-job orca E -6669.429221319591
  N      -3.745696      0.438795      5.132744
  Mo     -4.028796      2.445548      4.871791
  N      -4.949411      2.852416      6.720329
  C      -4.182470      3.357149      7.838688
  C      -2.904328      2.511387      7.948030
  N      -2.281119      2.245972      6.616086
  C      -1.783360      0.854831      6.501999
  C      -2.943189     -0.084183      6.240009
  C      -1.220880      3.219893      6.259691
  C      -1.832281      4.558629      5.870498
  N      -3.034729      4.258939      5.123052
  H      -2.565118     -1.091062      6.002681
  H      -3.580672     -0.177307      7.136657
  H      -1.099191      0.821937      5.643506
  H      -1.221553      0.550552      7.402520
  H      -2.074617      5.179327      6.749854
  H      -1.118784      5.137346      5.260665
  H      -0.494388      3.334084      7.083166
  H      -0.693615      2.805260      5.389031
  H      -4.749769      3.288078      8.781472
  H      -3.941006      4.418450      7.672924
  H      -3.177842      1.539704      8.380729
  H      -2.168957      2.985121      8.621155
  C      -7.485676      4.081356     -0.727787
  C      -6.658819      3.215641      0.186092
  O      -5.773616      3.720376      0.870474
  C      -6.949629      1.754515      0.265989
  C      -7.669848      1.048665     -0.711193
  C      -7.862527     -0.322786     -0.578186
  C      -7.351624     -0.989133      0.533774
  F      -7.568077     -2.314485      0.605245
  C      -6.639657     -0.323285      1.543695
  C      -6.059542     -0.979474      2.770092
  O      -6.304904     -2.139146      3.100330
  N      -5.292018     -0.073384      3.491986
  C      -4.434786     -0.463591      4.378785
  C      -6.468524      1.050836      1.370783
  C      -5.995142     10.318621     -1.096552
  C      -6.062833      9.170754     -0.117336
  O      -6.746962      8.178224     -0.357933
  C      -5.270013      9.277543      1.144888
  C      -4.375179     10.332062      1.405403
  C      -3.626542     10.357684      2.579505
  C      -3.770267      9.319905      3.489320
  F      -3.036449      9.368654      4.623356
  C      -4.674452      8.268399      3.284800
  C      -4.905527      7.113010      4.211433
  O      -6.050730      6.715319      4.413909
  N      -3.751972      6.494603      4.690181
  C      -3.896455      5.185603      4.707112
  C      -5.417636      8.273952      2.101185
  C     -11.151733     -1.985892      1.359051
  C     -10.500748     -1.759393      2.708258
  O     -10.406784     -2.673003      3.519689
  C      -9.954869     -0.395377      3.012220
  C     -10.134218      0.705138      2.142185
  C      -9.572570      1.934672      2.446673
  C      -8.806741      2.066506      3.601725
  F      -8.247746      3.283417      3.833786
  C      -8.630345      1.018266      4.503477
  C      -7.865395      1.151491      5.782921
  O      -8.264348      0.577776      6.809686
  N      -6.704428      1.885239      5.707414
  C      -6.183616      2.375215      6.812835
  C      -9.228714     -0.206137      4.192435
  H      -8.549109      4.019991     -0.439232
  H      -7.142104      5.120231     -0.661653
  H      -7.421383      3.737739     -1.773087
  H      -8.069999      1.558206     -1.587200
  H      -8.400943     -0.897933     -1.332069
  H      -4.215056     -1.530264      4.571572
  H      -5.950439      1.575840      2.165354
  H      -6.285373     11.264477     -0.611722
  H      -4.968028     10.451224     -1.470762
  H      -6.663578     10.108907     -1.938767
  H      -4.253358     11.140706      0.692407
  H      -2.930140     11.168996      2.802752
  H      -4.838699      4.755426      4.304902
  H      -6.126262      7.463521      1.914166
  H     -11.518278     -3.019184      1.307857
  H     -10.421662     -1.817582      0.550033
  H     -11.986543     -1.287894      1.193846
  H     -10.714260      0.605470      1.214463
  H      -9.704132      2.796213      1.797492
  H      -6.724486      2.400897      7.772052
  H      -9.107030     -1.042498      4.871132
  N      -4.268649      2.645731      3.158871
  H      -4.687985      3.056071      2.292053
88
Coordinates from ORCA-job orca E -6669.423492213959
  N      -3.733449      0.430521      5.127149
  Mo     -4.055851      2.438870      4.881786
  N      -4.952344      2.819916      6.746354
  C      -4.179310      3.323931      7.860006
  C      -2.888583      2.496431      7.946563
  N      -2.281485      2.252941      6.603927
  C      -1.760559      0.870789      6.473873
  C      -2.907646     -0.085667      6.221529
  C      -1.242629      3.245712      6.240123
  C      -1.882783      4.575243      5.868375
  N      -3.088331      4.265732      5.128818
  H      -2.515803     -1.085522      5.974192
  H      -3.531154     -0.194857      7.127196
  H      -1.086729      0.856559      5.605985
  H      -1.181038      0.570526      7.365255
  H      -2.124385      5.183478      6.754541
  H      -1.186254      5.170362      5.256560
  H      -0.506537      3.364337      7.054997
  H      -0.720877      2.846588      5.362091
  H      -4.733487      3.237915      8.808695
  H      -3.954323      4.388817      7.701695
  H      -3.140530      1.516890      8.374233
  H      -2.150555      2.973325      8.613534
  C      -7.550128      4.090592     -0.720217
  C      -6.727677      3.218703      0.199138
  O      -5.812336      3.721854      0.894987
  C      -6.997591      1.751508      0.277562
  C      -7.723841      1.037333     -0.700583
  C      -7.893456     -0.343317     -0.568987
  C      -7.352826     -1.012033      0.542192
  F      -7.547727     -2.348672      0.614101
  C      -6.634009     -0.337183      1.550849
  C      -6.027079     -0.993456      2.770098
  O      -6.251187     -2.144085      3.096661
  N      -5.275359     -0.088133      3.492145
  C      -4.412864     -0.473106      4.374435
  C      -6.485964      1.047982      1.380323
  C      -5.897460     10.337742     -1.178232
  C      -5.991612      9.193396     -0.169353
  O      -6.674151      8.196203     -0.404132
  C      -5.235665      9.292878      1.121497
  C      -4.315592     10.328200      1.373918
  C      -3.606417     10.343902      2.573913
  C      -3.810953      9.315224      3.516836
  F      -3.108125      9.353048      4.671565
  C      -4.732263      8.282481      3.315849
  C      -4.992267      7.133238      4.263154
  O      -6.171544      6.766115      4.495061
  N      -3.832056      6.491412      4.722537
  C      -3.962551      5.185716      4.725834
  C      -5.444736      8.299761      2.112118
  C     -11.115286     -1.943366      1.345557
  C     -10.469446     -1.736065      2.691270
  O     -10.365058     -2.658461      3.491989
  C      -9.940601     -0.382013      3.004089
  C     -10.121500      0.711532      2.157259
  C      -9.580742      1.963880      2.457419
  C      -8.813722      2.080414      3.611741
  F      -8.240924      3.241611      3.874718
  C      -8.620338      0.988468      4.523049
  C      -7.861118      1.093999      5.813363
  O      -8.263265      0.518581      6.812331
  N      -6.695992      1.842056      5.735439
  C      -6.180743      2.324563      6.847472
  C      -9.215435     -0.217911      4.188191
  H      -8.606111      4.027437     -0.452855
  H      -7.205985      5.134525     -0.649705
  H      -7.473146      3.751788     -1.749635
  H      -8.145824      1.546739     -1.574017
  H      -8.434686     -0.923674     -1.321857
  H      -4.170483     -1.535311      4.558157
  H      -5.959983      1.580227      2.172962
  H      -6.206133     11.287885     -0.719660
  H      -4.857400     10.453962     -1.524414
  H      -6.540349     10.137838     -2.041978
  H      -4.137577     11.127702      0.628867
  H      -2.893097     11.138122      2.791870
  H      -4.897108      4.749471      4.323158
  H      -6.164168      7.504497      1.925775
  H     -11.467069     -2.965068      1.287064
  H     -10.388097     -1.763400      0.550410
  H     -11.954191     -1.252603      1.176712
  H     -10.679088      0.584482      1.264297
  H      -9.716972      2.831117      1.819241
  H      -6.720726      2.329553      7.812578
  H      -9.078171     -1.083742      4.868881
  N      -4.307124      2.665367      3.182088
  H      -4.731194      3.079172      2.330872
88
Coordinates from ORCA-job orca E -6669.429283004572
  N      -3.750284      0.436051      5.127536
  Mo     -4.049470      2.446421      4.875897
  N      -4.952661      2.849906      6.733552
  C      -4.180653      3.355446      7.847032
  C      -2.899435      2.514538      7.943936
  N      -2.288538      2.253922      6.605721
  C      -1.783490      0.864936      6.487174
  C      -2.940032     -0.080516      6.231885
  C      -1.236514      3.234151      6.241308
  C      -1.859273      4.569256      5.860153
  N      -3.063014      4.267278      5.115420
  H      -2.558177     -1.086338      5.994714
  H      -3.572594     -0.175384      7.132538
  H      -1.103872      0.836773      5.624635
  H      -1.214279      0.564032      7.384583
  H      -2.100335      5.185576      6.742341
  H      -1.152119      5.154110      5.249268
  H      -0.503433      3.351402      7.059219
  H      -0.713983      2.823559      5.366192
  H      -4.740218      3.281240      8.794085
  H      -3.944698      4.417728      7.682164
  H      -3.165032      1.541084      8.377241
  H      -2.158697      2.989350      8.610697
  C      -7.502296      4.064702     -0.719106
  C      -6.676474      3.198680      0.196108
  O      -5.791644      3.704409      0.890327
  C      -6.954929      1.736015      0.266344
  C      -7.676377      1.030877     -0.711595
  C      -7.864258     -0.342113     -0.582486
  C      -7.349021     -1.010180      0.526555
  F      -7.564063     -2.336316      0.595969
  C      -6.635071     -0.345291      1.535936
  C      -6.057243     -0.997887      2.763717
  O      -6.323596     -2.155308      3.100648
  N      -5.287037     -0.085259      3.482310
  C      -4.431554     -0.469631      4.371579
  C      -6.465551      1.029688      1.365565
  C      -5.959948     10.351163     -1.112034
  C      -6.025397      9.204452     -0.136808
  O      -6.728511      8.212601     -0.367470
  C      -5.239884      9.302439      1.131757
  C      -4.334675     10.344297      1.392157
  C      -3.605081     10.361438      2.578089
  C      -3.776082      9.327444      3.498653
  F      -3.058851      9.367340      4.642866
  C      -4.683954      8.288336      3.290090
  C      -4.927574      7.136569      4.221207
  O      -6.083349      6.758390      4.434649
  N      -3.776525      6.501457      4.690198
  C      -3.923936      5.195279      4.702406
  C      -5.413808      8.302906      2.098644
  C     -11.149840     -1.978729      1.345569
  C     -10.508374     -1.745041      2.692509
  O     -10.415850     -2.661880      3.498048
  C      -9.958270     -0.397837      3.011451
  C     -10.127611      0.687785      2.161124
  C      -9.568617      1.930266      2.469116
  C      -8.803739      2.059914      3.623795
  F      -8.237558      3.266618      3.869135
  C      -8.623311      0.990464      4.528643
  C      -7.859238      1.112324      5.812955
  O      -8.257666      0.541930      6.824812
  N      -6.697938      1.863293      5.729503
  C      -6.181491      2.359750      6.832588
  C      -9.227223     -0.227075      4.201668
  H      -8.567500      3.996957     -0.441533
  H      -7.163273      5.105758     -0.643078
  H      -7.426337      3.725692     -1.764900
  H      -8.082870      1.542411     -1.583256
  H      -8.403946     -0.916323     -1.336075
  H      -4.205350     -1.535725      4.563373
  H      -5.946400      1.553427      2.160678
  H      -6.245234     11.292069     -0.625587
  H      -4.935485     10.481999     -1.487050
  H      -6.633220     10.146675     -1.951688
  H      -4.190729     11.149703      0.670044
  H      -2.905509     11.162190      2.803918
  H      -4.863631      4.766278      4.298955
  H      -6.126864      7.502415      1.909169
  H     -11.514871     -3.016881      1.286341
  H     -10.409648     -1.803675      0.547726
  H     -11.985524     -1.290156      1.177682
  H     -10.701077      0.580312      1.242535
  H      -9.703606      2.812828      1.816006
  H      -6.720329      2.375814      7.794513
  H      -9.103263     -1.075583      4.879124
  N      -4.288636      2.654138      3.176755
  H      -4.703411      3.060393      2.325308
88
Coordinates from ORCA-job orca E -6669.424339595771
  N      -3.766256      0.443790      5.135082
  Mo     -4.062392      2.450040      4.891711
  N      -4.952942      2.857171      6.751764
  C      -4.177067      3.358070      7.865311
  C      -2.895502      2.512402      7.954495
  N      -2.289558      2.251943      6.612563
  C      -1.789652      0.862582      6.488972
  C      -2.949874     -0.077778      6.235642
  C      -1.235008      3.227178      6.244748
  C      -1.853311      4.565311      5.866168
  N      -3.062743      4.266292      5.127613
  H      -2.571283     -1.083192      5.993517
  H      -3.578866     -0.173649      7.138102
  H      -1.114351      0.833875      5.623200
  H      -1.217564      0.556961      7.382616
  H      -2.087859      5.181606      6.750668
  H      -1.147392      5.148833      5.252038
  H      -0.497915      3.338654      7.058824
  H      -0.719618      2.815463      5.366060
  H      -4.734342      3.283257      8.813255
  H      -3.939111      4.420380      7.701991
  H      -3.162970      1.538584      8.386118
  H      -2.151626      2.982931      8.620061
  C      -7.573441      4.045978     -0.748694
  C      -6.745797      3.194258      0.174196
  O      -5.874988      3.714710      0.865704
  C      -7.004721      1.725362      0.254612
  C      -7.709784      1.005377     -0.725550
  C      -7.875472     -0.372187     -0.591804
  C      -7.351976     -1.030325      0.524495
  F      -7.545078     -2.362162      0.598310
  C      -6.653208     -0.349423      1.536988
  C      -6.061344     -0.998306      2.767469
  O      -6.269750     -2.161008      3.098129
  N      -5.313731     -0.086613      3.491364
  C      -4.448728     -0.464825      4.380921
  C      -6.509424      1.030091      1.362079
  C      -5.944594     10.312466     -1.104347
  C      -6.026275      9.168008     -0.113878
  O      -6.694560      8.186552     -0.361810
  C      -5.248000      9.278722      1.155402
  C      -4.348239     10.331925      1.407497
  C      -3.604366     10.365508      2.585319
  C      -3.758169      9.337154      3.506219
  F      -3.027341      9.391286      4.643461
  C      -4.669417      8.287381      3.311523
  C      -4.907461      7.142241      4.250415
  O      -6.045985      6.761843      4.474090
  N      -3.758490      6.513232      4.713061
  C      -3.921013      5.204113      4.721537
  C      -5.408222      8.284635      2.123832
  C     -11.103697     -1.955907      1.345098
  C     -10.444972     -1.769224      2.702497
  O     -10.344915     -2.697140      3.508221
  C      -9.909960     -0.394320      3.010457
  C     -10.107428      0.744175      2.134285
  C      -9.545731      1.953749      2.455705
  C      -8.777855      2.071903      3.606363
  F      -8.220382      3.282885      3.849860
  C      -8.601170      1.032228      4.484591
  C      -7.838402      1.156038      5.765938
  O      -8.235204      0.557119      6.804500
  N      -6.685242      1.883119      5.721252
  C      -6.181991      2.367735      6.842100
  C      -9.186723     -0.203356      4.177308
  H      -8.636177      3.959326     -0.475396
  H      -7.252116      5.092252     -0.677191
  H      -7.489676      3.709009     -1.791770
  H      -8.119274      1.508179     -1.604001
  H      -8.401561     -0.958333     -1.347706
  H      -4.210633     -1.526366      4.574486
  H      -5.999064      1.565091      2.156748
  H      -6.245738     11.264864     -0.632780
  H      -4.911273     10.438795     -1.463614
  H      -6.596405     10.100948     -1.958357
  H      -4.217387     11.132792      0.684586
  H      -2.902461     11.177311      2.800921
  H      -4.870613      4.785807      4.321767
  H      -6.120572      7.474443      1.942419
  H     -11.462172     -2.977326      1.284725
  H     -10.387359     -1.774652      0.528164
  H     -11.944298     -1.246055      1.193302
  H     -10.692319      0.661241      1.198426
  H      -9.674416      2.795135      1.831901
  H      -6.729787      2.385266      7.797404
  H      -9.059903     -1.037407      4.841584
  N      -4.341838      2.671821      3.174821
  H      -4.785444      3.095672      2.303773
88
Coordinates from ORCA-job orca E -6669.430750102123
  N      -3.769798      0.439796      5.134277
  Mo     -4.071146      2.446600      4.890483
  N      -4.953758      2.858775      6.755290
  C      -4.175413      3.364562      7.863443
  C      -2.894412      2.520653      7.949621
  N      -2.296290      2.256306      6.605489
  C      -1.795726      0.866318      6.484761
  C      -2.954999     -0.076833      6.235869
  C      -1.244550      3.232971      6.230622
  C      -1.866762      4.568784      5.852047
  N      -3.075994      4.266987      5.114866
  H      -2.575253     -1.082783      5.997243
  H      -3.583859     -0.170766      7.138569
  H      -1.121645      0.835831      5.618171
  H      -1.221860      0.564115      7.378436
  H      -2.101293      5.186355      6.735677
  H      -1.162415      5.152763      5.236350
  H      -0.503775      3.349252      7.041610
  H      -0.731426      2.819873      5.350760
  H      -4.728769      3.291409      8.814294
  H      -3.939538      4.426729      7.695898
  H      -3.159518      1.548236      8.385930
  H      -2.146722      2.993883      8.609468
  C      -7.539317      4.034555     -0.741141
  C      -6.709191      3.180388      0.180023
  O      -5.833479      3.701639      0.873387
  C      -6.978755      1.713005      0.257857
  C      -7.691661      0.997390     -0.720702
  C      -7.869089     -0.378511     -0.586282
  C      -7.352016     -1.039348      0.529606
  F      -7.556232     -2.368660      0.604035
  C      -6.646586     -0.363551      1.540425
  C      -6.064496     -1.010243      2.772710
  O      -6.308206     -2.170335      3.110093
  N      -5.304521     -0.092108      3.490835
  C      -4.446641     -0.469213      4.380588
  C      -6.487482      1.014074      1.364168
  C      -5.956095     10.354540     -1.099462
  C      -6.049414      9.208617     -0.105493
  O      -6.735064      8.223320     -0.346631
  C      -5.252210      9.309316      1.155424
  C      -4.332722     10.348968      1.403635
  C      -3.576808     10.367335      2.572829
  C      -3.739165      9.337443      3.490642
  F      -2.995561      9.377318      4.618671
  C      -4.668928      8.301766      3.299189
  C      -4.917489      7.155895      4.235512
  O      -6.073882      6.789520      4.458443
  N      -3.769537      6.509708      4.695963
  C      -3.933307      5.203037      4.706644
  C      -5.418002      8.314195      2.120184
  C     -11.118356     -1.950777      1.324606
  C     -10.472254     -1.750543      2.683634
  O     -10.382540     -2.671736      3.486053
  C      -9.927909     -0.392223      3.003966
  C     -10.103775      0.710427      2.151504
  C      -9.545835      1.944787      2.466160
  C      -8.779323      2.061475      3.623667
  F      -8.214626      3.264276      3.873990
  C      -8.600284      0.994283      4.518202
  C      -7.839912      1.113060      5.802871
  O      -8.241679      0.532355      6.818832
  N      -6.682362      1.860607      5.741475
  C      -6.178668      2.359517      6.852262
  C      -9.201026     -0.220593      4.188530
  H      -8.602612      3.955345     -0.466070
  H      -7.209723      5.079198     -0.666550
  H      -7.458878      3.695579     -1.785752
  H      -8.097999      1.502671     -1.598024
  H      -8.400523     -0.960681     -1.340945
  H      -4.214900     -1.532748      4.575222
  H      -5.971849      1.544907      2.158460
  H      -6.239183     11.313159     -0.625381
  H      -4.919759     10.465707     -1.470412
  H      -6.620781     10.152078     -1.945604
  H      -4.194420     11.150544      0.682445
  H      -2.859107     11.166358      2.784957
  H      -4.880739      4.784444      4.309207
  H      -6.144900      7.516064      1.941806
  H     -11.480766     -2.980397      1.258992
  H     -10.391175     -1.771148      0.517061
  H     -11.950353     -1.247790      1.165050
  H     -10.675681      0.606741      1.233621
  H      -9.676541      2.817003      1.825539
  H      -6.724182      2.373978      7.809038
  H      -9.075139     -1.075442      4.863150
  N      -4.347479      2.657024      3.184892
  H      -4.784915      3.066128      2.326663
88
Coordinates from ORCA-job orca E -6669.427124835243
  N      -3.766332      0.433147      5.122573
  Mo     -4.086066      2.446148      4.890750
  N      -4.958733      2.838479      6.766502
  C      -4.178944      3.339447      7.875327
  C      -2.892122      2.505614      7.947418
  N      -2.303364      2.257762      6.597539
  C      -1.789628      0.872271      6.466622
  C      -2.941856     -0.079622      6.219832
  C      -1.263633      3.245820      6.222927
  C      -1.901142      4.577830      5.857457
  N      -3.108811      4.275198      5.117819
  H      -2.554621     -1.082614      5.977720
  H      -3.565273     -0.181502      7.126454
  H      -1.119118      0.852785      5.596413
  H      -1.208218      0.571151      7.356333
  H      -2.137921      5.185899      6.745203
  H      -1.203415      5.172027      5.245850
  H      -0.519429      3.363517      7.030180
  H      -0.750953      2.844441      5.339877
  H      -4.725908      3.253310      8.828187
  H      -3.952329      4.403542      7.716326
  H      -3.146463      1.527702      8.377216
  H      -2.143014      2.977261      8.605664
  C      -7.570280      4.042642     -0.698142
  C      -6.745087      3.177242      0.218373
  O      -5.862877      3.682649      0.930682
  C      -6.991618      1.714003      0.270708
  C      -7.697206      1.007041     -0.717298
  C      -7.854335     -0.369495     -0.603654
  C      -7.323724     -1.039311      0.499281
  F      -7.512254     -2.369461      0.554908
  C      -6.625140     -0.370723      1.517444
  C      -6.029980     -1.021582      2.740036
  O      -6.239322     -2.177778      3.060090
  N      -5.295305     -0.107665      3.467713
  C      -4.431403     -0.478329      4.361629
  C      -6.487340      1.007551      1.362461
  C      -5.903857     10.370962     -1.145297
  C      -5.954125      9.228834     -0.177951
  O      -6.673185      8.242144     -0.396006
  C      -5.189660      9.319420      1.104383
  C      -4.286323     10.351130      1.365951
  C      -3.583859     10.364525      2.568734
  C      -3.782015      9.337019      3.505608
  F      -3.094208      9.373201      4.667555
  C      -4.687423      8.308471      3.296324
  C      -4.951696      7.166701      4.248308
  O      -6.109377      6.814360      4.479524
  N      -3.810512      6.513749      4.709705
  C      -3.967799      5.211015      4.712268
  C      -5.391411      8.325894      2.087899
  C     -11.117111     -1.972381      1.360686
  C     -10.486865     -1.729141      2.690305
  O     -10.390230     -2.666676      3.484792
  C      -9.941123     -0.384918      3.018813
  C     -10.124018      0.732079      2.175252
  C      -9.560226      1.959211      2.498011
  C      -8.785974      2.059679      3.646442
  F      -8.220107      3.258063      3.900059
  C      -8.603472      0.981727      4.530793
  C      -7.838866      1.085658      5.809941
  O      -8.243550      0.500442      6.820866
  N      -6.678907      1.837269      5.747939
  C      -6.180517      2.328786      6.864786
  C      -9.206231     -0.233249      4.197609
  H      -8.634198      3.955644     -0.447685
  H      -7.255074      5.085354     -0.602927
  H      -7.462583      3.721169     -1.738891
  H      -8.114549      1.519055     -1.584376
  H      -8.381061     -0.945387     -1.364822
  H      -4.181278     -1.538873      4.549254
  H      -5.977209      1.533038      2.163232
  H      -6.195774     11.293214     -0.657273
  H      -4.890299     10.513315     -1.512426
  H      -6.575815     10.167165     -1.986817
  H      -4.121879     11.153171      0.630652
  H      -2.887747     11.158137      2.797318
  H      -4.906531      4.793277      4.308139
  H      -6.103339      7.532578      1.896448
  H     -11.477666     -3.011318      1.289347
  H     -10.358316     -1.783283      0.594934
  H     -11.967879     -1.303465      1.187540
  H     -10.710923      0.660114      1.249787
  H      -9.700320      2.848011      1.860179
  H      -6.728686      2.329598      7.823996
  H      -9.085186     -1.068871      4.847111
  N      -4.352699      2.672356      3.210304
  H      -4.776105      3.079141      2.372701
88
Coordinates from ORCA-job orca E -6669.430238505263
  N      -3.791393      0.438671      5.135941
  Mo     -4.105951      2.449083      4.907879
  N      -4.957139      2.860944      6.786814
  C      -4.168166      3.362973      7.888098
  C      -2.884415      2.520787      7.952036
  N      -2.306665      2.261287      6.597806
  C      -1.803660      0.872085      6.469476
  C      -2.964381     -0.072982      6.232818
  C      -1.262302      3.240037      6.209381
  C      -1.893161      4.574543      5.841946
  N      -3.109437      4.274302      5.113824
  H      -2.585125     -1.079088      5.992711
  H      -3.584448     -0.165637      7.142384
  H      -1.138701      0.844035      5.595234
  H      -1.218807      0.571431      7.356848
  H      -2.119341      5.188072      6.729999
  H      -1.197290      5.162410      5.221235
  H      -0.510404      3.355148      7.010273
  H      -0.761608      2.829168      5.321920
  H      -4.709119      3.283692      8.845163
  H      -3.936282      4.425892      7.722594
  H      -3.140817      1.546024      8.387793
  H      -2.126428      2.992124      8.601725
  C      -7.606745      3.998864     -0.746496
  C      -6.765426      3.149395      0.184239
  O      -5.909701      3.675082      0.893714
  C      -7.004309      1.679550      0.250649
  C      -7.707827      0.959491     -0.731414
  C      -7.870675     -0.417655     -0.600033
  C      -7.349051     -1.074838      0.516887
  F      -7.544037     -2.405365      0.591416
  C      -6.650302     -0.394788      1.529273
  C      -6.071158     -1.034135      2.767662
  O      -6.324331     -2.193106      3.111833
  N      -5.317554     -0.107628      3.483979
  C      -4.460425     -0.475831      4.379826
  C      -6.503429      0.983477      1.354069
  C      -5.916767     10.384176     -1.114899
  C      -5.978776      9.242686     -0.143352
  O      -6.712147      8.257681     -0.356930
  C      -5.196343      9.333988      1.128923
  C      -4.283082     10.363629      1.386206
  C      -3.561616     10.375881      2.579411
  C      -3.748876      9.348647      3.510759
  F      -3.041918      9.381211      4.663643
  C      -4.665411      8.323317      3.306129
  C      -4.930308      7.183826      4.253074
  O      -6.092257      6.841055      4.490505
  N      -3.788869      6.521611      4.705186
  C      -3.964019      5.217549      4.712238
  C      -5.387668      8.341749      2.107552
  C     -11.087888     -1.919569      1.303063
  C     -10.439436     -1.745580      2.668142
  O     -10.348763     -2.668986      3.459624
  C      -9.896485     -0.396074      3.004461
  C     -10.072904      0.714205      2.163360
  C      -9.513944      1.945607      2.493726
  C      -8.753158      2.067890      3.644975
  F      -8.188073      3.267575      3.909194
  C      -8.576267      0.995476      4.527830
  C      -7.818157      1.099660      5.820092
  O      -8.216597      0.513590      6.827444
  N      -6.664202      1.852433      5.769437
  C      -6.174396      2.350673      6.888083
  C      -9.169751     -0.235544      4.193082
  H      -8.676772      3.887973     -0.491327
  H      -7.304844      5.052634     -0.661481
  H      -7.499042      3.676173     -1.790083
  H      -8.121694      1.462851     -1.606933
  H      -8.396624     -1.003404     -1.356491
  H      -4.218505     -1.537453      4.576182
  H      -5.994858      1.517060      2.150389
  H      -6.189501     11.319899     -0.623502
  H      -4.901597     10.511867     -1.494577
  H      -6.599756     10.184356     -1.949087
  H      -4.128735     11.163651      0.657678
  H      -2.858825     11.166865      2.804591
  H      -4.916535      4.805224      4.317148
  H      -6.107623      7.551831      1.920160
  H     -11.445036     -2.945925      1.227464
  H     -10.367694     -1.728312      0.488122
  H     -11.918769     -1.208660      1.154623
  H     -10.646144      0.620942      1.240725
  H      -9.640830      2.815738      1.866456
  H      -6.722250      2.355719      7.844972
  H      -9.041762     -1.105607      4.863525
  N      -4.401218      2.668039      3.208393
  H      -4.844223      3.076173      2.356035
88
Coordinates from ORCA-job orca E -6669.429500206557
  N      -3.807497      0.438471      5.143427
  Mo     -4.115391      2.449782      4.914416
  N      -4.952170      2.871416      6.797756
  C      -4.159275      3.374711      7.895057
  C      -2.877876      2.527613      7.953115
  N      -2.309245      2.261718      6.594920
  C      -1.812799      0.870320      6.467638
  C      -2.978052     -0.071785      6.238443
  C      -1.262960      3.236716      6.198161
  C      -1.890435      4.572977      5.831024
  N      -3.110750      4.274074      5.108508
  H      -2.603035     -1.079575      6.000450
  H      -3.595520     -0.159603      7.149991
  H      -1.152230      0.837032      5.590999
  H      -1.225486      0.569772      7.353183
  H      -2.110943      5.189625      6.719520
  H      -1.194606      5.158290      5.206105
  H      -0.506365      3.352437      6.994497
  H      -0.767802      2.821779      5.308165
  H      -4.696617      3.298883      8.855062
  H      -3.925696      4.437258      7.725991
  H      -3.136623      1.555229      8.393113
  H      -2.114412      2.997614      8.597204
  C      -7.562373      3.973381     -0.774249
  C      -6.742439      3.140930      0.161028
  O      -5.888730      3.686341      0.863950
  C      -6.993044      1.667183      0.239827
  C      -7.691756      0.940015     -0.740418
  C      -7.856736     -0.437989     -0.602273
  C      -7.342273     -1.088972      0.519152
  F      -7.536270     -2.419915      0.597925
  C      -6.650721     -0.402450      1.531909
  C      -6.076659     -1.038910      2.773090
  O      -6.318055     -2.199585      3.113868
  N      -5.332798     -0.113545      3.492258
  C      -4.477258     -0.478746      4.389381
  C      -6.502444      0.976194      1.350713
  C      -5.953640     10.357879     -1.078454
  C      -6.069966      9.211516     -0.069799
  O      -6.743609      8.244311     -0.320138
  C      -5.268619      9.313047      1.186261
  C      -4.326892     10.348806      1.415641
  C      -3.549444     10.372958      2.570197
  C      -3.711261      9.354514      3.490765
  F      -2.940197      9.398855      4.601583
  C      -4.665246      8.323451      3.319319
  C      -4.915428      7.190278      4.261132
  O      -6.073113      6.849474      4.515632
  N      -3.773805      6.526071      4.701174
  C      -3.960744      5.222888      4.708568
  C      -5.434771      8.329637      2.154314
  C     -11.091545     -1.909628      1.298990
  C     -10.452822     -1.711737      2.660112
  O     -10.369559     -2.646742      3.454916
  C      -9.901161     -0.355514      2.995127
  C     -10.074553      0.753460      2.153275
  C      -9.512363      1.980315      2.474460
  C      -8.738895      2.074959      3.636152
  F      -8.169410      3.273510      3.895270
  C      -8.560541      0.997285      4.521714
  C      -7.801025      1.102558      5.808457
  O      -8.205529      0.512943      6.821280
  N      -6.648102      1.857335      5.769528
  C      -6.166873      2.357338      6.893396
  C      -9.170388     -0.197218      4.177596
  H      -8.626632      3.877389     -0.518023
  H      -7.248712      5.023102     -0.692285
  H      -7.458001      3.631161     -1.819733
  H      -8.096701      1.438125     -1.621557
  H      -8.376589     -1.028933     -1.358310
  H      -4.234242     -1.539292      4.586043
  H      -5.996514      1.513262      2.146198
  H      -6.232002     11.341216     -0.615993
  H      -4.900484     10.448494     -1.446863
  H      -6.609104     10.157620     -1.930877
  H      -4.185738     11.140392      0.687592
  H      -2.808314     11.170064      2.763449
  H      -4.917020      4.818689      4.317430
  H      -6.177708      7.534851      1.989586
  H     -11.456600     -2.941902      1.217546
  H     -10.354591     -1.719723      0.502733
  H     -11.924920     -1.211842      1.142657
  H     -10.648047      0.658353      1.239566
  H      -9.641724      2.860867      1.839120
  H      -6.720485      2.360028      7.844551
  H      -9.048377     -1.050691      4.839885
  N      -4.425335      2.666040      3.212386
  H      -4.876244      3.075007      2.358964
88
Coordinates from ORCA-job orca E -6669.433395487175
  N      -3.824778      0.436690      5.144083
  Mo     -4.146600      2.448474      4.925110
  N      -4.959319      2.869875      6.821187
  C      -4.159252      3.374487      7.912111
  C      -2.875707      2.530740      7.954727
  N      -2.324312      2.267033      6.589100
  C      -1.824517      0.876714      6.457210
  C      -2.987931     -0.068965      6.236211
  C      -1.285486      3.245231      6.180960
  C      -1.921949      4.578952      5.821521
  N      -3.145816      4.277555      5.105139
  H      -2.610194     -1.075631      5.997211
  H      -3.599732     -0.158731      7.151353
  H      -1.170386      0.845792      5.575324
  H      -1.229135      0.577680      7.338000
  H      -2.138266      5.193007      6.712164
  H      -1.232755      5.168033      5.193349
  H      -0.519710      3.363108      6.968848
  H      -0.799171      2.833055      5.285506
  H      -4.686776      3.294821      8.877263
  H      -3.930663      4.437701      7.742419
  H      -3.127309      1.557289      8.396851
  H      -2.104877      3.001263      8.589626
  C      -7.629170      3.958769     -0.746700
  C      -6.792876      3.119557      0.185270
  O      -5.941726      3.658246      0.899624
  C      -7.018837      1.646298      0.249203
  C      -7.707584      0.920105     -0.737379
  C      -7.854967     -0.459743     -0.608834
  C      -7.334647     -1.113250      0.509736
  F      -7.515123     -2.446057      0.580221
  C      -6.652372     -0.426414      1.527937
  C      -6.074463     -1.060062      2.769191
  O      -6.301209     -2.219771      3.107686
  N      -5.340804     -0.128811      3.488306
  C      -4.480944     -0.484384      4.388196
  C      -6.518877      0.953716      1.354867
  C      -5.911592     10.410911     -1.096204
  C      -6.005902      9.265464     -0.111713
  O      -6.728537      8.297392     -0.339353
  C      -5.204647      9.349710      1.146792
  C      -4.261114     10.368872      1.386407
  C      -3.511874     10.377066      2.559227
  C      -3.705948      9.358261      3.489755
  F      -2.969671      9.387019      4.622397
  C      -4.657306      8.343754      3.305663
  C      -4.933169      7.214073      4.258751
  O      -6.093794      6.890879      4.501517
  N      -3.800752      6.530602      4.700899
  C      -3.995272      5.228997      4.707690
  C      -5.399787      8.365370      2.122934
  C     -11.060145     -1.902903      1.286273
  C     -10.420028     -1.721426      2.642299
  O     -10.329429     -2.663087      3.423585
  C      -9.876440     -0.372547      2.992206
  C     -10.055382      0.749827      2.167963
  C      -9.495054      1.975271      2.509693
  C      -8.723229      2.062841      3.665601
  F      -8.156827      3.255208      3.942483
  C      -8.542973      0.976491      4.531916
  C      -7.788507      1.070338      5.818233
  O      -8.197626      0.470891      6.819690
  N      -6.637572      1.836622      5.791080
  C      -6.168529      2.339456      6.919990
  C      -9.144064     -0.233226      4.176985
  H      -8.694392      3.843106     -0.501791
  H      -7.334981      5.011152     -0.652706
  H      -7.509564      3.636927     -1.790305
  H      -8.119237      1.420107     -1.615391
  H      -8.366873     -1.050079     -1.369660
  H      -4.227117     -1.542200      4.586031
  H      -6.018943      1.491240      2.154634
  H      -6.179931     11.363451     -0.615751
  H      -4.879165     10.516527     -1.469585
  H      -6.585787     10.220461     -1.937018
  H      -4.102126     11.162264      0.656669
  H      -2.778672     11.160814      2.766819
  H      -4.952481      4.829447      4.320105
  H      -6.145735      7.584013      1.950419
  H     -11.415738     -2.933246      1.196358
  H     -10.325518     -1.699256      0.494880
  H     -11.900642     -1.207415      1.137534
  H     -10.633450      0.674791      1.247159
  H      -9.628157      2.866045      1.888073
  H      -6.726470      2.332237      7.869771
  H      -9.018249     -1.099044      4.826242
  N      -4.473705      2.667261      3.235339
  H      -4.930587      3.070412      2.390257
88
Coordinates from ORCA-job orca E -6669.432834505597
  N      -3.847991      0.430277      5.148458
  Mo     -4.173381      2.446688      4.946495
  N      -4.949170      2.868063      6.858627
  C      -4.140399      3.363625      7.941447
  C      -2.857359      2.520729      7.957466
  N      -2.330469      2.263050      6.582432
  C      -1.832244      0.872582      6.440774
  C      -2.999518     -0.071483      6.233415
  C      -1.299665      3.241910      6.163380
  C      -1.942047      4.575417      5.817285
  N      -3.170702      4.279216      5.107878
  H      -2.626124     -1.080342      5.994136
  H      -3.601432     -0.156522      7.156353
  H      -1.188379      0.842905      5.550675
  H      -1.226060      0.573331      7.314340
  H      -2.149877      5.184799      6.712134
  H      -1.259881      5.167777      5.186711
  H      -0.524733      3.357411      6.941492
  H      -0.824777      2.832700      5.261707
  H      -4.654681      3.275184      8.911848
  H      -3.915486      4.427579      7.776856
  H      -3.100721      1.545213      8.397668
  H      -2.074645      2.986925      8.580797
  C      -7.632093      3.897569     -0.773083
  C      -6.815328      3.073792      0.180572
  O      -6.002253      3.625249      0.923976
  C      -7.024813      1.602897      0.230090
  C      -7.707634      0.874472     -0.763721
  C      -7.851182     -0.502369     -0.638228
  C      -7.331279     -1.150474      0.485197
  F      -7.513741     -2.479292      0.556474
  C      -6.650727     -0.460981      1.507039
  C      -6.074022     -1.082516      2.758834
  O      -6.311632     -2.241862      3.103461
  N      -5.350292     -0.143049      3.479599
  C      -4.493572     -0.491050      4.387531
  C      -6.521899      0.914738      1.334350
  C      -5.897508     10.410925     -1.130279
  C      -5.992937      9.269751     -0.124460
  O      -6.715012      8.295318     -0.338974
  C      -5.204613      9.359567      1.146793
  C      -4.288302     10.379196      1.399328
  C      -3.553437     10.388152      2.587045
  C      -3.732115      9.368353      3.517588
  F      -3.015263      9.396647      4.667571
  C      -4.658219      8.355211      3.321901
  C      -4.935266      7.229589      4.283521
  O      -6.111127      6.941193      4.587244
  N      -3.807575      6.537040      4.710704
  C      -4.013800      5.239265      4.714132
  C      -5.392232      8.375983      2.128706
  C     -11.053232     -1.841621      1.281079
  C     -10.415164     -1.669942      2.642576
  O     -10.330538     -2.615929      3.421165
  C      -9.860007     -0.333252      3.000434
  C     -10.037391      0.792287      2.176442
  C      -9.468098      2.013156      2.516744
  C      -8.694403      2.107218      3.662249
  F      -8.122542      3.311957      3.935543
  C      -8.511177      1.006215      4.535341
  C      -7.744285      1.078887      5.831525
  O      -8.139640      0.482921      6.840778
  N      -6.600149      1.832796      5.815490
  C      -6.147932      2.330508      6.955952
  C      -9.120325     -0.200889      4.183245
  H      -8.708537      3.765911     -0.557541
  H      -7.348837      4.953087     -0.665499
  H      -7.476634      3.575213     -1.820418
  H      -8.121204      1.370961     -1.641004
  H      -8.361684     -1.094587     -1.402641
  H      -4.229103     -1.547134      4.583068
  H      -6.026529      1.451025      2.135018
  H      -6.173343     11.369172     -0.655909
  H      -4.870470     10.516627     -1.505161
  H      -6.567602     10.211312     -1.976387
  H      -4.138983     11.173907      0.669297
  H      -2.847810     11.171578      2.809013
  H      -4.973914      4.847863      4.326832
  H      -6.116220      7.594607      1.945361
  H     -11.415565     -2.875641      1.180164
  H     -10.313084     -1.634539      0.488257
  H     -11.885236     -1.140112      1.134314
  H     -10.619307      0.719271      1.258670
  H      -9.595031      2.890623      1.903673
  H      -6.711786      2.311665      7.902702
  H      -8.995108     -1.063594      4.828496
  N      -4.505260      2.673488      3.262350
  H      -4.957181      3.078144      2.426940
88
Coordinates from ORCA-job orca E -6669.436578497430
  N      -3.912953      0.428760      5.165375
  Mo     -4.239197      2.452168      4.974989
  N      -4.952160      2.889468      6.913175
  C      -4.123336      3.380695      7.982391
  C      -2.843152      2.530775      7.960886
  N      -2.357946      2.269376      6.568748
  C      -1.869428      0.875309      6.420609
  C      -3.046689     -0.064572      6.242965
  C      -1.333255      3.244108      6.120381
  C      -1.980684      4.579627      5.790845
  N      -3.224321      4.287556      5.101661
  H      -2.681039     -1.076409      6.004889
  H      -3.632689     -0.140072      7.177246
  H      -1.245247      0.837978      5.517039
  H      -1.245667      0.577759      7.282352
  H      -2.169484      5.186971      6.691700
  H      -1.309782      5.173425      5.148601
  H      -0.536986      3.356870      6.877122
  H      -0.884696      2.832811      5.205406
  H      -4.616373      3.290071      8.963891
  H      -3.898722      4.444301      7.815809
  H      -3.080014      1.555835      8.406251
  H      -2.039248      2.991737      8.560801
  C      -7.705451      3.868385     -0.788921
  C      -6.875013      3.050223      0.176447
  O      -6.083224      3.613554      0.935743
  C      -7.045107      1.570903      0.217244
  C      -7.702497      0.833843     -0.783614
  C      -7.825071     -0.547981     -0.660886
  C      -7.313154     -1.192298      0.467272
  F      -7.482377     -2.525242      0.537561
  C      -6.656748     -0.495630      1.496800
  C      -6.098370     -1.114298      2.757555
  O      -6.331170     -2.276890      3.097445
  N      -5.396372     -0.167764      3.484763
  C      -4.548610     -0.503423      4.405084
  C      -6.542419      0.884966      1.324905
  C      -5.895017     10.426757     -1.100469
  C      -5.982554      9.294772     -0.103417
  O      -6.719423      8.326297     -0.308083
  C      -5.179558      9.382736      1.157661
  C      -4.223547     10.386009      1.385265
  C      -3.481294     10.390759      2.566603
  C      -3.693178      9.383368      3.515594
  F      -2.959394      9.405685      4.652761
  C      -4.652477      8.388095      3.339972
  C      -4.943349      7.275023      4.303247
  O      -6.113787      7.004676      4.593618
  N      -3.827509      6.555942      4.718097
  C      -4.060191      5.262202      4.718107
  C      -5.394407      8.412465      2.154958
  C     -11.004043     -1.821514      1.263015
  C     -10.366221     -1.667499      2.632102
  O     -10.289942     -2.614615      3.400631
  C      -9.803464     -0.332596      2.999435
  C      -9.978192      0.799627      2.180455
  C      -9.403163      2.012234      2.526167
  C      -8.627809      2.095440      3.670447
  F      -8.055014      3.289815      3.945533
  C      -8.450159      0.998958      4.532061
  C      -7.696768      1.070882      5.828717
  O      -8.107902      0.472690      6.822837
  N      -6.553915      1.839828      5.844164
  C      -6.137927      2.332312      7.006800
  C      -9.064625     -0.202512      4.176004
  H      -8.778545      3.695851     -0.599455
  H      -7.465921      4.935670     -0.670398
  H      -7.517342      3.571370     -1.826061
  H      -8.114727      1.327785     -1.664438
  H      -8.316174     -1.146643     -1.431112
  H      -4.276635     -1.556474      4.606425
  H      -6.061967      1.426703      2.132222
  H      -6.154047     11.377740     -0.619214
  H      -4.879823     10.533279     -1.486792
  H      -6.580047     10.226371     -1.934221
  H      -4.041624     11.169790      0.635397
  H      -2.738546     11.160557      2.765825
  H      -5.032001      4.888429      4.337941
  H      -6.143531      7.644833      1.986786
  H     -11.370731     -2.852483      1.148567
  H     -10.266911     -1.608611      0.465354
  H     -11.826065     -1.112661      1.127149
  H     -10.560212      0.732827      1.264009
  H      -9.528618      2.902749      1.910540
  H      -6.716691      2.292806      7.944259
  H      -8.941671     -1.073487      4.819366
  N      -4.609312      2.673096      3.297772
  H      -5.076303      3.063289      2.460712
88
Coordinates from ORCA-job orca E -6669.434448101053
  N      -3.940398      0.419062      5.145428
  Mo     -4.281945      2.462267      4.966469
  N      -4.967687      2.891703      6.955238
  C      -4.110050      3.378294      8.015701
  C      -2.826841      2.526986      7.961481
  N      -2.365752      2.275919      6.554685
  C      -1.878815      0.878730      6.393881
  C      -3.057344     -0.069270      6.224021
  C      -1.352534      3.264232      6.093804
  C      -2.017464      4.601959      5.779204
  N      -3.271204      4.309902      5.094261
  H      -2.684611     -1.075676      5.979315
  H      -3.635338     -0.154056      7.161075
  H      -1.267226      0.845289      5.483071
  H      -1.244533      0.578778      7.246045
  H      -2.201169      5.199080      6.687790
  H      -1.357580      5.206988      5.134683
  H      -0.544596      3.375276      6.836877
  H      -0.917363      2.864788      5.168224
  H      -4.582926      3.281967      9.007589
  H      -3.888195      4.442667      7.851098
  H      -3.055633      1.548613      8.404800
  H      -2.012285      2.983067      8.546744
  C      -7.667478      3.890606     -0.857153
  C      -6.843591      3.069468      0.117711
  O      -6.051587      3.640130      0.879581
  C      -7.015407      1.580518      0.164200
  C      -7.673367      0.843160     -0.827843
  C      -7.801338     -0.545301     -0.697790
  C      -7.291855     -1.196176      0.425878
  F      -7.479938     -2.530590      0.507562
  C      -6.629123     -0.501517      1.447391
  C      -6.071944     -1.135711      2.699866
  O      -6.281828     -2.304637      3.012908
  N      -5.390781     -0.198593      3.447974
  C      -4.550007     -0.528088      4.379885
  C      -6.511996      0.887108      1.271035
  C      -5.861094     10.449297     -1.056414
  C      -5.966173      9.314713     -0.081968
  O      -6.701305      8.353477     -0.306356
  C      -5.167481      9.399774      1.172546
  C      -4.192769     10.401291      1.395158
  C      -3.449935     10.409235      2.564607
  C      -3.685176      9.410302      3.509395
  F      -2.949976      9.438342      4.634628
  C      -4.668402      8.416752      3.341240
  C      -4.977423      7.311419      4.303056
  O      -6.133451      7.022862      4.549709
  N      -3.869015      6.583974      4.723543
  C      -4.105203      5.293170      4.715653
  C      -5.400853      8.436436      2.161162
  C     -11.061039     -1.881822      1.359773
  C     -10.415117     -1.696677      2.705405
  O     -10.358728     -2.624209      3.500386
  C      -9.825069     -0.358435      3.029930
  C      -9.935251      0.749807      2.176767
  C      -9.324285      1.961750      2.508784
  C      -8.573406      2.035938      3.694092
  F      -7.965134      3.205680      3.963794
  C      -8.463693      0.974115      4.578128
  C      -7.761586      1.074172      5.888384
  O      -8.226235      0.491570      6.868252
  N      -6.591306      1.835575      5.917936
  C      -6.160426      2.330017      7.077705
  C      -9.111501     -0.220168      4.229710
  H      -8.737694      3.737226     -0.665165
  H      -7.420919      4.953454     -0.742759
  H      -7.483370      3.584550     -1.890883
  H      -8.084878      1.341542     -1.707856
  H      -8.296740     -1.142034     -1.458503
  H      -4.263828     -1.573134      4.586148
  H      -6.024257      1.430441      2.073619
  H      -6.119030     11.395053     -0.575663
  H      -4.832752     10.553998     -1.428142
  H      -6.536493     10.257747     -1.891542
  H      -4.000208     11.178887      0.651701
  H      -2.686422     11.178513      2.756016
  H      -5.081500      4.932586      4.332048
  H      -6.171984      7.670260      2.000195
  H     -11.440071     -2.888223      1.296533
  H     -10.323717     -1.715327      0.565830
  H     -11.894041     -1.157065      1.204914
  H     -10.491889      0.671369      1.240830
  H      -9.395014      2.844352      1.857603
  H      -6.729840      2.293536      8.018310
  H      -9.039957     -1.082681      4.906296
  N      -4.672362      2.686822      3.299414
  H      -5.141203      3.066341      2.436807
88
Coordinates from ORCA-job orca E -6669.440092200156
  N      -3.968400      0.407413      5.167259
  Mo     -4.326913      2.448413      4.998885
  N      -4.955455      2.879743      7.008425
  C      -4.086627      3.365233      8.052473
  C      -2.802161      2.520475      7.964606
  N      -2.376483      2.274367      6.547622
  C      -1.886981      0.880774      6.373940
  C      -3.064108     -0.070743      6.230717
  C      -1.383272      3.268010      6.064466
  C      -2.063227      4.599976      5.767804
  N      -3.322823      4.303857      5.098190
  H      -2.691626     -1.077041      5.984576
  H      -3.624045     -0.153609      7.178652
  H      -1.295100      0.850199      5.449374
  H      -1.233028      0.582173      7.211908
  H      -2.236405      5.192948      6.680264
  H      -1.416455      5.211500      5.117281
  H      -0.557453      3.385661      6.787685
  H      -0.966893      2.872811      5.129121
  H      -4.538187      3.260037      9.053013
  H      -3.875758      4.431876      7.888170
  H      -3.017568      1.540361      8.410857
  H      -1.974724      2.976792      8.531063
  C      -7.663983      3.817292     -0.809436
  C      -6.856923      2.996498      0.158781
  O      -6.078100      3.560904      0.932586
  C      -7.031740      1.516255      0.188910
  C      -7.693371      0.783112     -0.812544
  C      -7.822431     -0.599993     -0.687402
  C      -7.313681     -1.250085      0.442780
  F      -7.492924     -2.582277      0.516251
  C      -6.652464     -0.556440      1.473085
  C      -6.096720     -1.176170      2.739481
  O      -6.308122     -2.344507      3.064042
  N      -5.415349     -0.228132      3.476297
  C      -4.565648     -0.542535      4.406785
  C      -6.530818      0.824401      1.297436
  C      -5.874457     10.440103     -1.097707
  C      -5.989956      9.314662     -0.098012
  O      -6.735805      8.358528     -0.304223
  C      -5.179707      9.402321      1.155348
  C      -4.204392     10.394271      1.367843
  C      -3.448474     10.403033      2.535086
  C      -3.671508      9.414199      3.489588
  F      -2.933865      9.444527      4.618770
  C      -4.663163      8.432447      3.337795
  C      -4.986656      7.344656      4.329650
  O      -6.155809      7.102874      4.618953
  N      -3.892250      6.584505      4.735847
  C      -4.151573      5.296032      4.725366
  C      -5.405771      8.450328      2.156790
  C     -10.987619     -1.749246      1.249182
  C     -10.347779     -1.617898      2.612020
  O     -10.280645     -2.581454      3.368306
  C      -9.771392     -0.291813      2.994631
  C      -9.916619      0.853376      2.196234
  C      -9.322601      2.056670      2.566876
  C      -8.556408      2.101045      3.725665
  F      -7.962106      3.263268      4.037151
  C      -8.406720      0.988771      4.566207
  C      -7.690479      1.042383      5.867601
  O      -8.147423      0.423375      6.836241
  N      -6.538110      1.814318      5.940920
  C      -6.133161      2.295995      7.122021
  C      -9.037379     -0.204041      4.183880
  H      -8.736540      3.669465     -0.626909
  H      -7.410829      4.871855     -0.676658
  H      -7.469700      3.512865     -1.853759
  H      -8.103771      1.280527     -1.695318
  H      -8.317223     -1.195313     -1.456381
  H      -4.265996     -1.584527      4.612029
  H      -6.041311      1.363262      2.103387
  H      -6.122670     11.399537     -0.628076
  H      -4.842770     10.524724     -1.476774
  H      -6.554830     10.248844     -1.932604
  H      -4.028677     11.165252      0.624792
  H      -2.691476     11.165866      2.722160
  H      -5.127603      4.949494      4.350998
  H      -6.183701      7.693034      2.008026
  H     -11.358539     -2.771403      1.125576
  H     -10.249280     -1.532273      0.467082
  H     -11.817896     -1.035405      1.122217
  H     -10.491142      0.816704      1.267097
  H      -9.422280      2.962207      1.960489
  H      -6.715386      2.232007      8.052979
  H      -8.937644     -1.090682      4.814426
  N      -4.764319      2.682915      3.344979
  H      -5.259554      3.067772      2.502250
88
Coordinates from ORCA-job orca E -6669.440795263387
  N      -4.036249      0.383678      5.207902
  Mo     -4.391602      2.433315      5.039871
  N      -4.932600      2.868769      7.077572
  C      -4.050872      3.342901      8.099880
  C      -2.775437      2.501661      7.961178
  N      -2.403183      2.259849      6.531193
  C      -1.923929      0.866482      6.345891
  C      -3.107306     -0.079186      6.247364
  C      -1.431296      3.254130      6.016974
  C      -2.117461      4.583159      5.744694
  N      -3.389482      4.298314      5.100089
  H      -2.744981     -1.090744      6.003455
  H      -3.639232     -0.148191      7.214071
  H      -1.359454      0.829799      5.403438
  H      -1.245742      0.571152      7.166555
  H      -2.264983      5.175233      6.663676
  H      -1.484375      5.195165      5.081207
  H      -0.583198      3.376533      6.714857
  H      -1.041865      2.857975      5.067892
  H      -4.472879      3.227565      9.111434
  H      -3.847069      4.411386      7.938809
  H      -2.976324      1.520114      8.407927
  H      -1.925694      2.953012      8.499802
  C      -7.672712      3.758233     -0.840442
  C      -6.874751      2.955103      0.168257
  O      -6.147114      3.541842      0.979432
  C      -7.014863      1.474790      0.188499
  C      -7.642509      0.742980     -0.832023
  C      -7.769606     -0.634529     -0.715990
  C      -7.295379     -1.283067      0.425018
  F      -7.481993     -2.609373      0.488021
  C      -6.663564     -0.592925      1.473196
  C      -6.143940     -1.206795      2.757288
  O      -6.350950     -2.380104      3.071817
  N      -5.481977     -0.253199      3.507167
  C      -4.635128     -0.562753      4.448455
  C      -6.537839      0.782267      1.303657
  C      -5.917989     10.400839     -1.113527
  C      -6.022848      9.292454     -0.075366
  O      -6.765393      8.325488     -0.250433
  C      -5.203464      9.401274      1.177164
  C      -4.227396     10.384522      1.370482
  C      -3.457709     10.398225      2.536867
  C      -3.665064      9.421505      3.507105
  F      -2.912401      9.453463      4.632847
  C      -4.656302      8.454173      3.372556
  C      -4.977348      7.379733      4.370859
  O      -6.157728      7.198057      4.715087
  N      -3.903770      6.587499      4.756259
  C      -4.199543      5.307998      4.737892
  C      -5.418524      8.466978      2.198865
  C     -10.950810     -1.666787      1.249532
  C     -10.296313     -1.543315      2.604894
  O     -10.217261     -2.505014      3.363700
  C      -9.715045     -0.217604      2.976182
  C      -9.870220      0.922689      2.177186
  C      -9.271472      2.125633      2.533764
  C      -8.488062      2.173471      3.680253
  F      -7.899312      3.368241      3.981017
  C      -8.323626      1.056234      4.526000
  C      -7.591132      1.083416      5.847926
  O      -8.028365      0.470029      6.828283
  N      -6.447244      1.839255      5.941762
  C      -6.086866      2.278412      7.161626
  C      -8.964011     -0.126506      4.153092
  H      -8.750071      3.559954     -0.711395
  H      -7.466835      4.833480     -0.704432
  H      -7.418778      3.471853     -1.866193
  H      -8.032009      1.239545     -1.718890
  H      -8.241994     -1.227911     -1.498621
  H      -4.328870     -1.606358      4.642496
  H      -6.069991      1.314507      2.122421
  H      -6.168799     11.376998     -0.659406
  H      -4.894476     10.480259     -1.504645
  H      -6.601162     10.190264     -1.946323
  H      -4.052521     11.146163      0.608822
  H      -2.700463     11.152749      2.709420
  H      -5.184344      4.984692      4.366039
  H      -6.189485      7.717659      2.061590
  H     -11.321760     -2.691835      1.127670
  H     -10.213327     -1.446740      0.460011
  H     -11.780413     -0.952225      1.124871
  H     -10.454713      0.877736      1.261732
  H      -9.377673      3.015937      1.934389
  H      -6.694006      2.173207      8.072709
  H      -8.855951     -1.003447      4.779958
  N      -4.856065      2.660071      3.395231
  H      -5.344464      3.022052      2.566030
88
Coordinates from ORCA-job orca E -6669.442554576141
  N      -4.097274      0.369078      5.241219
  Mo     -4.475392      2.427576      5.092712
  N      -4.909885      2.868828      7.163538
  C      -4.001776      3.333103      8.160917
  C      -2.730821      2.495953      7.954909
  N      -2.423188      2.264094      6.507176
  C      -1.947854      0.872583      6.300832
  C      -3.131472     -0.078767      6.252699
  C      -1.483621      3.267545      5.957225
  C      -2.192078      4.591977      5.720397
  N      -3.483794      4.306646      5.113420
  H      -2.770821     -1.089437      6.001011
  H      -3.628239     -0.145804      7.238265
  H      -1.422609      0.836539      5.336225
  H      -1.235934      0.579944      7.093418
  H      -2.309840      5.175507      6.648933
  H      -1.586945      5.214557      5.041071
  H      -0.609005      3.391896      6.618773
  H      -1.131334      2.878581      4.991220
  H      -4.383525      3.203284      9.186074
  H      -3.809442      4.404190      8.005475
  H      -2.908474      1.510066      8.401062
  H      -1.857353      2.943745      8.456675
  C      -7.662610      3.680424     -0.840779
  C      -6.896068      2.886427      0.169259
  O      -6.194826      3.483327      0.989523
  C      -7.039017      1.403036      0.187457
  C      -7.668975      0.659014     -0.831713
  C      -7.795028     -0.723379     -0.703859
  C      -7.319354     -1.362642      0.447249
  F      -7.503806     -2.694235      0.523252
  C      -6.686632     -0.658615      1.492604
  C      -6.163283     -1.258172      2.788209
  O      -6.365664     -2.433504      3.103738
  N      -5.527517     -0.294169      3.539661
  C      -4.681665     -0.586981      4.487593
  C      -6.560276      0.717911      1.308054
  C      -5.947106     10.341405     -1.108755
  C      -6.058047      9.253757     -0.051157
  O      -6.817776      8.295905     -0.200156
  C      -5.225396      9.373448      1.190725
  C      -4.223349     10.338182      1.347313
  C      -3.440632     10.360311      2.504272
  C      -3.662010      9.411645      3.502045
  F      -2.896033      9.448498      4.618798
  C      -4.679169      8.467620      3.405817
  C      -5.012556      7.427071      4.439076
  O      -6.186676      7.293947      4.823343
  N      -3.957767      6.602164      4.797728
  C      -4.286415      5.331303      4.771863
  C      -5.453495      8.469612      2.239805
  C     -10.855839     -1.521586      1.142624
  C     -10.211103     -1.430245      2.504855
  O     -10.134536     -2.417914      3.230470
  C      -9.628518     -0.119561      2.927515
  C      -9.791958      1.057180      2.168234
  C      -9.192302      2.241372      2.568787
  C      -8.404100      2.248056      3.710616
  F      -7.814774      3.416693      4.058884
  C      -8.233071      1.103241      4.510858
  C      -7.516498      1.103208      5.820821
  O      -7.981238      0.466104      6.769946
  N      -6.372091      1.875797      5.971084
  C      -6.048692      2.263296      7.231484
  C      -8.873179     -0.067615      4.100993
  H      -8.748258      3.501165     -0.708302
  H      -7.434339      4.748545     -0.689856
  H      -7.410209      3.374268     -1.885799
  H      -8.058472      1.148084     -1.725084
  H      -8.267074     -1.328462     -1.484254
  H      -4.352750     -1.623719      4.679485
  H      -6.084484      1.255481      2.121230
  H      -6.179788     11.326076     -0.669028
  H      -4.924821     10.400444     -1.509069
  H      -6.639363     10.128901     -1.932213
  H      -4.039238     11.077776      0.565126
  H      -2.662437     11.100154      2.648191
  H      -5.283371      5.030345      4.411823
  H      -6.245974      7.736830      2.131562
  H     -11.221469     -2.545415      0.977646
  H     -10.110523     -1.267203      0.369991
  H     -11.688750     -0.813464      1.037830
  H     -10.380331      1.049182      1.252230
  H      -9.304096      3.158230      2.000476
  H      -6.672836      2.107695      8.124123
  H      -8.759824     -0.972298      4.696679
  N      -5.004764      2.660287      3.464781
  H      -5.518040      3.017593      2.634488
88
Coordinates from ORCA-job orca E -6669.443850181075
  N      -4.046737      0.372395      5.211562
  Mo     -4.439422      2.430340      5.071945
  N      -4.914909      2.865366      7.140086
  C      -4.019622      3.317993      8.155150
  C      -2.743682      2.485586      7.960612
  N      -2.416586      2.270009      6.516146
  C      -1.924923      0.885231      6.301575
  C      -3.097340     -0.077644      6.232440
  C      -1.482757      3.291396      5.993780
  C      -2.206443      4.611514      5.766672
  N      -3.479000      4.321240      5.128967
  H      -2.724678     -1.083152      5.982026
  H      -3.606244     -0.154978      7.209100
  H      -1.390186      0.864316      5.342584
  H      -1.219262      0.590802      7.097918
  H      -2.348975      5.176389      6.701069
  H      -1.597739      5.253747      5.112561
  H      -0.620479      3.414500      6.668981
  H      -1.111924      2.921217      5.030160
  H      -4.416169      3.178342      9.172800
  H      -3.825903      4.391098      8.015030
  H      -2.921205      1.495685      8.397925
  H      -1.879234      2.932440      8.475772
  C      -7.615835      3.727362     -0.908269
  C      -6.840697      2.918255      0.101942
  O      -6.137622      3.497718      0.931387
  C      -6.963976      1.439821      0.116092
  C      -7.615105      0.694343     -0.885883
  C      -7.747601     -0.687841     -0.745212
  C      -7.256048     -1.323529      0.401477
  F      -7.470578     -2.648595      0.500738
  C      -6.592568     -0.619764      1.426150
  C      -6.049084     -1.223801      2.714606
  O      -6.237872     -2.407005      3.010362
  N      -5.434808     -0.263224      3.485878
  C      -4.599530     -0.567873      4.438897
  C      -6.461598      0.757154      1.228111
  C      -5.920110     10.392553     -1.056380
  C      -6.035507      9.284443     -0.042629
  O      -6.790864      8.337523     -0.226058
  C      -5.207554      9.382929      1.194077
  C      -4.194110     10.348660      1.360107
  C      -3.414574     10.360461      2.511177
  C      -3.654437      9.402740      3.496391
  F      -2.886317      9.427216      4.606878
  C      -4.681660      8.455443      3.391215
  C      -5.019073      7.404972      4.414049
  O      -6.179819      7.242844      4.767965
  N      -3.963939      6.606567      4.799120
  C      -4.274526      5.335004      4.769455
  C      -5.446300      8.465427      2.223959
  C     -11.017021     -1.642592      1.296522
  C     -10.371047     -1.501922      2.668408
  O     -10.330733     -2.448570      3.441040
  C      -9.744060     -0.184135      3.025118
  C      -9.875294      0.954610      2.197150
  C      -9.245184      2.142603      2.528703
  C      -8.461517      2.197391      3.665226
  F      -7.844223      3.345006      3.949829
  C      -8.315448      1.091117      4.530468
  C      -7.600206      1.143752      5.830038
  O      -8.082644      0.560232      6.803060
  N      -6.425768      1.886792      5.939768
  C      -6.066030      2.268041      7.195109
  C      -8.986245     -0.084926      4.194345
  H      -8.696413      3.540383     -0.793080
  H      -7.422001      4.785249     -0.748124
  H      -7.340191      3.450849     -1.935246
  H      -8.026067      1.181267     -1.772074
  H      -8.244908     -1.294038     -1.507211
  H      -4.269713     -1.604069      4.623057
  H      -5.968939      1.298390      2.025783
  H      -6.156000     11.360099     -0.596770
  H      -4.890534     10.462879     -1.443073
  H      -6.608330     10.198366     -1.882191
  H      -4.003054     11.094795      0.591628
  H      -2.621662     11.100582      2.659020
  H      -5.258951      5.028379      4.384056
  H      -6.250991      7.731259      2.109161
  H     -11.426460     -2.664654      1.170756
  H     -10.264861     -1.455352      0.503235
  H     -11.806552     -0.910627      1.162144
  H     -10.465804      0.916255      1.280309
  H      -9.336785      3.042704      1.900450
  H      -6.688914      2.116092      8.086858
  H      -8.897811     -0.959524      4.845350
  N      -4.934511      2.675740      3.437250
  H      -5.420921      3.027459      2.576902
88
Coordinates from ORCA-job orca E -6669.445212962721
  N      -4.041034      0.358786      5.225868
  Mo     -4.454562      2.417417      5.097573
  N      -4.914368      2.856231      7.162335
  C      -4.003680      3.311168      8.170158
  C      -2.720300      2.488802      7.954067
  N      -2.412543      2.273731      6.500418
  C      -1.907144      0.893897      6.278539
  C      -3.074837     -0.078120      6.238408
  C      -1.490513      3.302346      5.958822
  C      -2.227045      4.616368      5.751458
  N      -3.506279      4.315857      5.129948
  H      -2.701719     -1.085718      5.996910
  H      -3.567050     -0.143154      7.225868
  H      -1.390190      0.876055      5.308501
  H      -1.182272      0.609476      7.063397
  H      -2.358417      5.176079      6.691536
  H      -1.632010      5.267216      5.090542
  H      -0.613336      3.431655      6.620036
  H      -1.134685      2.935470      4.985852
  H      -4.384714      3.162672      9.194473
  H      -3.818782      4.386458      8.034239
  H      -2.882124      1.497860      8.397746
  H      -1.849693      2.944145      8.455718
  C      -7.620904      3.686320     -0.864989
  C      -6.825298      2.885844      0.139519
  O      -6.095056      3.469830      0.948160
  C      -6.970307      1.406138      0.166023
  C      -7.636110      0.671150     -0.824527
  C      -7.776839     -0.707396     -0.684592
  C      -7.285453     -1.348826      0.451615
  F      -7.501523     -2.672286      0.546012
  C      -6.615876     -0.654577      1.467822
  C      -6.084617     -1.257251      2.750053
  O      -6.269823     -2.436924      3.059580
  N      -5.460404     -0.288967      3.508048
  C      -4.601728     -0.586009      4.450907
  C      -6.469814      0.717791      1.270293
  C      -5.892471     10.423842     -1.082026
  C      -6.041442      9.319217     -0.056158
  O      -6.816084      8.384512     -0.239913
  C      -5.214022      9.400671      1.182611
  C      -4.181296     10.346382      1.348070
  C      -3.400059     10.343620      2.495862
  C      -3.654691      9.391597      3.477086
  F      -2.881267      9.402567      4.582796
  C      -4.701958      8.462869      3.374630
  C      -5.056361      7.420246      4.405168
  O      -6.226178      7.287485      4.767852
  N      -4.002263      6.593756      4.778605
  C      -4.310099      5.318829      4.765310
  C      -5.469065      8.488357      2.210471
  C     -10.954030     -1.600076      1.208624
  C     -10.291627     -1.484048      2.553111
  O     -10.198455     -2.459619      3.290830
  C      -9.721296     -0.150912      2.945483
  C      -9.886221      1.004006      2.179365
  C      -9.292150      2.207510      2.568576
  C      -8.499596      2.226285      3.721754
  F      -7.929302      3.411342      4.063252
  C      -8.325412      1.101608      4.525784
  C      -7.615869      1.112562      5.842853
  O      -8.085854      0.476970      6.792594
  N      -6.451203      1.861234      5.982308
  C      -6.070988      2.244688      7.227061
  C      -8.963576     -0.081246      4.122884
  H      -8.689593      3.501069     -0.732044
  H      -7.410194      4.752612     -0.728791
  H      -7.373950      3.392878     -1.884933
  H      -8.044376      1.164214     -1.706518
  H      -8.278001     -1.305839     -1.440594
  H      -4.262756     -1.622105      4.627734
  H      -5.966329      1.253170      2.063535
  H      -6.112375     11.404962     -0.634559
  H      -4.851964     10.463447     -1.466511
  H      -6.582128     10.242641     -1.909864
  H      -3.980136     11.087028      0.582553
  H      -2.593802     11.067925      2.643637
  H      -5.295264      4.995999      4.392898
  H      -6.290185      7.770457      2.096748
  H     -11.306153     -2.616218      1.080732
  H     -10.231369     -1.362086      0.428874
  H     -11.810104     -0.894521      1.106074
  H     -10.477522      0.983128      1.259335
  H      -9.410420      3.124751      1.986731
  H      -6.681275      2.084193      8.124668
  H      -8.849936     -0.979401      4.730614
  N      -4.949235      2.661942      3.467946
  H      -5.429975      3.019483      2.613996
88
Coordinates from ORCA-job orca E -6669.447090540336
  N      -4.084811      0.356289      5.230974
  Mo     -4.496081      2.422257      5.121868
  N      -4.909881      2.848807      7.203575
  C      -3.985392      3.280206      8.204225
  C      -2.707353      2.464598      7.946461
  N      -2.430758      2.267385      6.483987
  C      -1.930566      0.888860      6.244366
  C      -3.102037     -0.079267      6.227708
  C      -1.519302      3.300313      5.934218
  C      -2.258050      4.615441      5.757006
  N      -3.547459      4.325033      5.148168
  H      -2.735982     -1.089344      5.981568
  H      -3.575658     -0.138896      7.224638
  H      -1.435710      0.873993      5.262686
  H      -1.188740      0.601895      7.012115
  H      -2.373906      5.161303      6.708213
  H      -1.673469      5.276871      5.096270
  H      -0.628932      3.420562      6.578375
  H      -1.184424      2.942539      4.948978
  H      -4.348424      3.110779      9.231118
  H      -3.802734      4.357602      8.086537
  H      -2.858329      1.467938      8.378696
  H      -1.825356      2.913120      8.434316
  C      -7.599841      3.643533     -0.944693
  C      -6.835309      2.865074      0.098179
  O      -6.159804      3.477167      0.934534
  C      -6.963410      1.375777      0.127474
  C      -7.617142      0.628112     -0.867426
  C      -7.748674     -0.754168     -0.723076
  C      -7.259858     -1.388695      0.422923
  F      -7.469944     -2.716944      0.523971
  C      -6.599426     -0.682539      1.441506
  C      -6.073219     -1.277150      2.731612
  O      -6.220418     -2.460587      3.034634
  N      -5.484124     -0.298716      3.499602
  C      -4.638833     -0.590887      4.451071
  C      -6.460744      0.693339      1.238589
  C      -5.915656     10.415721     -1.085506
  C      -6.037025      9.322336     -0.042707
  O      -6.806218      8.372706     -0.207127
  C      -5.211921      9.421315      1.201465
  C      -4.182587     10.363771      1.362959
  C      -3.407396     10.363727      2.519756
  C      -3.663917      9.416470      3.511324
  F      -2.893033      9.426017      4.621813
  C      -4.705943      8.494532      3.409548
  C      -5.060973      7.452732      4.432385
  O      -6.233991      7.342846      4.804886
  N      -4.017595      6.614975      4.805908
  C      -4.342650      5.340406      4.787898
  C      -5.471497      8.518044      2.243364
  C     -10.978224     -1.550218      1.258244
  C     -10.321653     -1.435587      2.616245
  O     -10.263118     -2.397943      3.376907
  C      -9.706409     -0.129203      2.986298
  C      -9.835323      1.013429      2.181509
  C      -9.207585      2.202248      2.538445
  C      -8.424143      2.238494      3.689372
  F      -7.824554      3.421717      3.994503
  C      -8.283449      1.124489      4.532381
  C      -7.586927      1.146307      5.862674
  O      -8.079236      0.550753      6.825156
  N      -6.417533      1.880419      6.008385
  C      -6.059557      2.248906      7.264407
  C      -8.953551     -0.047655      4.162675
  H      -8.679193      3.440257     -0.837151
  H      -7.393113      4.724298     -0.810389
  H      -7.325497      3.338046     -1.969225
  H      -8.023390      1.114981     -1.754616
  H      -8.241210     -1.361404     -1.481205
  H      -4.291433     -1.625618      4.623561
  H      -5.959333      1.235748      2.031641
  H      -6.144571     11.397544     -0.641146
  H      -4.895392     10.472337     -1.479711
  H      -6.608047     10.211659     -1.910442
  H      -3.968907     11.100059      0.581531
  H      -2.603515     11.083300      2.664353
  H      -5.335826      5.027474      4.411784
  H      -6.283076      7.802807      2.129177
  H     -11.369439     -2.567527      1.136410
  H     -10.238642     -1.347572      0.464765
  H     -11.790970     -0.817796      1.137289
  H     -10.419862      0.978416      1.264693
  H      -9.295099      3.099252      1.932730
  H      -6.675286      2.067915      8.157297
  H      -8.868259     -0.929270      4.796784
  N      -4.993543      2.662518      3.492439
  H      -5.461561      3.002738      2.634739
88
Coordinates from ORCA-job orca E -6669.447875828142
  N      -4.072873      0.348620      5.246404
  Mo     -4.496821      2.415198      5.144541
  N      -4.902536      2.844996      7.230841
  C      -3.975505      3.262810      8.233412
  C      -2.695080      2.455581      7.957555
  N      -2.427130      2.267928      6.492479
  C      -1.920071      0.891804      6.248014
  C      -3.087388     -0.081763      6.241858
  C      -1.528588      3.310196      5.942926
  C      -2.276928      4.623250      5.774685
  N      -3.563541      4.329981      5.161347
  H      -2.720995     -1.092587      6.002661
  H      -3.555802     -0.134309      7.239663
  H      -1.435122      0.880330      5.262469
  H      -1.170591      0.608798      7.007728
  H      -2.396679      5.160116      6.730254
  H      -1.697648      5.294959      5.121256
  H      -0.638043      3.432155      6.582069
  H      -1.197091      2.958818      4.957286
  H      -4.331666      3.075454      9.258825
  H      -3.798134      4.342850      8.132732
  H      -2.836521      1.455384      8.385385
  H      -1.812899      2.904445      8.440333
  C      -7.692624      3.601168     -0.923434
  C      -6.915785      2.822431      0.107971
  O      -6.238067      3.420705      0.949797
  C      -7.003211      1.344076      0.128893
  C      -7.654525      0.589461     -0.861644
  C      -7.766508     -0.786039     -0.713491
  C      -7.263436     -1.408292      0.433879
  F      -7.454387     -2.733972      0.536489
  C      -6.603689     -0.696154      1.448293
  C      -6.069381     -1.281818      2.743518
  O      -6.230568     -2.468896      3.047803
  N      -5.468409     -0.298769      3.511099
  C      -4.619873     -0.596235      4.460095
  C      -6.480795      0.674763      1.238788
  C      -5.895871     10.445015     -1.089574
  C      -6.029930      9.343516     -0.058986
  O      -6.803588      8.409086     -0.237409
  C      -5.201716      9.426732      1.184638
  C      -4.168415     10.361969      1.352762
  C      -3.388892     10.354478      2.510851
  C      -3.647710      9.406131      3.498811
  F      -2.876909      9.409783      4.614750
  C      -4.695390      8.490442      3.392227
  C      -5.057505      7.453078      4.422092
  O      -6.223873      7.362331      4.810316
  N      -4.022531      6.616085      4.797142
  C      -4.351024      5.345236      4.788487
  C      -5.462859      8.520753      2.221437
  C     -10.927136     -1.537615      1.205330
  C     -10.273286     -1.424497      2.565410
  O     -10.204652     -2.390626      3.311563
  C      -9.676709     -0.098982      2.954971
  C      -9.825076      1.062702      2.165531
  C      -9.210930      2.247692      2.544328
  C      -8.424504      2.274936      3.695593
  F      -7.838027      3.436769      4.031727
  C      -8.263827      1.148415      4.520516
  C      -7.577885      1.162777      5.848392
  O      -8.078399      0.551960      6.790527
  N      -6.406636      1.905012      6.011227
  C      -6.051366      2.248533      7.280402
  C      -8.922047     -0.020487      4.131669
  H      -8.768107      3.375235     -0.830043
  H      -7.532925      4.667561     -0.770287
  H      -7.392719      3.327163     -1.939287
  H      -8.077689      1.066268     -1.747532
  H      -8.259203     -1.400179     -1.468617
  H      -4.273245     -1.633712      4.625464
  H      -5.983772      1.226960      2.029044
  H      -6.117446     11.427472     -0.638101
  H      -4.867662     10.494032     -1.479797
  H      -6.590861     10.253083     -1.917068
  H      -3.957139     11.099734      0.577382
  H      -2.582127     11.069395      2.660617
  H      -5.339422      5.035367      4.411717
  H      -6.281334      7.811623      2.103905
  H     -11.303507     -2.558544      1.067254
  H     -10.189156     -1.310820      0.417920
  H     -11.752661     -0.820469      1.094150
  H     -10.412496      1.034358      1.249116
  H      -9.314362      3.158591      1.952422
  H      -6.672058      2.049031      8.166305
  H      -8.823437     -0.910905      4.751347
  N      -5.012072      2.650345      3.515585
  H      -5.481925      2.983262      2.654434
88
Coordinates from ORCA-job orca E -6669.448823261025
  N      -4.044238      0.347208      5.240289
  Mo     -4.489498      2.409091      5.146975
  N      -4.907705      2.831429      7.230228
  C      -3.980943      3.244681      8.235405
  C      -2.691631      2.456061      7.949389
  N      -2.427045      2.279869      6.481664
  C      -1.899210      0.913471      6.225874
  C      -3.051804     -0.075847      6.226390
  C      -1.543543      3.339595      5.938002
  C      -2.310271      4.643289      5.787246
  N      -3.588453      4.337156      5.167464
  H      -2.676238     -1.083487      5.987995
  H      -3.513927     -0.132346      7.227193
  H      -1.423995      0.915811      5.235889
  H      -1.138354      0.637329      6.977163
  H      -2.440470      5.164194      6.749881
  H      -1.739218      5.334135      5.146474
  H      -0.651634      3.468413      6.574637
  H      -1.211057      3.002095      4.947617
  H      -4.332756      3.039188      9.259490
  H      -3.815278      4.328370      8.149998
  H      -2.816228      1.453001      8.375694
  H      -1.814067      2.915441      8.430273
  C      -7.687655      3.573319     -0.932995
  C      -6.889169      2.811779      0.089812
  O      -6.199204      3.430623      0.902573
  C      -7.005500      1.326607      0.137150
  C      -7.687451      0.561146     -0.826887
  C      -7.800385     -0.818960     -0.661396
  C      -7.266480     -1.434731      0.475762
  F      -7.443436     -2.766701      0.590842
  C      -6.582574     -0.709729      1.465943
  C      -6.005357     -1.287329      2.744286
  O      -6.126381     -2.474915      3.044601
  N      -5.432877     -0.300563      3.510496
  C      -4.573340     -0.591999      4.448100
  C      -6.464369      0.664862      1.242562
  C      -5.850484     10.485184     -1.071177
  C      -6.015680      9.375346     -0.063323
  O      -6.808132      8.458263     -0.258870
  C      -5.194138      9.431561      1.179683
  C      -4.137932     10.347374      1.350615
  C      -3.365781     10.323279      2.505365
  C      -3.652761      9.378568      3.485600
  F      -2.885184      9.365646      4.597006
  C      -4.717764      8.478292      3.372989
  C      -5.090972      7.444059      4.399216
  O      -6.253377      7.357757      4.784505
  N      -4.059716      6.610598      4.780654
  C      -4.377873      5.340276      4.779913
  C      -5.479439      8.526002      2.205580
  C     -10.925423     -1.511877      1.175229
  C     -10.274630     -1.412479      2.537862
  O     -10.196821     -2.393587      3.270447
  C      -9.693167     -0.092072      2.951122
  C      -9.858048      1.077119      2.190588
  C      -9.261907      2.269073      2.587059
  C      -8.474680      2.285521      3.732324
  F      -7.910225      3.456006      4.092195
  C      -8.296113      1.144044      4.531531
  C      -7.615476      1.143465      5.856287
  O      -8.122090      0.516827      6.792572
  N      -6.444646      1.885811      6.021305
  C      -6.063412      2.229434      7.279192
  C      -8.937505     -0.027995      4.123812
  H      -8.761755      3.367206     -0.795878
  H      -7.496472      4.641222     -0.803117
  H      -7.432155      3.267779     -1.961585
  H      -8.124519      1.031769     -1.708820
  H      -8.309564     -1.441786     -1.397644
  H      -4.206758     -1.622191      4.600947
  H      -5.943300      1.224468      2.011986
  H      -6.060091     11.460552     -0.617232
  H      -4.808931     10.516737     -1.446584
  H      -6.541043     10.319090     -1.900800
  H      -3.906359     11.080709      0.579354
  H      -2.539394     11.023049      2.656989
  H      -5.354920      5.020229      4.401444
  H      -6.313524      7.830419      2.082910
  H     -11.287821     -2.531289      1.023232
  H     -10.193951     -1.265663      0.390918
  H     -11.758805     -0.802681      1.075685
  H     -10.452769      1.067913      1.273210
  H      -9.384418      3.194036      2.014169
  H      -6.674395      2.023923      8.165766
  H      -8.822346     -0.934162      4.727798
  N      -5.008075      2.645677      3.518283
  H      -5.474446      2.983455      2.651049
88
Coordinates from ORCA-job orca E -6669.450416329071
  N      -4.073698      0.350335      5.228573
  Mo     -4.530732      2.411737      5.168627
  N      -4.910582      2.810247      7.265674
  C      -3.962509      3.206519      8.259456
  C      -2.676746      2.428908      7.932678
  N      -2.442552      2.277049      6.456515
  C      -1.909134      0.919516      6.169356
  C      -3.053844     -0.078390      6.184365
  C      -1.575267      3.350350      5.911043
  C      -2.350722      4.652218      5.797949
  N      -3.639549      4.350104      5.194881
  H      -2.677120     -1.080238      5.923401
  H      -3.490917     -0.151160      7.195467
  H      -1.459342      0.939748      5.167672
  H      -1.127072      0.640471      6.897125
  H      -2.466544      5.154422      6.773640
  H      -1.794064      5.358774      5.159717
  H      -0.670000      3.473546      6.530635
  H      -1.263322      3.030165      4.906962
  H      -4.292735      2.981215      9.287288
  H      -3.799662      4.292565      8.190268
  H      -2.785828      1.418544      8.346136
  H      -1.790991      2.887450      8.401021
  C      -7.739638      3.569598     -0.948454
  C      -6.991689      2.824515      0.126958
  O      -6.406556      3.454282      1.013084
  C      -7.026741      1.335511      0.129944
  C      -7.609959      0.563887     -0.890746
  C      -7.662295     -0.821761     -0.765116
  C      -7.159512     -1.439261      0.383210
  F      -7.284978     -2.777444      0.459106
  C      -6.562823     -0.709692      1.424164
  C      -6.009740     -1.294012      2.707724
  O      -6.042050     -2.502077      2.954157
  N      -5.477900     -0.302278      3.503062
  C      -4.597867     -0.587322      4.423056
  C      -6.507770      0.673456      1.244340
  C      -5.805184     10.459630     -1.099371
  C      -6.010392      9.385370     -0.055645
  O      -6.831596      8.487698     -0.228435
  C      -5.181851      9.439302      1.185919
  C      -4.100017     10.325321      1.338774
  C      -3.326103     10.300048      2.494600
  C      -3.634707      9.380470      3.492514
  F      -2.865583      9.367316      4.604374
  C      -4.720366      8.504231      3.394597
  C      -5.109014      7.487000      4.433147
  O      -6.277814      7.415721      4.812825
  N      -4.090367      6.630316      4.807747
  C      -4.427016      5.362560      4.812169
  C      -5.486782      8.557249      2.228981
  C     -10.931289     -1.542645      1.253637
  C     -10.305295     -1.400607      2.621570
  O     -10.292355     -2.341072      3.409122
  C      -9.687919     -0.085310      2.988814
  C      -9.799556      1.061035      2.185215
  C      -9.196108      2.254823      2.568728
  C      -8.451199      2.291293      3.744379
  F      -7.897725      3.471943      4.100606
  C      -8.312561      1.169777      4.574595
  C      -7.660164      1.186950      5.915459
  O      -8.189230      0.592256      6.857513
  N      -6.472566      1.894357      6.077505
  C      -6.070649      2.220753      7.331308
  C      -8.964334     -0.001913      4.181159
  H      -8.808021      3.305021     -0.908331
  H      -7.617106      4.646323     -0.788011
  H      -7.382006      3.298770     -1.954188
  H      -8.024669      1.035261     -1.782432
  H      -8.101353     -1.448246     -1.542108
  H      -4.200086     -1.611408      4.544091
  H      -6.055600      1.237321      2.053096
  H      -5.976294     11.457995     -0.672067
  H      -4.769284     10.441647     -1.477639
  H      -6.502036     10.293781     -1.926607
  H      -3.849993     11.037707      0.553382
  H      -2.482828     10.978457      2.633591
  H      -5.410743      5.052987      4.434549
  H      -6.337628      7.882524      2.118498
  H     -11.337461     -2.552321      1.151013
  H     -10.172339     -1.372746      0.475942
  H     -11.731818     -0.802864      1.097201
  H     -10.367653      1.033653      1.254242
  H      -9.285937      3.162933      1.969835
  H      -6.669059      2.014259      8.226799
  H      -8.890876     -0.887203      4.815970
  N      -5.063339      2.656520      3.546679
  H      -5.534608      2.997771      2.685193
88
Coordinates from ORCA-job orca E -6669.450280362763
  N      -4.064331      0.344931      5.238766
  Mo     -4.561114      2.398878      5.205537
  N      -4.916412      2.757539      7.316149
  C      -3.963219      3.148205      8.307563
  C      -2.665844      2.410711      7.941801
  N      -2.452027      2.291235      6.458945
  C      -1.891671      0.951333      6.144226
  C      -3.013632     -0.071756      6.168285
  C      -1.613894      3.390123      5.917935
  C      -2.414160      4.678213      5.837682
  N      -3.708303      4.364681      5.244888
  H      -2.620489     -1.061753      5.885381
  H      -3.428158     -0.167086      7.187090
  H      -1.463298      0.994783      5.133632
  H      -1.088272      0.683546      6.852011
  H      -2.526336      5.159330      6.826217
  H      -1.878704      5.407867      5.205260
  H      -0.701191      3.519840      6.525253
  H      -1.313727      3.091750      4.901780
  H      -4.273253      2.889259      9.334079
  H      -3.824118      4.239565      8.263058
  H      -2.741881      1.389560      8.335083
  H      -1.783344      2.883800      8.404000
  C      -7.767568      3.503672     -0.899954
  C      -6.985616      2.745680      0.146499
  O      -6.333815      3.362934      0.998580
  C      -7.055946      1.260403      0.169190
  C      -7.702060      0.493244     -0.816467
  C      -7.774498     -0.887191     -0.678557
  C      -7.226730     -1.503970      0.448707
  F      -7.380908     -2.834275      0.542973
  C      -6.571747     -0.778133      1.457706
  C      -5.962603     -1.362410      2.713139
  O      -5.973539     -2.575332      2.958840
  N      -5.470880     -0.350289      3.520620
  C      -4.569083     -0.607978      4.424762
  C      -6.500504      0.599824      1.266062
  C      -5.824750     10.360541     -1.165723
  C      -6.050927      9.342231     -0.063318
  O      -6.909829      8.468631     -0.182560
  C      -5.201725      9.410127      1.170834
  C      -4.091284     10.258205      1.285682
  C      -3.304985     10.240352      2.440020
  C      -3.629150      9.361617      3.473207
  F      -2.849748      9.356645      4.582504
  C      -4.739363      8.519183      3.409762
  C      -5.141519      7.530841      4.470680
  O      -6.312722      7.498827      4.867134
  N      -4.138179      6.651889      4.846415
  C      -4.497494      5.386077      4.860865
  C      -5.520921      8.569639      2.250247
  C     -10.813200     -1.341830      1.071428
  C     -10.162922     -1.276349      2.435982
  O     -10.099875     -2.264916      3.157150
  C      -9.591092      0.026537      2.890196
  C      -9.764154      1.230490      2.176981
  C      -9.225554      2.415813      2.660066
  C      -8.485572      2.396106      3.840183
  F      -8.022257      3.577385      4.307750
  C      -8.274962      1.216888      4.571831
  C      -7.609138      1.153434      5.910405
  O      -8.108895      0.498577      6.821540
  N      -6.445454      1.878195      6.107659
  C      -6.059349      2.154209      7.377676
  C      -8.864422      0.048241      4.084776
  H      -8.842261      3.276303     -0.787845
  H      -7.600541      4.584787     -0.775107
  H      -7.479350      3.200480     -1.917757
  H      -8.149681      0.963765     -1.692355
  H      -8.264133     -1.509842     -1.429659
  H      -4.131036     -1.620063      4.525010
  H      -5.999652      1.160528      2.048025
  H      -5.944132     11.387977     -0.774911
  H      -4.812755     10.287690     -1.564347
  H      -6.542192     10.181683     -1.979241
  H      -3.824539     10.937023      0.471199
  H      -2.442749     10.890799      2.551160
  H      -5.489360      5.086687      4.475536
  H      -6.389606      7.922309      2.167429
  H     -11.188670     -2.363740      0.901566
  H     -10.076002     -1.083643      0.288584
  H     -11.639982     -0.624980      0.987247
  H     -10.331994      1.242507      1.252549
  H      -9.366340      3.358609      2.139918
  H      -6.653004      1.909461      8.269931
  H      -8.748008     -0.873992      4.646088
  N      -5.091315      2.635543      3.582748
  H      -5.561309      2.965304      2.721580
88
Coordinates from ORCA-job orca E -6669.449665262626
  N      -4.066295      0.322635      5.222979
  Mo     -4.584716      2.370626      5.192698
  N      -4.922977      2.732827      7.305474
  C      -3.961155      3.128404      8.286811
  C      -2.661785      2.405094      7.903158
  N      -2.467030      2.288220      6.416950
  C      -1.892585      0.954672      6.097187
  C      -3.000714     -0.084199      6.138930
  C      -1.650887      3.399976      5.867070
  C      -2.469077      4.678697      5.802369
  N      -3.764594      4.352766      5.219501
  H      -2.599601     -1.069437      5.852344
  H      -3.400345     -0.183811      7.162853
  H      -1.480999      1.002642      5.079993
  H      -1.074374      0.699846      6.792388
  H      -2.577673      5.150596      6.795395
  H      -1.949918      5.420280      5.171242
  H      -0.732225      3.539285      6.462269
  H      -1.361466      3.108549      4.846768
  H      -4.256154      2.863123      9.316028
  H      -3.832002      4.221057      8.244189
  H      -2.718915      1.383534      8.298949
  H      -1.779192      2.889616      8.351589
  C      -7.340997      3.595520     -1.019992
  C      -6.608842      2.787841      0.023738
  O      -5.897196      3.355322      0.861769
  C      -6.794400      1.316118      0.062964
  C      -7.485901      0.589312     -0.921808
  C      -7.659458     -0.779210     -0.772157
  C      -7.172568     -1.422173      0.368267
  F      -7.426697     -2.734520      0.473649
  C      -6.481789     -0.735413      1.379935
  C      -5.925094     -1.348053      2.645948
  O      -5.991163     -2.561498      2.885138
  N      -5.444978     -0.351975      3.482185
  C      -4.555179     -0.624052      4.394338
  C      -6.305352      0.629924      1.174496
  C      -5.831694     10.495510     -1.132970
  C      -6.083744      9.450893     -0.062673
  O      -6.961120      8.603505     -0.209050
  C      -5.239805      9.471704      1.175243
  C      -4.120163     10.304455      1.317655
  C      -3.339157     10.249587      2.473842
  C      -3.678308      9.348873      3.480915
  F      -2.906600      9.311635      4.595122
  C      -4.796632      8.516825      3.389269
  C      -5.208848      7.504546      4.425626
  O      -6.377883      7.468965      4.823097
  N      -4.203471      6.631796      4.801985
  C      -4.556120      5.366558      4.825077
  C      -5.572576      8.605429      2.227936
  C     -11.146867     -1.499030      1.404950
  C     -10.467311     -1.357346      2.747170
  O     -10.474083     -2.275022      3.558137
  C      -9.772954     -0.068703      3.066649
  C      -9.853247      1.076827      2.248848
  C      -9.211239      2.251832      2.620585
  C      -8.466301      2.277511      3.799263
  F      -7.900878      3.447745      4.161772
  C      -8.343898      1.155146      4.630362
  C      -7.682808      1.155979      5.970076
  O      -8.230774      0.612532      6.925449
  N      -6.483509      1.837030      6.124401
  C      -6.073228      2.140252      7.382907
  C      -9.028860     -0.000357      4.249034
  H      -8.427613      3.467856     -0.884198
  H      -7.083517      4.654478     -0.917003
  H      -7.097100      3.253383     -2.033150
  H      -7.886645      1.080953     -1.808928
  H      -8.184747     -1.371580     -1.523164
  H      -4.107423     -1.633417      4.477694
  H      -5.775532      1.161890      1.957356
  H      -5.930550     11.513844     -0.715467
  H      -4.814740     10.409841     -1.530748
  H      -6.550587     10.355316     -1.951508
  H      -3.844298     11.000404      0.524222
  H      -2.470264     10.889230      2.607207
  H      -5.545410      5.062349      4.445937
  H      -6.449871      7.969516      2.123826
  H     -11.613206     -2.491313      1.343120
  H     -10.406444     -1.386632      0.595891
  H     -11.912288     -0.722586      1.259703
  H     -10.428627      1.053628      1.326782
  H      -9.275631      3.152678      2.013177
  H      -6.658854      1.915831      8.284893
  H      -8.984906     -0.874850      4.892965
  N      -5.129951      2.592773      3.570711
  H      -5.606359      2.913110      2.707835
88
Coordinates from ORCA-job orca E -6669.450536426314
  N      -4.081724      0.348738      5.231124
  Mo     -4.568828      2.400218      5.187436
  N      -4.916701      2.768156      7.291832
  C      -3.956724      3.161198      8.275478
  C      -2.660245      2.426697      7.897214
  N      -2.465179      2.303018      6.410088
  C      -1.899433      0.964895      6.088453
  C      -3.013481     -0.067943      6.136661
  C      -1.641394      3.410927      5.862224
  C      -2.453874      4.693041      5.801325
  N      -3.745169      4.374461      5.214129
  H      -2.622038     -1.056284      5.849858
  H      -3.406170     -0.165010      7.163971
  H      -1.492353      1.011062      5.069249
  H      -1.078872      0.704691      6.780507
  H      -2.563351      5.160531      6.793805
  H      -1.930431      5.434156      5.176617
  H      -0.722085      3.544412      6.458533
  H      -1.352411      3.120722      4.843107
  H      -4.256235      2.898009      9.303507
  H      -3.822887      4.252402      8.232869
  H      -2.723222      1.408172      8.299774
  H      -1.775975      2.907577      8.343674
  C      -7.691710      3.610836     -0.974337
  C      -6.996323      2.871266      0.137687
  O      -6.453475      3.506072      1.044593
  C      -7.026619      1.379198      0.136328
  C      -7.586727      0.607523     -0.898010
  C      -7.633249     -0.781355     -0.779900
  C      -7.141463     -1.403837      0.370972
  F      -7.256127     -2.744707      0.437352
  C      -6.559842     -0.675822      1.421779
  C      -5.982438     -1.276940      2.686849
  O      -5.938619     -2.491671      2.878501
  N      -5.514897     -0.297603      3.532158
  C      -4.591814     -0.579344      4.411294
  C      -6.517099      0.712894      1.253699
  C      -5.615873     10.523240     -1.134733
  C      -5.905754      9.457754     -0.107217
  O      -6.760825      8.600494     -0.310249
  C      -5.123572      9.481441      1.160179
  C      -4.024360     10.341954      1.353367
  C      -3.292465     10.294757      2.530933
  C      -3.658862      9.377374      3.507867
  F      -2.933434      9.349454      4.644774
  C      -4.759798      8.519906      3.366437
  C      -5.187316      7.492139      4.379380
  O      -6.360337      7.420714      4.733232
  N      -4.179686      6.640456      4.777890
  C      -4.522157      5.379280      4.805142
  C      -5.486364      8.599901      2.181382
  C     -11.022104     -1.634836      1.366658
  C     -10.359512     -1.483044      2.714374
  O     -10.346356     -2.414453      3.516207
  C      -9.703065     -0.175799      3.045642
  C      -9.804103      0.958090      2.231090
  C      -9.197785      2.157788      2.600492
  C      -8.465868      2.208222      3.782171
  F      -7.922858      3.394890      4.138850
  C      -8.331044      1.095332      4.619814
  C      -7.692233      1.130055      5.963796
  O      -8.249579      0.574291      6.917947
  N      -6.498447      1.832523      6.115986
  C      -6.081277      2.176394      7.364152
  C      -8.977782     -0.083232      4.235803
  H      -8.762982      3.366644     -0.969162
  H      -7.559683      4.685514     -0.825143
  H      -7.301024      3.317519     -1.961851
  H      -7.992313      1.080824     -1.792953
  H      -8.059426     -1.405830     -1.563935
  H      -4.144701     -1.586341      4.475892
  H      -6.077855      1.276756      2.068399
  H      -5.753373     11.524448     -0.713987
  H      -4.561036     10.453730     -1.478757
  H      -6.290572     10.391673     -1.981020
  H      -3.730173     11.048673      0.581746
  H      -2.436439     10.956090      2.704164
  H      -5.501099      5.071980      4.427886
  H      -6.350674      7.942809      2.036277
  H     -11.452973     -2.630512      1.294525
  H     -10.284692     -1.496540      0.568961
  H     -11.812216     -0.878463      1.220714
  H     -10.370072      0.924347      1.293353
  H      -9.282741      3.061012      1.987905
  H      -6.665197      1.961009      8.264555
  H      -8.916528     -0.961449      4.888350
  N      -5.106938      2.628130      3.563629
  H      -5.576218      2.956048      2.692125
88
Coordinates from ORCA-job orca E -6669.453239738666
  N      -4.072021      0.359801      5.213313
  Mo     -4.586809      2.408793      5.213687
  N      -4.919167      2.727328      7.332863
  C      -3.953864      3.101168      8.318387
  C      -2.650935      2.399544      7.904172
  N      -2.470109      2.317250      6.412544
  C      -1.885723      0.997015      6.055842
  C      -2.982640     -0.053307      6.097383
  C      -1.667297      3.448723      5.882786
  C      -2.496820      4.720229      5.860518
  N      -3.791114      4.400779      5.273577
  H      -2.578987     -1.029497      5.785013
  H      -3.359383     -0.176521      7.127700
  H      -1.493751      1.070375      5.032299
  H      -1.051701      0.738375      6.731212
  H      -2.604622      5.159584      6.867454
  H      -1.987982      5.485276      5.250975
  H      -0.743424      3.579286      6.471991
  H      -1.386959      3.186191      4.852502
  H      -4.238897      2.802198      9.340736
  H      -3.834693      4.195314      8.308133
  H      -2.691681      1.369593      8.278745
  H      -1.769039      2.884257      8.352516
  C      -7.738490      3.538867     -0.961287
  C      -7.012929      2.790928      0.128501
  O      -6.451550      3.416541      1.033827
  C      -7.040877      1.301743      0.126834
  C      -7.625287      0.527204     -0.892366
  C      -7.666835     -0.858967     -0.769738
  C      -7.145382     -1.475493      0.371826
  F      -7.261662     -2.813253      0.446719
  C      -6.541971     -0.742607      1.408191
  C      -5.933235     -1.329402      2.663576
  O      -5.849775     -2.545889      2.853404
  N      -5.502388     -0.327480      3.512549
  C      -4.560680     -0.577052      4.379039
  C      -6.505180      0.641398      1.234516
  C      -5.615371     10.432565     -1.182651
  C      -5.914240      9.414991     -0.103475
  O      -6.789648      8.566829     -0.264165
  C      -5.116477      9.460987      1.160132
  C      -3.999775     10.297926      1.322315
  C      -3.259377     10.264900      2.501684
  C      -3.635186      9.382572      3.511302
  F      -2.901478      9.366985      4.647789
  C      -4.752209      8.548848      3.399428
  C      -5.194225      7.551967      4.435931
  O      -6.373445      7.512097      4.791241
  N      -4.203745      6.677200      4.837236
  C      -4.566500      5.416294      4.865278
  C      -5.487774      8.615826      2.214907
  C     -10.954588     -1.518242      1.273980
  C     -10.273940     -1.405466      2.620283
  O     -10.205035     -2.369519      3.376331
  C      -9.672884     -0.091536      3.008640
  C      -9.839705      1.079745      2.248061
  C      -9.287702      2.282511      2.673132
  C      -8.545116      2.310126      3.848848
  F      -8.065108      3.503219      4.262652
  C      -8.340408      1.162352      4.628845
  C      -7.682010      1.156464      5.969030
  O      -8.188118      0.526436      6.898923
  N      -6.497330      1.863469      6.135542
  C      -6.074106      2.135492      7.398742
  C      -8.937085     -0.023682      4.195005
  H      -8.813362      3.295123     -0.920593
  H      -7.600988      4.617951     -0.817579
  H      -7.378680      3.246447     -1.961070
  H      -8.053890      0.995704     -1.779114
  H      -8.113247     -1.486221     -1.542695
  H      -4.080261     -1.571438      4.429186
  H      -6.048899      1.207165      2.038596
  H      -5.721968     11.456597     -0.794476
  H      -4.580550     10.329693     -1.539844
  H      -6.304112     10.279755     -2.020535
  H      -3.694472     10.977204      0.524760
  H      -2.391981     10.907987      2.651127
  H      -5.551708      5.118836      4.476949
  H      -6.362817      7.977189      2.093931
  H     -11.348781     -2.535329      1.155476
  H     -10.235244     -1.305581      0.465918
  H     -11.772993     -0.792104      1.180267
  H     -10.411638      1.059425      1.320624
  H      -9.423235      3.205553      2.109350
  H      -6.653351      1.886025      8.296668
  H      -8.825637     -0.924880      4.799221
  N      -5.116823      2.652805      3.590273
  H      -5.579846      2.985957      2.722097
88
Coordinates from ORCA-job orca E -6669.452595544311
  N      -4.065828      0.341310      5.245452
  Mo     -4.620577      2.379549      5.273907
  N      -4.905387      2.658274      7.402300
  C      -3.925848      3.038033      8.372782
  C      -2.614180      2.385283      7.904980
  N      -2.475349      2.327849      6.405140
  C      -1.866599      1.028167      6.014614
  C      -2.932665     -0.052243      6.083324
  C      -1.714424      3.485225      5.866387
  C      -2.572701      4.736228      5.888420
  N      -3.877465      4.397383      5.332436
  H      -2.515121     -1.013718      5.744221
  H      -3.267403     -0.197918      7.125381
  H      -1.513998      1.122817      4.978418
  H      -1.001762      0.787783      6.657068
  H      -2.662286      5.154017      6.907133
  H      -2.098799      5.524628      5.279012
  H      -0.775103      3.628786      6.428803
  H      -1.461290      3.243052      4.822976
  H      -4.173850      2.706145      9.395332
  H      -3.838477      4.135795      8.385774
  H      -2.610689      1.349163      8.264547
  H      -1.733653      2.891988      8.333096
  C      -7.601595      3.461878     -0.979293
  C      -6.916932      2.708483      0.135519
  O      -6.287882      3.326076      1.003436
  C      -7.037028      1.225283      0.186870
  C      -7.686391      0.454725     -0.793738
  C      -7.784362     -0.923990     -0.637450
  C      -7.250097     -1.536731      0.497926
  F      -7.408092     -2.866342      0.601431
  C      -6.594254     -0.806009      1.501905
  C      -5.958869     -1.388153      2.741152
  O      -5.875282     -2.605258      2.939255
  N      -5.531502     -0.374998      3.583553
  C      -4.553121     -0.602850      4.413744
  C      -6.508952      0.570016      1.299243
  C      -5.770429     10.343201     -1.196963
  C      -6.078373      9.373135     -0.073019
  O      -7.002932      8.567541     -0.174192
  C      -5.226731      9.407562      1.157575
  C      -4.064758     10.189727      1.255409
  C      -3.279065     10.146083      2.406256
  C      -3.655355      9.306556      3.451899
  F      -2.876470      9.279391      4.558497
  C      -4.814705      8.525953      3.403802
  C      -5.261082      7.570065      4.478044
  O      -6.426512      7.598580      4.885506
  N      -4.285213      6.667887      4.867888
  C      -4.664186      5.409397      4.927321
  C      -5.594200      8.604318      2.247498
  C     -10.885199     -1.203750      1.067495
  C     -10.222451     -1.192774      2.424808
  O     -10.206937     -2.196524      3.130222
  C      -9.580501      0.072594      2.892917
  C      -9.666346      1.281980      2.182441
  C      -9.073087      2.437433      2.680073
  C      -8.373106      2.372538      3.882931
  F      -7.847097      3.522082      4.366015
  C      -8.252915      1.187746      4.616172
  C      -7.628599      1.099336      5.972523
  O      -8.193767      0.490657      6.880290
  N      -6.455234      1.802655      6.196448
  C      -6.049542      2.048869      7.469033
  C      -8.885709      0.049677      4.107516
  H      -8.689568      3.302551     -0.914929
  H      -7.380398      4.535724     -0.890946
  H      -7.280455      3.096992     -1.965495
  H      -8.113476      0.919726     -1.682446
  H      -8.276839     -1.548039     -1.383857
  H      -4.040115     -1.583027      4.433552
  H      -6.006503      1.133859      2.077046
  H      -5.804707     11.384647     -0.835380
  H      -4.762374     10.173884     -1.593312
  H      -6.500759     10.204031     -2.003346
  H      -3.760158     10.834859      0.430478
  H      -2.377202     10.747341      2.506054
  H      -5.659670      5.111021      4.559106
  H      -6.503347      8.008155      2.177013
  H     -11.313238     -2.197279      0.889383
  H     -10.147449     -0.971067      0.283634
  H     -11.680194     -0.443639      1.004879
  H     -10.202835      1.327648      1.236936
  H      -9.141051      3.387658      2.155130
  H      -6.622942      1.770307      8.362659
  H      -8.836278     -0.880063      4.669987
  N      -5.184153      2.617762      3.662003
  H      -5.668904      2.948820      2.805829
88
Coordinates from ORCA-job orca E -6669.454921196133
  N      -4.053378      0.332279      5.242190
  Mo     -4.609145      2.370143      5.258689
  N      -4.914222      2.656891      7.384516
  C      -3.939532      3.031782      8.360862
  C      -2.623751      2.384146      7.898256
  N      -2.477841      2.329257      6.399390
  C      -1.858842      1.033448      6.010517
  C      -2.916949     -0.055631      6.078179
  C      -1.722072      3.493807      5.868280
  C      -2.589564      4.739276      5.890429
  N      -3.886404      4.395333      5.319787
  H      -2.492454     -1.013360      5.737756
  H      -3.249657     -0.206009      7.119973
  H      -1.506726      1.130756      4.974542
  H      -0.992414      0.800269      6.653432
  H      -2.691289      5.148765      6.910886
  H      -2.116603      5.535180      5.291344
  H      -0.786960      3.640755      6.435831
  H      -1.462238      3.257118      4.826070
  H      -4.192202      2.694832      9.380179
  H      -3.853996      4.129322      8.379985
  H      -2.616039      1.348193      8.257745
  H      -1.747921      2.895011      8.329324
  C      -7.616619      3.506068     -0.980195
  C      -6.935042      2.759005      0.138638
  O      -6.346275      3.384043      1.027211
  C      -7.013175      1.272522      0.167466
  C      -7.633651      0.502256     -0.832472
  C      -7.704801     -0.880066     -0.696857
  C      -7.172672     -1.498117      0.437327
  F      -7.310875     -2.831593      0.523515
  C      -6.541150     -0.769948      1.459105
  C      -5.913174     -1.365295      2.698875
  O      -5.800114     -2.583852      2.865085
  N      -5.506650     -0.368119      3.568905
  C      -4.531697     -0.605014      4.401656
  C      -6.479748      0.611849      1.276069
  C      -5.650663     10.464241     -1.205016
  C      -5.985463      9.465013     -0.117314
  O      -6.913595      8.671132     -0.258098
  C      -5.158828      9.463242      1.129164
  C      -4.001448     10.245935      1.272878
  C      -3.241911     10.175491      2.439141
  C      -3.639591      9.308950      3.453847
  F      -2.887917      9.259008      4.578077
  C      -4.793718      8.524536      3.358674
  C      -5.262540      7.544947      4.401703
  O      -6.437557      7.554210      4.775375
  N      -4.288500      6.658173      4.818557
  C      -4.661962      5.400497      4.882418
  C      -5.546838      8.629461      2.187361
  C     -10.968449     -1.371242      1.201529
  C     -10.270013     -1.319407      2.540873
  O     -10.198446     -2.314356      3.254988
  C      -9.660195     -0.024697      2.977142
  C      -9.802912      1.170324      2.250287
  C      -9.236727      2.352137      2.715013
  C      -8.507407      2.331871      3.901039
  F      -8.015778      3.504904      4.357444
  C      -8.328449      1.161083      4.649183
  C      -7.674397      1.109549      5.991977
  O      -8.209851      0.496945      6.915603
  N      -6.491144      1.811847      6.181618
  C      -6.067017      2.061307      7.449627
  C      -8.936064     -0.003779      4.173687
  H      -8.702266      3.322776     -0.934833
  H      -7.422943      4.580650     -0.876595
  H      -7.270498      3.158397     -1.964537
  H      -8.063218      0.971289     -1.718315
  H      -8.178450     -1.503116     -1.456432
  H      -4.011411     -1.581146      4.408270
  H      -5.999141      1.176326      2.068097
  H      -5.685016     11.494140     -0.815698
  H      -4.633791     10.297976     -1.586689
  H      -6.367247     10.353685     -2.026852
  H      -3.681507     10.913928      0.472564
  H      -2.344761     10.778252      2.575360
  H      -5.649230      5.096988      4.502784
  H      -6.453386      8.033586      2.081575
  H     -11.364965     -2.380713      1.044634
  H     -10.261324     -1.121672      0.395155
  H     -11.790436     -0.641146      1.152871
  H     -10.363175      1.183988      1.316365
  H      -9.349912      3.291859      2.175731
  H      -6.641474      1.793573      8.345510
  H      -8.841366     -0.923753      4.749249
  N      -5.151981      2.594968      3.636706
  H      -5.620214      2.916057      2.769256
88
Coordinates from ORCA-job orca E -6669.455741729132
  N      -4.037528      0.342864      5.221956
  Mo     -4.615121      2.376386      5.263581
  N      -4.902594      2.624402      7.397347
  C      -3.921405      2.992215      8.368898
  C      -2.600743      2.379999      7.872520
  N      -2.477733      2.354454      6.370210
  C      -1.840176      1.077188      5.950530
  C      -2.874795     -0.033473      6.025958
  C      -1.751453      3.543142      5.851512
  C      -2.642070      4.770546      5.914252
  N      -3.939232      4.418005      5.349665
  H      -2.439193     -0.977622      5.662725
  H      -3.180265     -0.205864      7.072544
  H      -1.512459      1.195837      4.908832
  H      -0.955777      0.853937      6.572187
  H      -2.739722      5.150432      6.946035
  H      -2.192014      5.590494      5.331354
  H      -0.810488      3.694735      6.407524
  H      -1.504108      3.333124      4.801101
  H      -4.153099      2.626074      9.382814
  H      -3.855034      4.090209      8.414202
  H      -2.564867      1.338591      8.213399
  H      -1.728861      2.901784      8.297067
  C      -7.648593      3.454418     -0.994465
  C      -6.970341      2.717531      0.132013
  O      -6.413075      3.351107      1.033933
  C      -7.037666      1.230739      0.165391
  C      -7.657463      0.450437     -0.827962
  C      -7.722469     -0.932353     -0.682120
  C      -7.181311     -1.540784      0.454075
  F      -7.313422     -2.874758      0.552242
  C      -6.545441     -0.801314      1.465752
  C      -5.896621     -1.381860      2.701365
  O      -5.751323     -2.596113      2.863929
  N      -5.511067     -0.378189      3.572286
  C      -4.511236     -0.594286      4.381335
  C      -6.494665      0.579493      1.274505
  C      -5.537077     10.454085     -1.217727
  C      -5.905368      9.459543     -0.138955
  O      -6.822436      8.659672     -0.308918
  C      -5.120363      9.468372      1.132284
  C      -3.974475     10.262656      1.308220
  C      -3.250887     10.203351      2.496127
  C      -3.671968      9.336182      3.500140
  F      -2.954934      9.299730      4.646344
  C      -4.816700      8.541071      3.373785
  C      -5.305731      7.562239      4.408509
  O      -6.493083      7.549318      4.734900
  N      -4.341443      6.674538      4.837435
  C      -4.713690      5.417927      4.904232
  C      -5.534722      8.635587      2.180428
  C     -10.980550     -1.345618      1.201295
  C     -10.278224     -1.305665      2.540108
  O     -10.193634     -2.311261      3.238219
  C      -9.671869     -0.012583      2.988564
  C      -9.814547      1.186110      2.267700
  C      -9.245827      2.365451      2.735578
  C      -8.516287      2.339668      3.919646
  F      -8.015114      3.506679      4.377810
  C      -8.340823      1.165530      4.664558
  C      -7.692179      1.113973      6.007996
  O      -8.216955      0.475102      6.921080
  N      -6.498379      1.801967      6.194854
  C      -6.058012      2.031712      7.462426
  C      -8.947756      0.002866      4.184585
  H      -8.733077      3.259424     -0.961806
  H      -7.469703      4.529592     -0.887756
  H      -7.287147      3.110071     -1.975548
  H      -8.095779      0.912045     -1.713588
  H      -8.199382     -1.562690     -1.433705
  H      -3.966413     -1.556110      4.366132
  H      -6.015082      1.151726      2.060819
  H      -5.588674     11.484435     -0.836656
  H      -4.504428     10.288441     -1.562410
  H      -6.224649     10.337084     -2.061605
  H      -3.635374     10.929933      0.515501
  H      -2.362830     10.815513      2.657512
  H      -5.698084      5.111563      4.524431
  H      -6.432890      8.030709      2.049326
  H     -11.368733     -2.355592      1.030348
  H     -10.278909     -1.078248      0.395658
  H     -11.807888     -0.622412      1.166274
  H     -10.375571      1.205527      1.332909
  H      -9.356799      3.308812      2.199256
  H      -6.626334      1.753895      8.358479
  H      -8.852916     -0.921229      4.756817
  N      -5.165624      2.611936      3.644503
  H      -5.638181      2.939359      2.778838
88
Coordinates from ORCA-job orca E -6669.456676512070
  N      -4.011546      0.339462      5.220347
  Mo     -4.616589      2.365608      5.271127
  N      -4.896319      2.579302      7.409988
  C      -3.915262      2.949969      8.379972
  C      -2.585234      2.380850      7.857171
  N      -2.479949      2.377795      6.352137
  C      -1.817532      1.120155      5.910315
  C      -2.822201     -0.017530      5.993985
  C      -1.787010      3.590892      5.843142
  C      -2.705382      4.795549      5.937258
  N      -4.000911      4.427196      5.376478
  H      -2.370177     -0.945344      5.609296
  H      -3.100567     -0.211886      7.044217
  H      -1.511600      1.256408      4.864048
  H      -0.916802      0.915205      6.514626
  H      -2.803048      5.149710      6.978034
  H      -2.280214      5.637828      5.368425
  H      -0.842732      3.754362      6.390165
  H      -1.548249      3.403389      4.786498
  H      -4.126994      2.556805      9.388052
  H      -3.874690      4.048129      8.448515
  H      -2.515796      1.336518      8.182703
  H      -1.722201      2.921112      8.276170
  C      -7.664649      3.432574     -0.975881
  C      -6.992486      2.699692      0.157426
  O      -6.436226      3.336975      1.057464
  C      -7.056879      1.213008      0.194899
  C      -7.688600      0.431277     -0.789640
  C      -7.755640     -0.950952     -0.639691
  C      -7.201578     -1.558044      0.490934
  F      -7.338986     -2.890419      0.597033
  C      -6.549179     -0.817675      1.491346
  C      -5.879059     -1.398250      2.715498
  O      -5.707468     -2.610643      2.862974
  N      -5.504864     -0.396791      3.595322
  C      -4.480204     -0.598372      4.377946
  C      -6.499900      0.562893      1.298161
  C      -5.439754     10.475568     -1.246737
  C      -5.840879      9.479558     -0.180745
  O      -6.757770      8.685471     -0.376728
  C      -5.089170      9.480942      1.110363
  C      -3.946884     10.272517      1.319950
  C      -3.253460     10.204660      2.525170
  C      -3.700664      9.331648      3.512839
  F      -3.011242      9.286616      4.675593
  C      -4.843573      8.539612      3.353454
  C      -5.358695      7.553152      4.368689
  O      -6.551763      7.547154      4.675455
  N      -4.401322      6.672980      4.824514
  C      -4.773411      5.417595      4.910604
  C      -5.531486      8.643483      2.143261
  C     -10.996021     -1.310752      1.181087
  C     -10.271258     -1.298338      2.508648
  O     -10.165578     -2.321013      3.178381
  C      -9.674656     -0.009641      2.982095
  C      -9.829418      1.201542      2.284590
  C      -9.262833      2.375263      2.769354
  C      -8.524533      2.330769      3.947264
  F      -8.024140      3.491192      4.423122
  C      -8.339762      1.144818      4.670574
  C      -7.682619      1.076652      6.009120
  O      -8.202685      0.429322      6.918678
  N      -6.492701      1.770657      6.199994
  C      -6.051251      1.986330      7.470434
  C      -8.943345     -0.012341      4.174028
  H      -8.750363      3.244934     -0.944716
  H      -7.480727      4.507763     -0.876369
  H      -7.303423      3.078999     -1.953232
  H      -8.138617      0.891846     -1.669906
  H      -8.246219     -1.581272     -1.382274
  H      -3.912643     -1.546181      4.336318
  H      -6.011756      1.136659      2.078082
  H      -5.493628     11.505133     -0.863674
  H      -4.400005     10.303749     -1.566704
  H      -6.107135     10.365912     -2.107660
  H      -3.586596     10.943490      0.539858
  H      -2.368741     10.814286      2.712498
  H      -5.754947      5.104196      4.528387
  H      -6.426828      8.040498      1.986452
  H     -11.375001     -2.320231      0.988972
  H     -10.311396     -1.013183      0.371532
  H     -11.832508     -0.596821      1.180155
  H     -10.398078      1.234914      1.354863
  H      -9.381384      3.327819      2.251553
  H      -6.617859      1.696773      8.363914
  H      -8.839223     -0.946372      4.728104
  N      -5.158443      2.596761      3.648031
  H      -5.627812      2.921669      2.779741
88
Coordinates from ORCA-job orca E -6669.457575797954
  N      -3.987128      0.330339      5.225891
  Mo     -4.618012      2.349616      5.279312
  N      -4.883859      2.526389      7.422526
  C      -3.902466      2.902308      8.389696
  C      -2.565103      2.379062      7.838762
  N      -2.482103      2.396258      6.330475
  C      -1.797225      1.157508      5.867590
  C      -2.770507     -0.006396      5.964795
  C      -1.824990      3.631974      5.827718
  C      -2.770061      4.812574      5.954597
  N      -4.067099      4.429224      5.402904
  H      -2.303762     -0.917387      5.557730
  H      -3.018003     -0.220540      7.018777
  H      -1.515435      1.308160      4.816330
  H      -0.879961      0.972864      6.453285
  H      -2.863326      5.142680      7.003617
  H      -2.371549      5.674975      5.397246
  H      -0.876084      3.809352      6.362633
  H      -1.598299      3.465110      4.764700
  H      -4.091371      2.483054      9.391977
  H      -3.888209      3.999735      8.481492
  H      -2.459484      1.333251      8.148513
  H      -1.711023      2.939374      8.249611
  C      -7.596744      3.413512     -0.986013
  C      -6.939711      2.681843      0.157670
  O      -6.357948      3.320110      1.041060
  C      -7.038798      1.197901      0.218879
  C      -7.700130      0.419419     -0.748168
  C      -7.798014     -0.958820     -0.581465
  C      -7.245578     -1.565521      0.549437
  F      -7.413113     -2.892089      0.674757
  C      -6.564387     -0.829326      1.532984
  C      -5.888263     -1.414020      2.751737
  O      -5.713610     -2.626558      2.893021
  N      -5.507853     -0.415434      3.633583
  C      -4.458911     -0.608488      4.386749
  C      -6.484986      0.547754      1.324350
  C      -5.389228     10.502419     -1.261005
  C      -5.810082      9.499055     -0.208571
  O      -6.725685      8.708448     -0.425554
  C      -5.081425      9.490457      1.095779
  C      -3.943425     10.280890      1.333205
  C      -3.272938     10.203788      2.550786
  C      -3.738402      9.323039      3.523299
  F      -3.069744      9.268903      4.697837
  C      -4.877473      8.531450      3.336176
  C      -5.414012      7.539683      4.335633
  O      -6.615185      7.532117      4.613713
  N      -4.462255      6.664175      4.811621
  C      -4.836916      5.409700      4.918453
  C      -5.541740      8.644332      2.113598
  C     -11.043254     -1.266791      1.180032
  C     -10.290031     -1.278725      2.491487
  O     -10.174468     -2.312944      3.141536
  C      -9.681774      0.000678      2.973800
  C      -9.829120      1.217928      2.286229
  C      -9.248298      2.383049      2.776031
  C      -8.504537      2.321544      3.950294
  F      -7.991353      3.474735      4.432300
  C      -8.328557      1.129670      4.664736
  C      -7.667716      1.048553      6.001421
  O      -8.192213      0.402701      6.909297
  N      -6.479300      1.742898      6.200661
  C      -6.040550      1.938451      7.475824
  C      -8.944207     -0.018634      4.162154
  H      -8.687286      3.263125     -0.944252
  H      -7.377461      4.484731     -0.909726
  H      -7.255114      3.028482     -1.957627
  H      -8.148094      0.879944     -1.629378
  H      -8.312473     -1.585399     -1.310600
  H      -3.875604     -1.545325      4.318255
  H      -5.975595      1.119788      2.092452
  H      -5.445701     11.529656     -0.870855
  H      -4.345590     10.329485     -1.566722
  H      -6.043463     10.401698     -2.133281
  H      -3.569470     10.958669      0.565962
  H      -2.392803     10.812775      2.759636
  H      -5.818655      5.090754      4.539285
  H      -6.434319      8.042582      1.936494
  H     -11.428204     -2.271824      0.979420
  H     -10.375152     -0.957916      0.361854
  H     -11.878610     -0.550638      1.209619
  H     -10.404536      1.263533      1.361539
  H      -9.359611      3.340525      2.266641
  H      -6.609513      1.639578      8.364752
  H      -8.846306     -0.957481      4.708099
  N      -5.146865      2.575447      3.650938
  H      -5.613514      2.899988      2.781403
88
Coordinates from ORCA-job orca E -6669.458366221096
  N      -3.961267      0.323414      5.225181
  Mo     -4.614370      2.337972      5.284989
  N      -4.870128      2.478983      7.432627
  C      -3.887584      2.855363      8.397943
  C      -2.545191      2.372183      7.823492
  N      -2.480819      2.410666      6.312867
  C      -1.776191      1.190872      5.827814
  C      -2.721415      0.004511      5.932359
  C      -1.855342      3.666480      5.819492
  C      -2.822155      4.825367      5.977756
  N      -4.120588      4.430768      5.432191
  H      -2.242459     -0.890122      5.503362
  H      -2.940869     -0.228431      6.988428
  H      -1.515057      1.356721      4.773393
  H      -0.845626      1.023003      6.397295
  H      -2.911052      5.132733      7.034014
  H      -2.446099      5.705364      5.432805
  H      -0.902950      3.855177      6.344287
  H      -1.639582      3.519849      4.751042
  H      -4.057594      2.412763      9.393702
  H      -3.894051      3.950956      8.512456
  H      -2.408960      1.325452      8.117002
  H      -1.699545      2.948368      8.229503
  C      -7.572877      3.383567     -0.987818
  C      -6.931325      2.656425      0.167841
  O      -6.353476      3.298389      1.051435
  C      -7.036825      1.173713      0.238696
  C      -7.707413      0.393852     -0.720680
  C      -7.814528     -0.982434     -0.545360
  C      -7.260108     -1.586065      0.585846
  F      -7.437455     -2.909991      0.721955
  C      -6.565967     -0.849154      1.559559
  C      -5.878106     -1.433113      2.772039
  O      -5.697377     -2.645048      2.909611
  N      -5.501807     -0.435664      3.657519
  C      -4.434956     -0.616817      4.388616
  C      -6.480113      0.526211      1.344544
  C      -5.336137     10.527540     -1.271781
  C      -5.773167      9.514734     -0.234621
  O      -6.680315      8.721139     -0.475667
  C      -5.070167      9.499320      1.083750
  C      -3.940710     10.292861      1.350138
  C      -3.294177     10.208548      2.580191
  C      -3.774746      9.317848      3.536415
  F      -3.128441      9.256936      4.723325
  C      -4.906281      8.523123      3.320697
  C      -5.459509      7.523528      4.303502
  O      -6.666497      7.515066      4.559015
  N      -4.511284      6.656263      4.800491
  C      -4.887866      5.402653      4.929238
  C      -5.546443      8.643224      2.085843
  C     -11.079989     -1.226278      1.181036
  C     -10.318350     -1.249887      2.487563
  O     -10.206229     -2.288210      3.131604
  C      -9.696507      0.022110      2.971369
  C      -9.828074      1.241083      2.283683
  C      -9.233410      2.398864      2.774604
  C      -8.491699      2.327129      3.949861
  F      -7.964181      3.474090      4.432088
  C      -8.331213      1.133297      4.664292
  C      -7.669499      1.042680      6.000037
  O      -8.199392      0.399075      6.906399
  N      -6.477179      1.729898      6.203326
  C      -6.033090      1.903792      7.480743
  C      -8.960767     -0.006935      4.160793
  H      -8.665003      3.242427     -0.955954
  H      -7.346120      4.453905     -0.917750
  H      -7.225502      2.988078     -1.953048
  H      -8.156688      0.852421     -1.602226
  H      -8.337934     -1.609377     -1.267774
  H      -3.836702     -1.542442      4.298042
  H      -5.962387      1.099452      2.106402
  H      -5.402927     11.551806     -0.874787
  H      -4.286992     10.360119     -1.559966
  H      -5.973907     10.431613     -2.156983
  H      -3.554851     10.978781      0.595945
  H      -2.421502     10.819819      2.811268
  H      -5.868331      5.077899      4.550762
  H      -6.432840      8.039385      1.887136
  H     -11.475842     -2.227085      0.980089
  H     -10.413451     -0.922720      0.359672
  H     -11.907836     -0.501678      1.218500
  H     -10.402939      1.293994      1.359306
  H      -9.332261      3.358116      2.266751
  H      -6.604571      1.601007      8.366695
  H      -8.874395     -0.947231      4.705658
  N      -5.125300      2.565651      3.650645
  H      -5.586101      2.893796      2.779317
88
Coordinates from ORCA-job orca E -6669.459111437658
  N      -3.947319      0.317530      5.227806
  Mo     -4.613592      2.330903      5.292158
  N      -4.855406      2.438436      7.443580
  C      -3.869582      2.812850      8.405476
  C      -2.525672      2.362943      7.808140
  N      -2.481281      2.419519      6.295580
  C      -1.763698      1.215608      5.788201
  C      -2.685827      0.011694      5.900861
  C      -1.883032      3.691278      5.809704
  C      -2.864394      4.832883      5.999801
  N      -4.166495      4.431941      5.463153
  H      -2.200519     -0.868463      5.449279
  H      -2.875344     -0.238000      6.958862
  H      -1.523608      1.394637      4.730914
  H      -0.820721      1.060727      6.340586
  H      -2.945424      5.120331      7.062161
  H      -2.506929      5.726842      5.465279
  H      -0.925868      3.888382      6.322538
  H      -1.680956      3.562091      4.736247
  H      -4.021758      2.349982      9.395036
  H      -3.892033      3.906090      8.541046
  H      -2.363768      1.316178      8.087421
  H      -1.686022      2.951704      8.208071
  C      -7.544753      3.351659     -0.991463
  C      -6.913174      2.629925      0.172834
  O      -6.336316      3.276139      1.054043
  C      -7.028624      1.148757      0.255361
  C      -7.702175      0.366787     -0.700347
  C      -7.821346     -1.007281     -0.515174
  C      -7.275328     -1.606509      0.622139
  F      -7.464252     -2.927878      0.768800
  C      -6.577957     -0.867608      1.592177
  C      -5.895983     -1.449044      2.809127
  O      -5.704967     -2.659474      2.943703
  N      -5.513783     -0.450818      3.690301
  C      -4.429873     -0.623224      4.397688
  C      -6.480271      0.505509      1.368130
  C      -5.304923     10.547768     -1.276702
  C      -5.750368      9.524428     -0.253954
  O      -6.650047      8.728172     -0.513510
  C      -5.065494      9.502747      1.073539
  C      -3.943557     10.299878      1.360859
  C      -3.314149     10.210318      2.599081
  C      -3.804156      9.311306      3.542721
  F      -3.174365      9.246632      4.738286
  C      -4.928711      8.512583      3.306255
  C      -5.492999      7.508755      4.278744
  O      -6.704927      7.494859      4.511177
  N      -4.547886      6.647958      4.791346
  C      -4.929975      5.396628      4.942924
  C      -5.551582      8.637769      2.063127
  C     -11.099390     -1.182468      1.174112
  C     -10.321973     -1.219436      2.471280
  O     -10.206476     -2.263333      3.105854
  C      -9.695979      0.047658      2.962028
  C      -9.824480      1.271110      2.281997
  C      -9.227071      2.424203      2.780493
  C      -8.486781      2.343109      3.955775
  F      -7.959013      3.486441      4.446082
  C      -8.329206      1.144479      4.663019
  C      -7.667824      1.041530      5.997484
  O      -8.195869      0.384302      6.895621
  N      -6.476479      1.728845      6.208400
  C      -6.027527      1.882100      7.487485
  C      -8.960783      0.008995      4.151338
  H      -8.638321      3.219532     -0.964156
  H      -7.309804      4.420510     -0.928259
  H      -7.196130      2.945605     -1.952417
  H      -8.144145      0.822590     -1.587036
  H      -8.347249     -1.635481     -1.234822
  H      -3.824067     -1.542012      4.288823
  H      -5.960613      1.080712      2.127529
  H      -5.380827     11.568033     -0.871734
  H      -4.251687     10.387046     -1.553449
  H      -5.931369     10.457193     -2.170408
  H      -3.550547     10.992980      0.616823
  H      -2.447794     10.824455      2.846270
  H      -5.910414      5.068793      4.568402
  H      -6.432750      8.031591      1.848663
  H     -11.501762     -2.180361      0.970400
  H     -10.440653     -0.876645      0.347125
  H     -11.922765     -0.454434      1.227090
  H     -10.399622      1.331713      1.358148
  H      -9.323306      3.387607      2.279750
  H      -6.602127      1.576485      8.370264
  H      -8.876935     -0.935231      4.690101
  N      -5.106308      2.563739      3.652200
  H      -5.561694      2.898734      2.780054
88
Coordinates from ORCA-job orca E -6669.459794944097
  N      -3.924200      0.309216      5.231154
  Mo     -4.606974      2.320707      5.294639
  N      -4.843295      2.400114      7.448045
  C      -3.858367      2.776471      8.409287
  C      -2.510972      2.358260      7.796642
  N      -2.480007      2.428363      6.283239
  C      -1.746638      1.240765      5.758707
  C      -2.644700      0.018712      5.875669
  C      -1.908503      3.715411      5.805024
  C      -2.904869      4.839294      6.021122
  N      -4.207415      4.428724      5.489525
  H      -2.151316     -0.846355      5.403973
  H      -2.806925     -0.247078      6.934418
  H      -1.523556      1.431845      4.699835
  H      -0.793911      1.100830      6.298040
  H      -2.981973      5.109239      7.088204
  H      -2.564503      5.745836      5.496571
  H      -0.948978      3.923074      6.309282
  H      -1.716325      3.601424      4.728044
  H      -3.996275      2.296848      9.393035
  H      -3.898020      3.867181      8.562243
  H      -2.324988      1.313024      8.066113
  H      -1.679682      2.960924      8.192943
  C      -7.526237      3.324295     -0.991846
  C      -6.899434      2.608771      0.178714
  O      -6.317008      3.258659      1.053875
  C      -7.022753      1.129370      0.272515
  C      -7.705598      0.346053     -0.675504
  C      -7.832278     -1.025934     -0.482306
  C      -7.282562     -1.621750      0.654702
  F      -7.475814     -2.941647      0.808577
  C      -6.575419     -0.881689      1.616687
  C      -5.885906     -1.462959      2.829232
  O      -5.703637     -2.674592      2.967347
  N      -5.502974     -0.466271      3.711063
  C      -4.409757     -0.632355      4.404398
  C      -6.472134      0.489899      1.386398
  C      -5.269100     10.574957     -1.278819
  C      -5.722100      9.537382     -0.273951
  O      -6.611426      8.737277     -0.555704
  C      -5.057296      9.506901      1.063555
  C      -3.946046     10.309424      1.375313
  C      -3.335992     10.213942      2.622788
  C      -3.834634      9.304000      3.551273
  F      -3.224476      9.236208      4.757068
  C      -4.949023      8.498516      3.290235
  C      -5.523802      7.488210      4.250508
  O      -6.741538      7.460379      4.451365
  N      -4.582125      6.633373      4.778368
  C      -4.968133      5.383767      4.948062
  C      -5.552343      8.629495      2.037826
  C     -11.135292     -1.147377      1.177717
  C     -10.349213     -1.192381      2.469338
  O     -10.232788     -2.239069      3.099015
  C      -9.709339      0.069019      2.957495
  C      -9.828675      1.293953      2.278245
  C      -9.220508      2.441114      2.776838
  C      -8.479240      2.353106      3.951079
  F      -7.942658      3.491855      4.441484
  C      -8.329675      1.152984      4.657488
  C      -7.667618      1.040143      5.990541
  O      -8.193802      0.373357      6.882637
  N      -6.476356      1.726299      6.206275
  C      -6.024241      1.863259      7.486538
  C      -8.971515      0.023281      4.144977
  H      -8.620492      3.198215     -0.965882
  H      -7.285663      4.391795     -0.936366
  H      -7.178111      2.909240     -1.949018
  H      -8.148915      0.799874     -1.562548
  H      -8.365154     -1.655015     -1.196052
  H      -3.797074     -1.545271      4.282287
  H      -5.945617      1.066860      2.140262
  H      -5.357508     11.590115     -0.863342
  H      -4.211078     10.424288     -1.542286
  H      -5.882228     10.490536     -2.182438
  H      -3.546643     11.012045      0.643682
  H      -2.478537     10.832469      2.888988
  H      -5.946622      5.050816      4.574742
  H      -6.426021      8.019568      1.804394
  H     -11.548858     -2.141276      0.977083
  H     -10.478675     -0.849177      0.346259
  H     -11.950425     -0.410739      1.236316
  H     -10.405092      1.360167      1.355562
  H      -9.309888      3.406090      2.278113
  H      -6.604604      1.558507      8.365997
  H      -8.894897     -0.921841      4.683005
  N      -5.074883      2.555819      3.646549
  H      -5.521087      2.894374      2.770974
88
Coordinates from ORCA-job orca E -6669.460387424545
  N      -3.899838      0.299624      5.234743
  Mo     -4.596563      2.308906      5.297100
  N      -4.829190      2.364561      7.451258
  C      -3.845553      2.743021      8.412411
  C      -2.495264      2.351141      7.787463
  N      -2.474651      2.432804      6.274346
  C      -1.728114      1.260325      5.734037
  C      -2.604790      0.022547      5.853165
  C      -1.925523      3.732940      5.804152
  C      -2.934332      4.841333      6.042435
  N      -4.236358      4.421090      5.515849
  H      -2.105559     -0.828608      5.362696
  H      -2.741256     -0.258482      6.911854
  H      -1.520523      1.462806      4.674117
  H      -0.767103      1.133223      6.261627
  H      -3.007750      5.095967      7.113262
  H      -2.609027      5.758201      5.526674
  H      -0.964233      3.948842      6.301725
  H      -1.741848      3.632620      4.724440
  H      -3.971332      2.249348      9.390785
  H      -3.899841      3.831010      8.580005
  H      -2.289676      1.307536      8.048910
  H      -1.671560      2.965208      8.181824
  C      -7.482657      3.282698     -1.006191
  C      -6.860474      2.574109      0.170923
  O      -6.269751      3.228269      1.037059
  C      -7.004204      1.097698      0.284590
  C      -7.697474      0.312118     -0.654112
  C      -7.840362     -1.056173     -0.446036
  C      -7.295067     -1.646189      0.696183
  F      -7.501194     -2.962671      0.862801
  C      -6.579267     -0.903845      1.650183
  C      -5.893838     -1.481855      2.866709
  O      -5.716247     -2.693458      3.010653
  N      -5.497164     -0.482970      3.739198
  C      -4.392410     -0.643952      4.415134
  C      -6.461193      0.464479      1.406030
  C      -5.273979     10.600259     -1.271635
  C      -5.728040      9.549486     -0.281356
  O      -6.610232      8.746921     -0.578074
  C      -5.071384      9.507801      1.059776
  C      -3.966386     10.312853      1.386817
  C      -3.364409     10.208001      2.637410
  C      -3.865074      9.286659      3.553463
  F      -3.263205      9.211362      4.762928
  C      -4.973428      8.477589      3.276699
  C      -5.551037      7.457487      4.224887
  O      -6.770672      7.422294      4.413437
  N      -4.608590      6.612769      4.766439
  C      -4.995793      5.365575      4.954707
  C      -5.568487      8.618062      2.021620
  C     -11.166741     -1.080289      1.166606
  C     -10.377595     -1.139988      2.455865
  O     -10.272006     -2.190359      3.081346
  C      -9.721087      0.111860      2.946886
  C      -9.823273      1.339373      2.269271
  C      -9.200175      2.477182      2.770317
  C      -8.461794      2.377907      3.945201
  F      -7.909847      3.508247      4.437041
  C      -8.328499      1.174943      4.650271
  C      -7.668323      1.048313      5.982872
  O      -8.196124      0.373881      6.868245
  N      -6.473081      1.726048      6.203461
  C      -6.018939      1.847885      7.484695
  C      -8.985018      0.054669      4.134793
  H      -8.578039      3.167611     -0.977467
  H      -7.231038      4.348233     -0.962807
  H      -7.139884      2.853858     -1.959324
  H      -8.135670      0.761713     -1.545807
  H      -8.380985     -1.686732     -1.152585
  H      -3.778291     -1.554851      4.284664
  H      -5.928923      1.043899      2.153985
  H      -5.369749     11.610026     -0.845280
  H      -4.213417     10.457584     -1.529987
  H      -5.881090     10.523205     -2.179809
  H      -3.565485     11.024782      0.665083
  H      -2.511758     10.828126      2.915604
  H      -5.972014      5.026216      4.582894
  H      -6.437605      8.006282      1.775941
  H     -11.597988     -2.066770      0.966167
  H     -10.507022     -0.793274      0.333483
  H     -11.968186     -0.329365      1.227657
  H     -10.396952      1.414777      1.345487
  H      -9.275873      3.444285      2.273045
  H      -6.606936      1.548596      8.361147
  H      -8.920848     -0.892377      4.671343
  N      -5.044689      2.547672      3.642988
  H      -5.484083      2.889002      2.765032
88
Coordinates from ORCA-job orca E -6669.460898158245
  N      -3.879504      0.293705      5.240270
  Mo     -4.584776      2.301778      5.298609
  N      -4.819887      2.336971      7.452337
  C      -3.839675      2.717384      8.415858
  C      -2.485910      2.346353      7.783702
  N      -2.469835      2.437110      6.271515
  C      -1.712634      1.277297      5.718889
  C      -2.572390      0.027159      5.837346
  C      -1.936114      3.747610      5.810247
  C      -2.954319      4.843832      6.066218
  N      -4.254813      4.416044      5.541718
  H      -2.069305     -0.812179      5.330696
  H      -2.687072     -0.267367      6.895190
  H      -1.516559      1.489667      4.658672
  H      -0.745812      1.160267      6.238015
  H      -3.025722      5.084077      7.140317
  H      -2.640064      5.769343      5.559481
  H      -0.973983      3.967752      6.304453
  H      -1.758148      3.659527      4.728590
  H      -3.956979      2.211374      9.388958
  H      -3.906315      3.802679      8.595930
  H      -2.265409      1.304330      8.039582
  H      -1.669451      2.969385      8.179028
  C      -7.478375      3.246428     -1.004518
  C      -6.856003      2.546239      0.177653
  O      -6.255828      3.204722      1.033780
  C      -7.004199      1.071074      0.302890
  C      -7.699094      0.281017     -0.630852
  C      -7.844420     -1.085689     -0.414639
  C      -7.298387     -1.669847      0.730312
  F      -7.504600     -2.985377      0.903116
  C      -6.581039     -0.922867      1.679589
  C      -5.893354     -1.496512      2.896498
  O      -5.719909     -2.707927      3.046657
  N      -5.490437     -0.495746      3.763407
  C      -4.377880     -0.652282      4.427306
  C      -6.462136      0.444250      1.428283
  C      -5.277009     10.619785     -1.267955
  C      -5.729718      9.557562     -0.289395
  O      -6.610405      8.756871     -0.595104
  C      -5.077432      9.506070      1.053516
  C      -3.977304     10.313174      1.391301
  C      -3.380888     10.201840      2.643978
  C      -3.882291      9.272272      3.551086
  F      -3.286800      9.193407      4.763362
  C      -4.985303      8.459162      3.262790
  C      -5.564789      7.432782      4.203022
  O      -6.787460      7.379122      4.367654
  N      -4.622384      6.595804      4.756513
  C      -5.010519      5.350887      4.958233
  C      -5.574744      8.606369      2.005995
  C     -11.184681     -1.020519      1.144022
  C     -10.385029     -1.097539      2.425687
  O     -10.280692     -2.154436      3.040267
  C      -9.721848      0.147083      2.926583
  C      -9.821105      1.381507      2.260963
  C      -9.194190      2.512518      2.772536
  C      -8.454708      2.399926      3.945363
  F      -7.902810      3.524725      4.449622
  C      -8.322541      1.189529      4.637963
  C      -7.660536      1.045296      5.967944
  O      -8.188605      0.363689      6.847414
  N      -6.468181      1.725658      6.195901
  C      -6.018704      1.841921      7.479177
  C      -8.983670      0.076364      4.112243
  H      -8.573751      3.132793     -0.974356
  H      -7.224958      4.311702     -0.970394
  H      -7.136269      2.809615     -1.954295
  H      -8.137031      0.726222     -1.524838
  H      -8.386649     -1.719598     -1.116888
  H      -3.762442     -1.561439      4.290784
  H      -5.930465      1.027962      2.173451
  H      -5.375441     11.624730     -0.831133
  H      -4.215574     10.482132     -1.526156
  H      -5.882708     10.550849     -2.177623
  H      -3.576190     11.032355      0.677040
  H      -2.532373     10.823711      2.931058
  H      -5.983793      5.006403      4.585711
  H      -6.440534      7.993343      1.751450
  H     -11.628147     -2.000830      0.940369
  H     -10.528615     -0.735022      0.307628
  H     -11.977296     -0.261192      1.216068
  H     -10.395936      1.467726      1.338830
  H      -9.269226      3.485208      2.285840
  H      -6.616335      1.550063      8.351734
  H      -8.921422     -0.875831      4.640016
  N      -5.010752      2.544230      3.637967
  H      -5.440342      2.885970      2.755396
88
Coordinates from ORCA-job orca E -6669.461321736209
  N      -3.864520      0.283111      5.251447
  Mo     -4.575939      2.288925      5.302431
  N      -4.810283      2.311193      7.455545
  C      -3.831617      2.694260      8.419599
  C      -2.476139      2.339740      7.780027
  N      -2.465428      2.436435      6.268676
  C      -1.701012      1.285796      5.707011
  C      -2.546605      0.026039      5.828576
  C      -1.943420      3.754413      5.812401
  C      -2.969203      4.840703      6.082316
  N      -4.269028      4.404686      5.563140
  H      -2.042025     -0.804267      5.308591
  H      -2.641374     -0.277899      6.885877
  H      -1.516187      1.503901      4.645869
  H      -0.728774      1.177901      6.217897
  H      -3.036381      5.069796      7.159049
  H      -2.665813      5.772747      5.581372
  H      -0.979802      3.977057      6.302591
  H      -1.771882      3.675068      4.729008
  H      -3.940260      2.178332      9.388485
  H      -3.907621      3.777237      8.609416
  H      -2.243320      1.299387      8.031873
  H      -1.665299      2.970148      8.175373
  C      -7.459767      3.210275     -1.007460
  C      -6.837418      2.518653      0.180124
  O      -6.229352      3.181925      1.026577
  C      -6.994933      1.045246      0.319706
  C      -7.690057      0.251122     -0.610361
  C      -7.839333     -1.113868     -0.386528
  C      -7.296015     -1.692874      0.762311
  F      -7.501770     -3.007610      0.939862
  C      -6.580251     -0.941692      1.709378
  C      -5.894527     -1.512780      2.928082
  O      -5.725783     -2.724071      3.083562
  N      -5.487460     -0.511248      3.792126
  C      -4.368955     -0.665971      4.446289
  C      -6.458572      0.424376      1.451270
  C      -5.300388     10.649758     -1.259214
  C      -5.754575      9.579131     -0.290295
  O      -6.637813      8.783745     -0.602626
  C      -5.097270      9.509420      1.049470
  C      -3.995215     10.311029      1.393568
  C      -3.395793     10.184301      2.643400
  C      -3.895968      9.244927      3.541053
  F      -3.297868      9.153287      4.750966
  C      -5.000365      8.435599      3.245815
  C      -5.579590      7.399134      4.174644
  O      -6.803360      7.336963      4.331000
  N      -4.635522      6.571500      4.740528
  C      -5.022408      5.329058      4.958671
  C      -5.592802      8.598690      1.992490
  C     -11.197533     -0.956272      1.123931
  C     -10.395002     -1.046998      2.402865
  O     -10.289062     -2.110525      3.005676
  C      -9.722409      0.189796      2.909897
  C      -9.810734      1.427259      2.248431
  C      -9.177337      2.552019      2.765853
  C      -8.442432      2.430039      3.940550
  F      -7.886349      3.549928      4.451594
  C      -8.319581      1.216130      4.628551
  C      -7.662783      1.062347      5.960630
  O      -8.190544      0.370468      6.831882
  N      -6.464558      1.731005      6.193431
  C      -6.018121      1.839090      7.478517
  C      -8.986674      0.109236      4.096444
  H      -8.555165      3.098108     -0.976059
  H      -7.204475      4.275575     -0.983209
  H      -7.118109      2.764999     -1.953469
  H      -8.124235      0.691765     -1.508418
  H      -8.381449     -1.750723     -1.086094
  H      -3.752683     -1.573632      4.303763
  H      -5.929607      1.012208      2.195589
  H      -5.392944     11.650512     -0.811533
  H      -4.240437     10.510290     -1.522092
  H      -5.909057     10.592774     -2.167735
  H      -3.594916     11.038179      0.686928
  H      -2.546007     10.801814      2.935909
  H      -5.993645      4.978106      4.587545
  H      -6.460183      7.990125      1.732891
  H     -11.649958     -1.931543      0.915977
  H     -10.541293     -0.671771      0.287415
  H     -11.983465     -0.190375      1.201062
  H     -10.382497      1.520680      1.325215
  H      -9.245208      3.527050      2.283093
  H      -6.626059      1.561393      8.348657
  H      -8.932573     -0.844946      4.621461
  N      -4.988039      2.530140      3.637198
  H      -5.410747      2.866528      2.750117
88
Coordinates from ORCA-job orca E -6669.461682315444
  N      -3.841082      0.282490      5.250857
  Mo     -4.557898      2.285161      5.297316
  N      -4.802489      2.287051      7.449338
  C      -3.830205      2.671810      8.419351
  C      -2.469708      2.334631      7.779618
  N      -2.455435      2.441229      6.269429
  C      -1.682589      1.299560      5.700415
  C      -2.517094      0.031824      5.817044
  C      -1.940080      3.766447      5.824668
  C      -2.973894      4.842809      6.105691
  N      -4.270369      4.400136      5.584479
  H      -2.009191     -0.789755      5.286506
  H      -2.600889     -0.281952      6.872389
  H      -1.501662      1.525124      4.640137
  H      -0.708634      1.197358      6.209128
  H      -3.041581      5.057906      7.185246
  H      -2.678736      5.782394      5.614483
  H      -0.977558      3.988263      6.316988
  H      -1.769094      3.698386      4.740483
  H      -3.934905      2.144247      9.382349
  H      -3.916573      3.751936      8.620364
  H      -2.226977      1.295203      8.025788
  H      -1.666406      2.970276      8.181840
  C      -7.436128      3.165461     -1.021387
  C      -6.808577      2.480776      0.167745
  O      -6.187129      3.146795      1.001832
  C      -6.983567      1.011494      0.327556
  C      -7.687780      0.212979     -0.591902
  C      -7.846748     -1.148286     -0.353563
  C      -7.303167     -1.719908      0.799038
  F      -7.513983     -3.031794      0.988138
  C      -6.581223     -0.963540      1.737379
  C      -5.895749     -1.526913      2.959372
  O      -5.733704     -2.737562      3.126697
  N      -5.477298     -0.519089      3.811528
  C      -4.351659     -0.670600      4.454391
  C      -6.451165      0.398944      1.465387
  C      -5.321545     10.677621     -1.245703
  C      -5.771750      9.597024     -0.285964
  O      -6.654394      8.803468     -0.603989
  C      -5.112178      9.516194      1.052167
  C      -4.013891     10.319574      1.403569
  C      -3.413493     10.183609      2.652087
  C      -3.908531      9.233298      3.541176
  F      -3.310085      9.135856      4.750371
  C      -5.008938      8.420851      3.238215
  C      -5.584846      7.372987      4.155635
  O      -6.810024      7.288791      4.291562
  N      -4.637781      6.557538      4.734778
  C      -5.020068      5.315587      4.961403
  C      -5.602557      8.593871      1.986546
  C     -11.237135     -0.901506      1.114105
  C     -10.419435     -1.006560      2.382471
  O     -10.316543     -2.074288      2.978106
  C      -9.735225      0.222833      2.892186
  C      -9.812570      1.462517      2.232899
  C      -9.166780      2.579916      2.750679
  C      -8.431570      2.448848      3.924185
  F      -7.863125      3.561892      4.435660
  C      -8.319123      1.232416      4.609880
  C      -7.660813      1.069165      5.940298
  O      -8.198663      0.389034      6.814121
  N      -6.458826      1.731299      6.176362
  C      -6.018762      1.836500      7.464254
  C      -8.998237      0.133210      4.077216
  H      -8.531724      3.057441     -0.983254
  H      -7.177117      4.229670     -1.007974
  H      -7.100434      2.711463     -1.965253
  H      -8.120431      0.646938     -1.493982
  H      -8.395677     -1.788379     -1.044893
  H      -3.737687     -1.579711      4.311391
  H      -5.918636      0.991177      2.203828
  H      -5.414356     11.674108     -0.788512
  H      -4.262023     10.542115     -1.512223
  H      -5.932272     10.628087     -2.153366
  H      -3.617240     11.055599      0.704034
  H      -2.566980     10.802524      2.950772
  H      -5.986821      4.957760      4.586013
  H      -6.467377      7.984169      1.721516
  H     -11.704434     -1.870362      0.908122
  H     -10.587622     -0.622358      0.270411
  H     -12.012399     -0.126195      1.202125
  H     -10.384513      1.562599      1.310553
  H      -9.225905      3.556170      2.269375
  H      -6.638264      1.572838      8.330653
  H      -8.951918     -0.822254      4.600646
  N      -4.953005      2.532284      3.627817
  H      -5.366280      2.864991      2.735248
88
Coordinates from ORCA-job orca E -6669.461988556565
  N      -3.830506      0.276158      5.262067
  Mo     -4.549146      2.276346      5.299445
  N      -4.795629      2.269720      7.451368
  C      -3.826110      2.658825      8.422585
  C      -2.463415      2.332318      7.781704
  N      -2.449640      2.440713      6.271053
  C      -1.673605      1.301117      5.701409
  C      -2.502607      0.030303      5.821453
  C      -1.937201      3.767904      5.827984
  C      -2.974999      4.839054      6.114663
  N      -4.271007      4.391285      5.596362
  H      -1.993990     -0.788502      5.287295
  H      -2.580555     -0.284628      6.876818
  H      -1.495352      1.526222      4.640563
  H      -0.698386      1.203149      6.208612
  H      -3.040084      5.047919      7.195621
  H      -2.686492      5.782117      5.626470
  H      -0.974180      3.989465      6.319246
  H      -1.768631      3.703102      4.743162
  H      -3.926461      2.126177      9.383296
  H      -3.919135      3.737546      8.628212
  H      -2.212979      1.294437      8.026288
  H      -1.664576      2.972808      8.185084
  C      -7.457874      3.121815     -1.010113
  C      -6.824233      2.446318      0.181018
  O      -6.194179      3.117664      1.004174
  C      -6.990216      0.976583      0.346463
  C      -7.689184      0.170391     -0.570356
  C      -7.839537     -1.191135     -0.327902
  C      -7.292093     -1.755941      0.826093
  F      -7.494183     -3.068389      1.019845
  C      -6.575403     -0.991576      1.761983
  C      -5.887453     -1.547239      2.985666
  O      -5.719443     -2.756111      3.157738
  N      -5.472454     -0.534775      3.834589
  C      -4.343469     -0.681447      4.472806
  C      -6.454031      0.371051      1.486206
  C      -5.351956     10.700185     -1.235251
  C      -5.799763      9.613224     -0.281587
  O      -6.691091      8.828936     -0.598355
  C      -5.131176      9.518214      1.051003
  C      -4.028837     10.316032      1.402638
  C      -3.421512     10.167898      2.646130
  C      -3.913072      9.211076      3.530287
  F      -3.307276      9.104015      4.734741
  C      -5.016576      8.402751      3.226807
  C      -5.590688      7.348242      4.137143
  O      -6.816610      7.251231      4.259400
  N      -4.641673      6.541107      4.725838
  C      -5.019568      5.299492      4.961735
  C      -5.617259      8.588465      1.980143
  C     -11.231626     -0.825144      1.073185
  C     -10.405671     -0.949452      2.334574
  O     -10.296292     -2.027330      2.910745
  C      -9.723182      0.272822      2.862267
  C      -9.797700      1.520175      2.217675
  C      -9.151435      2.630768      2.749558
  C      -8.419440      2.484494      3.923379
  F      -7.851391      3.591003      4.449793
  C      -8.310974      1.260248      4.595439
  C      -7.657079      1.083566      5.926420
  O      -8.200869      0.398738      6.793063
  N      -6.451697      1.736880      6.171293
  C      -6.017645      1.835039      7.461928
  C      -8.989762      0.168045      4.048392
  H      -8.552495      3.004900     -0.971929
  H      -7.207143      4.188170     -1.000570
  H      -7.118148      2.667202     -1.952561
  H      -8.125172      0.598506     -1.473625
  H      -8.385458     -1.836665     -1.016505
  H      -3.728061     -1.589418      4.329377
  H      -5.927141      0.969678      2.223770
  H      -5.434923     11.693048     -0.768572
  H      -4.295625     10.560929     -1.512537
  H      -5.971018     10.662348     -2.137754
  H      -3.634882     11.057602      0.707364
  H      -2.572236     10.782803      2.945433
  H      -5.984227      4.935894      4.586927
  H      -6.485331      7.983108      1.715815
  H     -11.699869     -1.790853      0.855554
  H     -10.587732     -0.533558      0.229428
  H     -12.006678     -0.051454      1.177011
  H     -10.367759      1.631526      1.295380
  H      -9.208277      3.612798      2.279797
  H      -6.646036      1.583960      8.325496
  H      -8.945885     -0.793658      4.560649
  N      -4.938642      2.520678      3.627844
  H      -5.347935      2.844488      2.730295
88
Coordinates from ORCA-job orca E -6669.462261011194
  N      -3.821907      0.277164      5.268419
  Mo     -4.537849      2.275657      5.295215
  N      -4.792322      2.255613      7.446827
  C      -3.828663      2.649401      8.422123
  C      -2.461663      2.332938      7.785218
  N      -2.442727      2.443038      6.274085
  C      -1.664611      1.303759      5.705697
  C      -2.492366      0.032074      5.825145
  C      -1.928007      3.770918      5.835387
  C      -2.967670      4.839253      6.126376
  N      -4.262290      4.388606      5.607311
  H      -1.983832     -0.785012      5.288359
  H      -2.569078     -0.284393      6.880091
  H      -1.484453      1.528716      4.645158
  H      -0.690239      1.206763      6.214739
  H      -3.032447      5.040970      7.208764
  H      -2.683061      5.785806      5.642760
  H      -0.965339      3.989315      6.328566
  H      -1.758916      3.709653      4.750384
  H      -3.927829      2.111893      9.380358
  H      -3.929306      3.726685      8.631885
  H      -2.204636      1.296605      8.029340
  H      -1.668464      2.977965      8.192451
  C      -7.472127      3.080102     -1.008465
  C      -6.820007      2.411049      0.176404
  O      -6.174957      3.085719      0.985295
  C      -6.990472      0.943633      0.355420
  C      -7.692980      0.130841     -0.552984
  C      -7.842923     -1.228754     -0.300446
  C      -7.292221     -1.785367      0.855747
  F      -7.490760     -3.096686      1.058611
  C      -6.574247     -1.013615      1.784515
  C      -5.885023     -1.560379      3.010787
  O      -5.717904     -2.767871      3.193035
  N      -5.470144     -0.541483      3.852904
  C      -4.339556     -0.685543      4.488420
  C      -6.452910      0.346921      1.498810
  C      -5.371959     10.737027     -1.220452
  C      -5.822184      9.646616     -0.271768
  O      -6.718180      8.868565     -0.590624
  C      -5.143434      9.534305      1.054357
  C      -4.036815     10.325742      1.406958
  C      -3.421806     10.162951      2.644601
  C      -3.908796      9.197573      3.522223
  F      -3.294876      9.079907      4.721332
  C      -5.015428      8.393572      3.217283
  C      -5.586948      7.329180      4.117341
  O      -6.813373      7.216460      4.223286
  N      -4.635945      6.532280      4.718015
  C      -5.009147      5.290453      4.960646
  C      -5.624193      8.595093      1.976569
  C     -11.246915     -0.781067      1.053667
  C     -10.398357     -0.919928      2.298470
  O     -10.266799     -2.007796      2.851041
  C      -9.716481      0.298031      2.835444
  C      -9.795367      1.550787      2.202212
  C      -9.149929      2.657942      2.741928
  C      -8.417008      2.502641      3.914007
  F      -7.854299      3.606542      4.451178
  C      -8.305025      1.273413      4.575742
  C      -7.654433      1.092016      5.907813
  O      -8.199324      0.400512      6.768531
  N      -6.448211      1.741520      6.158554
  C      -6.021262      1.840208      7.451601
  C      -8.980041      0.183638      4.019132
  H      -8.565370      2.955466     -0.959341
  H      -7.228122      4.148049     -1.003884
  H      -7.138577      2.625994     -1.953431
  H      -8.131192      0.551975     -1.458468
  H      -8.391391     -1.879078     -0.982475
  H      -3.725961     -1.595274      4.348375
  H      -5.925012      0.951566      2.230913
  H      -5.445312     11.727444     -0.746860
  H      -4.318371     10.592218     -1.504805
  H      -5.996419     10.709683     -2.119695
  H      -3.646147     11.074252      0.717270
  H      -2.569816     10.773363      2.945226
  H      -5.970054      4.920984      4.583415
  H      -6.495480      7.994328      1.712630
  H     -11.710792     -1.747090      0.828047
  H     -10.620579     -0.470520      0.203537
  H     -12.026626     -0.015876      1.183004
  H     -10.368638      1.668998      1.282739
  H      -9.209853      3.644019      2.281424
  H      -6.659021      1.603871      8.312366
  H      -8.934302     -0.782178      4.523225
  N      -4.920072      2.519184      3.621247
  H      -5.323382      2.832001      2.717183
88
Coordinates from ORCA-job orca E -6669.462498375290
  N      -3.803031      0.273164      5.273335
  Mo     -4.525725      2.267432      5.289876
  N      -4.785648      2.239928      7.441727
  C      -3.827747      2.641435      8.419496
  C      -2.456328      2.337083      7.786726
  N      -2.433946      2.446126      6.274370
  C      -1.650124      1.308213      5.710827
  C      -2.473249      0.033965      5.832761
  C      -1.922320      3.775082      5.835709
  C      -2.967042      4.838490      6.125355
  N      -4.259065      4.381283      5.604991
  H      -1.960708     -0.782363      5.298745
  H      -2.552379     -0.279743      6.888241
  H      -1.468060      1.530671      4.650073
  H      -0.676666      1.216150      6.222508
  H      -3.033603      5.038125      7.208041
  H      -2.688403      5.787389      5.642956
  H      -0.961302      3.996934      6.330495
  H      -1.751061      3.713818      4.751046
  H      -3.925166      2.102956      9.377430
  H      -3.937721      3.717830      8.629543
  H      -2.189883      1.303394      8.031608
  H      -1.669896      2.989529      8.194925
  C      -7.490217      3.025468     -1.003925
  C      -6.818138      2.362996      0.173273
  O      -6.160945      3.042560      0.968209
  C      -6.989134      0.897648      0.365967
  C      -7.702825      0.078549     -0.528066
  C      -7.852413     -1.278566     -0.263064
  C      -7.291156     -1.826605      0.892022
  F      -7.489722     -3.135440      1.108616
  C      -6.563191     -1.048243      1.807359
  C      -5.866415     -1.585552      3.033495
  O      -5.691430     -2.791051      3.221250
  N      -5.452772     -0.559499      3.868581
  C      -4.319098     -0.696134      4.500454
  C      -6.441301      0.309570      1.509078
  C      -5.387629     10.761092     -1.205714
  C      -5.835532      9.662661     -0.265157
  O      -6.732982      8.887986     -0.588098
  C      -5.157924      9.543052      1.060935
  C      -4.054745     10.336001      1.421065
  C      -3.440786     10.165729      2.658100
  C      -3.924587      9.191531      3.528064
  F      -3.311052      9.069234      4.726889
  C      -5.027758      8.385550      3.215752
  C      -5.597360      7.310542      4.104523
  O      -6.823876      7.183377      4.193787
  N      -4.644430      6.522632      4.713865
  C      -5.009392      5.278075      4.955784
  C      -5.635771      8.595282      1.975599
  C     -11.262996     -0.701867      1.021551
  C     -10.405208     -0.861918      2.257591
  O     -10.274886     -1.958073      2.794003
  C      -9.715728      0.345653      2.807110
  C      -9.785178      1.604459      2.184729
  C      -9.129733      2.701287      2.732755
  C      -8.398425      2.529567      3.903723
  F      -7.826250      3.623911      4.449841
  C      -8.296317      1.294049      4.555400
  C      -7.648657      1.099894      5.887255
  O      -8.204767      0.413628      6.745083
  N      -6.437871      1.737709      6.144973
  C      -6.016955      1.832026      7.440809
  C      -8.979721      0.214425      3.989552
  H      -8.581958      2.893660     -0.941382
  H      -7.252827      4.094860     -1.004297
  H      -7.165368      2.571686     -1.952052
  H      -8.149904      0.492843     -1.432432
  H      -8.409893     -1.933115     -0.933654
  H      -3.703323     -1.604994      4.364216
  H      -5.904860      0.919827      2.230278
  H      -5.461939     11.747935     -0.724674
  H      -4.334262     10.619858     -1.492367
  H      -6.013022     10.739919     -2.104576
  H      -3.666123     11.091276      0.737547
  H      -2.591758     10.777250      2.964623
  H      -5.966617      4.901486      4.576081
  H      -6.504393      7.992798      1.707156
  H     -11.731476     -1.663308      0.785667
  H     -10.642578     -0.381569      0.170651
  H     -12.039194      0.063694      1.168270
  H     -10.358779      1.735164      1.267139
  H      -9.180693      3.691568      2.280426
  H      -6.661516      1.603519      8.298602
  H      -8.941304     -0.756534      4.484124
  N      -4.906639      2.503199      3.614622
  H      -5.308156      2.802408      2.705672
88
Coordinates from ORCA-job orca E -6669.462703143397
  N      -3.787610      0.275914      5.272418
  Mo     -4.512326      2.268248      5.277298
  N      -4.782824      2.228397      7.429303
  C      -3.833280      2.638309      8.411623
  C      -2.455864      2.344377      7.787969
  N      -2.425140      2.450967      6.274659
  C      -1.637282      1.312801      5.717837
  C      -2.460088      0.038361      5.838474
  C      -1.912069      3.779379      5.837413
  C      -2.958680      4.841396      6.123475
  N      -4.247896      4.381069      5.599006
  H      -1.944551     -0.778421      5.308164
  H      -2.545279     -0.273268      6.894083
  H      -1.449422      1.533162      4.657639
  H      -0.666537      1.222485      6.234902
  H      -3.029407      5.040333      7.206025
  H      -2.681901      5.791444      5.642249
  H      -0.953342      4.002923      6.335960
  H      -1.736001      3.717369      4.753573
  H      -3.932349      2.100842      9.370020
  H      -3.953026      3.714151      8.619782
  H      -2.181108      1.313603      8.035863
  H      -1.677186      3.004507      8.198318
  C      -7.480985      2.972126     -1.021505
  C      -6.805750      2.316785      0.157839
  O      -6.122044      2.996557      0.930022
  C      -6.986561      0.855121      0.368275
  C      -7.716203      0.030798     -0.508169
  C      -7.870576     -1.322717     -0.227251
  C      -7.298272     -1.862010      0.926631
  F      -7.498904     -3.167753      1.158862
  C      -6.557355     -1.077509      1.826187
  C      -5.853366     -1.603903      3.052690
  O      -5.673606     -2.807278      3.249178
  N      -5.438961     -0.569525      3.877398
  C      -4.304170     -0.700112      4.508478
  C      -6.430328      0.276266      1.512029
  C      -5.398730     10.802537     -1.181242
  C      -5.846272      9.698089     -0.247834
  O      -6.746338      8.927699     -0.573953
  C      -5.165338      9.567349      1.075479
  C      -4.062163     10.358384      1.440392
  C      -3.445748     10.177365      2.674494
  C      -3.926240      9.194559      3.536960
  F      -3.309070      9.064092      4.732942
  C      -5.028786      8.389554      3.219507
  C      -5.596169      7.303469      4.096435
  O      -6.822265      7.162839      4.169496
  N      -4.641978      6.522792      4.712864
  C      -5.001240      5.275377      4.949902
  C      -5.639380      8.610807      1.982427
  C     -11.302100     -0.663404      1.018235
  C     -10.422464     -0.836976      2.237318
  O     -10.289723     -1.937364      2.764732
  C      -9.723803      0.364625      2.787121
  C      -9.788328      1.624565      2.166402
  C      -9.124764      2.716670      2.713222
  C      -8.393352      2.539602      3.883099
  F      -7.815703      3.630242      4.429736
  C      -8.294956      1.302828      4.532962
  C      -7.648768      1.107892      5.865466
  O      -8.208786      0.422983      6.722111
  N      -6.434876      1.738127      6.124742
  C      -6.017609      1.831149      7.421917
  C      -8.984252      0.227016      3.966712
  H      -8.573059      2.846958     -0.953092
  H      -7.236445      4.039966     -1.032951
  H      -7.163317      2.507661     -1.967289
  H      -8.170973      0.438111     -1.411916
  H      -8.440225     -1.980676     -0.884152
  H      -3.689029     -1.610547      4.380588
  H      -5.881572      0.891334      2.219388
  H      -5.470527     11.785938     -0.693041
  H      -4.346313     10.661843     -1.471433
  H      -6.026280     10.789079     -2.078703
  H      -3.675805     11.120250      0.762838
  H      -2.596815     10.787180      2.984892
  H      -5.954142      4.893607      4.565610
  H      -6.507656      8.008904      1.711580
  H     -11.774881     -1.622620      0.780763
  H     -10.697652     -0.334600      0.158945
  H     -12.074933      0.100478      1.187532
  H     -10.364795      1.759757      1.251245
  H      -9.170386      3.707927      2.262284
  H      -6.668485      1.610993      8.277145
  H      -8.949714     -0.745437      4.458803
  N      -4.889732      2.497348      3.600382
  H      -5.288743      2.782006      2.685660
88
Coordinates from ORCA-job orca E -6669.462890988646
  N      -3.779515      0.274182      5.278569
  Mo     -4.504726      2.266801      5.268883
  N      -4.781216      2.225249      7.420865
  C      -3.838260      2.646016      8.404846
  C      -2.456638      2.355767      7.789505
  N      -2.419972      2.452880      6.275014
  C      -1.630480      1.311575      5.728010
  C      -2.454774      0.038615      5.851986
  C      -1.905157      3.778323      5.832441
  C      -2.951594      4.842210      6.110615
  N      -4.239523      4.379722      5.584655
  H      -1.937652     -0.781555      5.328526
  H      -2.545341     -0.266961      6.908952
  H      -1.437781      1.526086      4.667432
  H      -0.661955      1.223470      6.249599
  H      -3.025891      5.047200      7.191829
  H      -2.673764      5.789903      5.625284
  H      -0.947920      4.005459      6.332533
  H      -1.725410      3.710447      4.749531
  H      -3.939422      2.115242      9.366831
  H      -3.964742      3.722728      8.605043
  H      -2.176072      1.328367      8.044996
  H      -1.683465      3.023575      8.197713
  C      -7.512206      2.920111     -1.014778
  C      -6.820251      2.271139      0.158370
  O      -6.136866      2.957559      0.925148
  C      -6.996972      0.810755      0.378920
  C      -7.732381     -0.020677     -0.485712
  C      -7.880123     -1.373029     -0.195743
  C      -7.296547     -1.903479      0.956550
  F      -7.489870     -3.208520      1.198535
  C      -6.552218     -1.110956      1.845738
  C      -5.840336     -1.626117      3.072021
  O      -5.653133     -2.827357      3.274980
  N      -5.429391     -0.584253      3.888890
  C      -4.295338     -0.708411      4.522741
  C      -6.430755      0.240906      1.522052
  C      -5.401660     10.846370     -1.160816
  C      -5.852895      9.737495     -0.234470
  O      -6.753228      8.970160     -0.566608
  C      -5.168562      9.593044      1.085608
  C      -4.064111     10.380248      1.455567
  C      -3.445544     10.187534      2.686631
  C      -3.924649      9.196972      3.540875
  F      -3.304459      9.055784      4.734036
  C      -5.027675      8.394551      3.217954
  C      -5.594107      7.299891      4.085568
  O      -6.819921      7.151978      4.149334
  N      -4.639230      6.521807      4.704590
  C      -4.995966      5.272624      4.937523
  C      -5.640265      8.627611      1.983971
  C     -11.312035     -0.617585      0.993522
  C     -10.418300     -0.807629      2.199742
  O     -10.272334     -1.916659      2.705222
  C      -9.716134      0.387661      2.759081
  C      -9.784569      1.654094      2.152675
  C      -9.120811      2.741196      2.709353
  C      -8.386270      2.552127      3.875725
  F      -7.812340      3.638530      4.435000
  C      -8.282564      1.308391      4.510874
  C      -7.635591      1.102172      5.841479
  O      -8.197237      0.412284      6.693295
  N      -6.426455      1.737098      6.108684
  C      -6.017131      1.832557      7.407904
  C      -8.971216      0.237467      3.933859
  H      -8.601905      2.781027     -0.940735
  H      -7.280402      3.990602     -1.026034
  H      -7.194245      2.461280     -1.963013
  H      -8.195889      0.380175     -1.387909
  H      -8.453692     -2.036202     -0.843711
  H      -3.679605     -1.619624      4.403678
  H      -5.877826      0.862208      2.220350
  H      -5.470979     11.826835     -0.666426
  H      -4.349249     10.704537     -1.451650
  H      -6.028971     10.840651     -2.058438
  H      -3.679301     11.148475      0.784678
  H      -2.595839     10.794311      3.001199
  H      -5.946612      4.888121      4.551545
  H      -6.509518      8.028132      1.710158
  H     -11.778231     -1.576026      0.742150
  H     -10.721114     -0.265727      0.134415
  H     -12.090230      0.135333      1.187912
  H     -10.365194      1.798617      1.241538
  H      -9.169474      3.737817      2.270208
  H      -6.673502      1.615641      8.259768
  H      -8.934174     -0.740660      4.414439
  N      -4.881120      2.483303      3.590285
  H      -5.280938      2.753946      2.671486
88
Coordinates from ORCA-job orca E -6669.463055677689
  N      -3.774860      0.270957      5.283467
  Mo     -4.498877      2.265239      5.256695
  N      -4.781097      2.225526      7.409067
  C      -3.843320      2.656775      8.393449
  C      -2.458354      2.366857      7.786166
  N      -2.415995      2.452863      6.271135
  C      -1.626325      1.307482      5.734748
  C      -2.453164      0.036873      5.864168
  C      -1.898519      3.774516      5.821457
  C      -2.943622      4.841893      6.089604
  N      -4.230896      4.378378      5.562613
  H      -1.935613     -0.788107      5.348721
  H      -2.548211     -0.261161      6.922990
  H      -1.429847      1.514633      4.673348
  H      -0.659545      1.221645      6.259927
  H      -3.021465      5.055325      7.168998
  H      -2.662794      5.785803      5.598610
  H      -0.942499      4.005097      6.322559
  H      -1.715340      3.699438      4.739556
  H      -3.947064      2.134748      9.359963
  H      -3.974389      3.734864      8.583488
  H      -2.173716      1.342752      8.050589
  H      -1.689786      3.041654      8.191496
  C      -7.497967      2.863616     -1.038391
  C      -6.806392      2.223084      0.139781
  O      -6.120244      2.914509      0.899661
  C      -6.992649      0.766804      0.377954
  C      -7.740044     -0.069132     -0.471791
  C      -7.894216     -1.417301     -0.166141
  C      -7.304414     -1.939054      0.987101
  F      -7.501377     -3.240740      1.243768
  C      -6.550095     -1.141426      1.862843
  C      -5.834227     -1.646629      3.090923
  O      -5.646520     -2.846388      3.303007
  N      -5.423864     -0.598049      3.899242
  C      -4.291558     -0.718241      4.537266
  C      -6.422409      0.206056      1.523503
  C      -5.408408     10.914665     -1.126680
  C      -5.856134      9.793118     -0.213920
  O      -6.763991      9.036060     -0.548999
  C      -5.168517      9.632119      1.102681
  C      -4.063042     10.414511      1.479722
  C      -3.441935     10.206576      2.707094
  C      -3.919441      9.205829      3.550277
  F      -3.297094      9.051150      4.740679
  C      -5.023363      8.407475      3.219955
  C      -5.589027      7.301980      4.074822
  O      -6.814548      7.148439      4.131083
  N      -4.633991      6.522902      4.692968
  C      -4.989886      5.272000      4.918800
  C      -5.638463      8.656039      1.990251
  C     -11.342467     -0.601682      0.999558
  C     -10.433254     -0.798290      2.193326
  O     -10.289918     -1.907716      2.698519
  C      -9.720931      0.393893      2.746775
  C      -9.784160      1.658843      2.136531
  C      -9.113994      2.744330      2.688517
  C      -8.379768      2.555670      3.855288
  F      -7.802565      3.641772      4.412013
  C      -8.279867      1.313318      4.493514
  C      -7.634317      1.108911      5.825267
  O      -8.196015      0.418225      6.676343
  N      -6.424786      1.742350      6.093054
  C      -6.019474      1.841617      7.392984
  C      -8.973613      0.243507      3.919906
  H      -8.587576      2.724040     -0.966187
  H      -7.266412      3.934014     -1.057108
  H      -7.177267      2.398363     -1.982545
  H      -8.208328      0.325408     -1.374371
  H      -8.477952     -2.083200     -0.802034
  H      -3.677026     -1.631548      4.428216
  H      -5.860201      0.831672      2.210285
  H      -5.473597     11.887995     -0.617615
  H      -4.357841     10.775675     -1.425211
  H      -6.040576     10.922961     -2.020897
  H      -3.679587     11.190787      0.817456
  H      -2.591444     10.809217      3.027330
  H      -5.939462      4.886917      4.530957
  H      -6.508638      8.060118      1.711676
  H     -11.811309     -1.558879      0.748545
  H     -10.765202     -0.242627      0.134246
  H     -12.118634      0.148903      1.210965
  H     -10.365282      1.803027      1.225752
  H      -9.157945      3.739776      2.246305
  H      -6.680611      1.632093      8.243073
  H      -8.940595     -0.733440      4.403115
  N      -4.874697      2.464752      3.576113
  H      -5.276503      2.718719      2.653510
88
Coordinates from ORCA-job orca E -6669.463209994180
  N      -3.766331      0.265613      5.286280
  Mo     -4.490256      2.262146      5.243192
  N      -4.779162      2.226279      7.395714
  C      -3.846329      2.668086      8.380254
  C      -2.458111      2.376604      7.781374
  N      -2.409437      2.451665      6.266501
  C      -1.619277      1.302524      5.740636
  C      -2.448307      0.034085      5.875513
  C      -1.889749      3.769613      5.809600
  C      -2.934314      4.840080      6.065777
  N      -4.220427      4.375370      5.536656
  H      -1.929784     -0.796220      5.369577
  H      -2.548015     -0.255460      6.936350
  H      -1.419194      1.502142      4.678425
  H      -0.654223      1.219301      6.269399
  H      -3.016727      5.063344      7.142902
  H      -2.649291      5.779512      5.568700
  H      -0.935399      4.003972      6.312196
  H      -1.702500      3.687324      4.728895
  H      -3.953158      2.155760      9.351566
  H      -3.980809      3.747711      8.558893
  H      -2.171277      1.355454      8.054938
  H      -1.693756      3.057186      8.184955
  C      -7.483790      2.798812     -1.062936
  C      -6.800394      2.170253      0.126428
  O      -6.105764      2.866129      0.874297
  C      -6.993159      0.717790      0.381359
  C      -7.752921     -0.122664     -0.452884
  C      -7.913528     -1.466220     -0.130722
  C      -7.316741     -1.979115      1.023223
  F      -7.518967     -3.276866      1.295607
  C      -6.550929     -1.176646      1.884325
  C      -5.830872     -1.670651      3.114818
  O      -5.640099     -2.868515      3.335309
  N      -5.416565     -0.614577      3.910867
  C      -4.284369     -0.730299      4.550709
  C      -6.416785      0.165898      1.528143
  C      -5.417999     10.974233     -1.092515
  C      -5.867289      9.846953     -0.187671
  O      -6.772161      9.089891     -0.530450
  C      -5.175247      9.671497      1.124945
  C      -4.070658     10.451892      1.508252
  C      -3.446228     10.231343      2.731899
  C      -3.919350      9.219683      3.564405
  F      -3.294636      9.053420      4.752047
  C      -5.022194      8.422545      3.227322
  C      -5.584223      7.306221      4.070497
  O      -6.809007      7.145869      4.122169
  N      -4.627557      6.524409      4.683231
  C      -4.981906      5.271386      4.898689
  C      -5.640846      8.684008      2.002166
  C     -11.362743     -0.575251      0.992753
  C     -10.451523     -0.777526      2.184417
  O     -10.312825     -1.887645      2.688936
  C      -9.727787      0.410219      2.733237
  C      -9.782220      1.674115      2.119159
  C      -9.103211      2.756118      2.666861
  C      -8.369261      2.565992      3.833561
  F      -7.784000      3.649710      4.386697
  C      -8.277126      1.324343      4.474875
  C      -7.631565      1.116893      5.806159
  O      -8.194948      0.427815      6.657203
  N      -6.420962      1.748441      6.075298
  C      -6.019653      1.849835      7.376233
  C      -8.979567      0.258116      3.905120
  H      -8.574447      2.664663     -0.994968
  H      -7.247285      3.867801     -1.094536
  H      -7.159445      2.319909     -1.999306
  H      -8.227224      0.265549     -1.355160
  H      -8.508474     -2.134732     -0.753419
  H      -3.672098     -1.646400      4.452866
  H      -5.844731      0.795444      2.203038
  H      -5.484210     11.944005     -0.576885
  H      -4.366917     10.837538     -1.389904
  H      -6.048625     10.988443     -1.987775
  H      -3.690480     11.236749      0.854057
  H      -2.596543     10.832226      3.057290
  H      -5.930681      4.886928      4.508000
  H      -6.510461      8.089726      1.718937
  H     -11.831466     -1.531379      0.736496
  H     -10.790367     -0.207461      0.127608
  H     -12.139203      0.172184      1.213207
  H     -10.362424      1.819506      1.208063
  H      -9.139791      3.750272      2.221233
  H      -6.685821      1.647171      8.224110
  H      -8.952625     -0.717666      4.391197
  N      -4.866855      2.442953      3.560956
  H      -5.273352      2.680138      2.636003
88
Coordinates from ORCA-job orca E -6669.463348282441
  N      -3.766701      0.262982      5.290907
  Mo     -4.484537      2.263427      5.232021
  N      -4.780593      2.234408      7.383552
  C      -3.851578      2.684822      8.368306
  C      -2.461036      2.386671      7.777777
  N      -2.405556      2.450746      6.263330
  C      -1.618052      1.295312      5.747746
  C      -2.452599      0.031222      5.887848
  C      -1.879445      3.763324      5.799049
  C      -2.920941      4.839076      6.044202
  N      -4.207028      4.375213      5.514466
  H      -1.935410     -0.805413      5.390961
  H      -2.557199     -0.249731      6.950592
  H      -1.413386      1.486851      4.684911
  H      -0.655194      1.211854      6.280503
  H      -3.005917      5.071738      7.119158
  H      -2.629887      5.773414      5.541042
  H      -0.925775      3.997572      6.302949
  H      -1.689309      3.673422      4.719416
  H      -3.962529      2.181181      9.343692
  H      -3.985865      3.766128      8.536454
  H      -2.177195      1.367194      8.060578
  H      -1.698071      3.069080      8.181093
  C      -7.490017      2.737278     -1.078150
  C      -6.807106      2.120567      0.117619
  O      -6.113103      2.823348      0.859549
  C      -6.998213      0.670118      0.383976
  C      -7.759380     -0.177809     -0.441634
  C      -7.919635     -1.518306     -0.106826
  C      -7.321520     -2.020650      1.051137
  F      -7.523426     -3.315936      1.335558
  C      -6.554711     -1.210332      1.903776
  C      -5.834138     -1.691040      3.138966
  O      -5.646902     -2.886778      3.373789
  N      -5.418090     -0.626468      3.922133
  C      -4.287595     -0.738594      4.565893
  C      -6.420114      0.128395      1.534324
  C      -5.432960     11.047423     -1.052472
  C      -5.878326      9.909534     -0.159080
  O      -6.792171      9.163390     -0.501697
  C      -5.175627      9.714262      1.145100
  C      -4.064892     10.485540      1.528805
  C      -3.430993     10.247436      2.744226
  C      -3.901300      9.227459      3.567913
  F      -3.267502      9.044007      4.748025
  C      -5.009975      8.438411      3.229950
  C      -5.569864      7.314745      4.064113
  O      -6.794576      7.155730      4.120234
  N      -4.612415      6.527188      4.669563
  C      -4.968126      5.273857      4.879672
  C      -5.637863      8.717368      2.013499
  C     -11.369808     -0.568488      0.983421
  C     -10.456308     -0.770209      2.173235
  O     -10.323919     -1.878158      2.684019
  C      -9.728630      0.417213      2.717708
  C      -9.780230      1.679502      2.100183
  C      -9.098143      2.761407      2.644229
  C      -8.363572      2.572862      3.810842
  F      -7.775441      3.656978      4.360218
  C      -8.274229      1.332980      4.455666
  C      -7.629420      1.125965      5.787356
  O      -8.191243      0.434397      6.637310
  N      -6.419845      1.760072      6.058621
  C      -6.023784      1.866138      7.360718
  C      -8.980024      0.266922      3.889395
  H      -8.580172      2.598334     -1.012694
  H      -7.258402      3.807095     -1.117400
  H      -7.159716      2.252681     -2.009605
  H      -8.235356      0.202454     -1.346367
  H      -8.515978     -2.192386     -0.722095
  H      -3.679143     -1.658455      4.480548
  H      -5.846677      0.763610      2.202657
  H      -5.490763     12.010246     -0.523115
  H      -4.384982     10.910771     -1.360970
  H      -6.071676     11.076291     -1.941521
  H      -3.687100     11.277180      0.881504
  H      -2.576228     10.840931      3.070062
  H      -5.917238      4.891991      4.487732
  H      -6.512400      8.130516      1.729821
  H     -11.837933     -1.524700      0.726967
  H     -10.802135     -0.196430      0.117305
  H     -12.147454      0.176775      1.208388
  H     -10.360705      1.824043      1.188984
  H      -9.133194      3.754391      2.195778
  H      -6.695492      1.672765      8.206338
  H      -8.955303     -0.707072      4.379321
  N      -4.861423      2.429698      3.548347
  H      -5.272518      2.654566      2.622017
88
Coordinates from ORCA-job orca E -6669.463471731732
  N      -3.766887      0.260072      5.294848
  Mo     -4.477559      2.264201      5.220197
  N      -4.781124      2.241258      7.370551
  C      -3.855383      2.699277      8.355346
  C      -2.462869      2.394739      7.772343
  N      -2.400806      2.449419      6.258441
  C      -1.616191      1.287732      5.752363
  C      -2.455966      0.027770      5.897908
  C      -1.867992      3.756917      5.787797
  C      -2.906632      4.837354      6.023345
  N      -4.192907      4.374200      5.493015
  H      -1.940328     -0.814671      5.409205
  H      -2.564994     -0.245167      6.962349
  H      -1.407599      1.471509      4.688934
  H      -0.655287      1.203962      6.288592
  H      -2.993249      5.077819      7.096518
  H      -2.610626      5.767483      5.515288
  H      -0.914697      3.989866      6.292915
  H      -1.675676      3.660307      4.709076
  H      -3.969865      2.202782      9.334009
  H      -3.989155      3.781960      8.514621
  H      -2.182883      1.376474      8.063136
  H      -1.700818      3.077836      8.176406
  C      -7.480370      2.674291     -1.102960
  C      -6.798940      2.069583      0.099940
  O      -6.106282      2.779130      0.836697
  C      -6.995010      0.622937      0.381913
  C      -7.759999     -0.231472     -0.433746
  C      -7.927139     -1.566627     -0.082143
  C      -7.332300     -2.057593      1.082324
  F      -7.542322     -3.347811      1.383206
  C      -6.561193     -1.240930      1.924851
  C      -5.843366     -1.709233      3.166420
  O      -5.661797     -2.902892      3.416239
  N      -5.422547     -0.636809      3.936082
  C      -4.292818     -0.747002      4.581854
  C      -6.419731      0.092374      1.538565
  C      -5.455084     11.115285     -1.010381
  C      -5.897960      9.970378     -0.124629
  O      -6.822181      9.235620     -0.463957
  C      -5.181688      9.755776      1.169246
  C      -4.062986     10.516864      1.549466
  C      -3.416883     10.261721      2.754968
  C      -3.883207      9.234703      3.572104
  F      -3.237361      9.035049      4.742864
  C      -4.999407      8.454637      3.237100
  C      -5.556188      7.324589      4.063901
  O      -6.780786      7.165122      4.123998
  N      -4.597172      6.530628      4.659245
  C      -4.953358      5.276661      4.862585
  C      -5.639411      8.750929      2.031030
  C     -11.375572     -0.562866      0.974377
  C     -10.469167     -0.760435      2.169972
  O     -10.345482     -1.865100      2.689996
  C      -9.735264      0.426405      2.706893
  C      -9.780610      1.685304      2.082009
  C      -9.091903      2.766611      2.618689
  C      -8.356662      2.581055      3.785356
  F      -7.761826      3.665559      4.326560
  C      -8.273737      1.344867      4.437767
  C      -7.629310      1.140315      5.769909
  O      -8.191923      0.451981      6.621708
  N      -6.419062      1.774351      6.041699
  C      -6.027819      1.884554      7.344776
  C      -8.986395      0.279283      3.878773
  H      -8.570323      2.533844     -1.038904
  H      -7.250760      3.744195     -1.152078
  H      -7.146356      2.181426     -2.028654
  H      -8.234122      0.139876     -1.343055
  H      -8.527065     -2.245355     -0.688724
  H      -3.689401     -1.671176      4.507599
  H      -5.842181      0.732433      2.198763
  H      -5.501710     12.072730     -0.470160
  H      -4.411174     10.975793     -1.331024
  H      -6.102910     11.157433     -1.892291
  H      -3.688157     11.314054      0.907297
  H      -2.555658     10.847176      3.078254
  H      -5.902909      4.898013      4.468494
  H      -6.520093      8.172236      1.749757
  H     -11.841108     -1.519971      0.717041
  H     -10.805930     -0.189006      0.110506
  H     -12.156355      0.180737      1.195531
  H     -10.361993      1.828244      1.171112
  H      -9.122830      3.756957      2.164392
  H      -6.705341      1.703659      8.188447
  H      -8.966426     -0.691149      4.375758
  N      -4.855027      2.414961      3.535037
  H      -5.271386      2.625507      2.607875
88
Coordinates from ORCA-job orca E -6669.463575048545
  N      -3.763793      0.257556      5.297698
  Mo     -4.469254      2.263505      5.206741
  N      -4.781100      2.248325      7.355502
  C      -3.859109      2.714008      8.340452
  C      -2.464500      2.404558      7.764964
  N      -2.395911      2.450477      6.251306
  C      -1.612273      1.283512      5.755182
  C      -2.455234      0.026431      5.906165
  C      -1.858048      3.753714      5.775046
  C      -2.895665      4.836929      6.001706
  N      -4.181406      4.372363      5.470343
  H      -1.939690     -0.820336      5.424866
  H      -2.568682     -0.239151      6.972006
  H      -1.399568      1.459920      4.691336
  H      -0.653512      1.200869      6.295387
  H      -2.984183      5.083692      7.073337
  H      -2.597237      5.764006      5.489575
  H      -0.905607      3.986307      6.281793
  H      -1.663172      3.650797      4.697346
  H      -3.976854      2.223652      9.321846
  H      -3.993245      3.797712      8.492028
  H      -2.188011      1.387454      8.062923
  H      -1.703344      3.088310      8.169660
  C      -7.483060      2.608387     -1.119759
  C      -6.797289      2.015052      0.086410
  O      -6.098786      2.730045      0.812358
  C      -6.998553      0.572708      0.385684
  C      -7.770958     -0.288024     -0.416566
  C      -7.943846     -1.617576     -0.047216
  C      -7.348736     -2.096624      1.122067
  F      -7.566256     -3.381251      1.440973
  C      -6.569673     -1.273586      1.950962
  C      -5.850104     -1.729210      3.196094
  O      -5.674462     -2.920302      3.461768
  N      -5.423892     -0.648641      3.951258
  C      -4.293821     -0.755545      4.596969
  C      -6.421882      0.053726      1.546665
  C      -5.464576     11.186333     -0.967390
  C      -5.908967     10.034209     -0.091767
  O      -6.837032      9.306410     -0.435561
  C      -5.184920      9.799742      1.194363
  C      -4.062082     10.552980      1.577583
  C      -3.409004     10.280261      2.775354
  C      -3.872277      9.243266      3.581683
  F      -3.219419      9.027501      4.745539
  C      -4.992304      8.469931      3.243329
  C      -5.546715      7.330510      4.058307
  O      -6.771172      7.169119      4.118966
  N      -4.586684      6.532022      4.645543
  C      -4.941564      5.276946      4.842847
  C      -5.639357      8.784141      2.045401
  C     -11.379696     -0.556485      0.961350
  C     -10.476366     -0.750845      2.159680
  O     -10.366004     -1.851099      2.692194
  C      -9.736488      0.435085      2.689780
  C      -9.776191      1.691013      2.058504
  C      -9.081275      2.771474      2.588659
  C      -8.345248      2.588241      3.755128
  F      -7.743582      3.672698      4.288579
  C      -8.268796      1.355360      4.414725
  C      -7.626680      1.154100      5.748329
  O      -8.191465      0.468879      6.601143
  N      -6.415817      1.787102      6.021824
  C      -6.030509      1.901601      7.326278
  C      -8.987543      0.290372      3.861999
  H      -8.572928      2.470070     -1.049258
  H      -7.252305      3.677427     -1.181176
  H      -7.153766      2.105260     -2.041672
  H      -8.245679      0.073797     -1.329360
  H      -8.548955     -2.301228     -0.643080
  H      -3.694574     -1.683224      4.533208
  H      -5.837186      0.698604      2.195910
  H      -5.506408     12.138485     -0.417512
  H      -4.422175     11.046497     -1.292479
  H      -6.115017     11.239496     -1.846804
  H      -3.689387     11.358026      0.943913
  H      -2.544581     10.859550      3.101126
  H      -5.891002      4.899953      4.446435
  H      -6.523220      8.211620      1.761698
  H     -11.846087     -1.513875      0.706247
  H     -10.809041     -0.184753      0.097251
  H     -12.160700      0.187977      1.179235
  H     -10.359141      1.833132      1.148529
  H      -9.108507      3.759671      2.129480
  H      -6.713831      1.733436      8.167830
  H      -8.972581     -0.676751      4.365444
  N      -4.845401      2.399448      3.519609
  H      -5.266005      2.596259      2.591624
88
Coordinates from ORCA-job orca E -6669.463669832363
  N      -3.768637      0.257140      5.300511
  Mo     -4.465007      2.265347      5.195192
  N      -4.781870      2.260604      7.342696
  C      -3.860675      2.730699      8.326528
  C      -2.465813      2.412818      7.756466
  N      -2.393013      2.449942      6.242737
  C      -1.613240      1.276485      5.755484
  C      -2.461893      0.024168      5.912449
  C      -1.848038      3.747894      5.760400
  C      -2.881524      4.836348      5.980564
  N      -4.168475      4.372631      5.450750
  H      -1.948926     -0.827392      5.436956
  H      -2.578860     -0.234443      6.979620
  H      -1.397228      1.445655      4.691152
  H      -0.656231      1.192815      6.298590
  H      -2.969421      5.089082      7.050852
  H      -2.580388      5.760045      5.463955
  H      -0.895208      3.978299      6.267360
  H      -1.652391      3.638097      4.683528
  H      -3.981769      2.246376      9.310561
  H      -3.992166      3.815622      8.471425
  H      -2.195077      1.396065      8.060918
  H      -1.702648      3.095066      8.159904
  C      -7.471215      2.546245     -1.149558
  C      -6.793691      1.966172      0.067703
  O      -6.097838      2.687964      0.789367
  C      -6.997750      0.527277      0.381413
  C      -7.767549     -0.341706     -0.414531
  C      -7.943820     -1.666603     -0.030518
  C      -7.354758     -2.132880      1.146933
  F      -7.574738     -3.413713      1.479234
  C      -6.577682     -1.301537      1.969301
  C      -5.863096     -1.744477      3.221526
  O      -5.690894     -2.932801      3.501535
  N      -5.433513     -0.656326      3.963980
  C      -4.303911     -0.760692      4.610741
  C      -6.426284      0.020863      1.550387
  C      -5.479976     11.256194     -0.921987
  C      -5.922842     10.096122     -0.056139
  O      -6.862074      9.381465     -0.397108
  C      -5.187207      9.841252      1.219464
  C      -4.056094     10.583366      1.600004
  C      -3.392615     10.292692      2.787642
  C      -3.853640      9.248916      3.586564
  F      -3.190021      9.016876      4.741072
  C      -4.981415      8.485650      3.250502
  C      -5.534421      7.339858      4.057585
  O      -6.759022      7.181142      4.123700
  N      -4.573781      6.535255      4.634557
  C      -4.929169      5.279690      4.827388
  C      -5.638701      8.818111      2.062952
  C     -11.384666     -0.561248      0.958819
  C     -10.494239     -0.746337      2.168067
  O     -10.393773     -1.841543      2.713188
  C      -9.745902      0.439436      2.686170
  C      -9.778614      1.689737      2.043793
  C      -9.077310      2.770788      2.564129
  C      -8.341081      2.593563      3.731454
  F      -7.732777      3.679395      4.254066
  C      -8.271010      1.366318      4.401970
  C      -7.630144      1.172680      5.737204
  O      -8.199337      0.497263      6.595043
  N      -6.417384      1.803233      6.008285
  C      -6.034481      1.925201      7.312759
  C      -8.996618      0.300571      3.859067
  H      -8.561398      2.408534     -1.084502
  H      -7.239968      3.614417     -1.221217
  H      -7.136157      2.033137     -2.063810
  H      -8.237157      0.009817     -1.333945
  H      -8.546349     -2.356841     -0.621383
  H      -3.709327     -1.692005      4.557097
  H      -5.841891      0.672047      2.193525
  H      -5.510855     12.201830     -0.360269
  H      -4.441640     11.114178     -1.259076
  H      -6.138824     11.323900     -1.794085
  H      -3.685199     11.393780      0.972256
  H      -2.521599     10.863187      3.111498
  H      -5.879657      4.905165      4.431237
  H      -6.528842      8.254189      1.781473
  H     -11.849284     -1.520327      0.707278
  H     -10.805315     -0.196880      0.097517
  H     -12.167814      0.185115      1.162575
  H     -10.362489      1.827986      1.133783
  H      -9.100051      3.755236      2.096717
  H      -6.721232      1.770878      8.154094
  H      -8.987201     -0.661703      4.371776
  N      -4.840582      2.389722      3.506560
  H      -5.264542      2.575356      2.578020
88
Coordinates from ORCA-job orca E -6669.463757042181
  N      -3.770793      0.253977      5.305920
  Mo     -4.458808      2.263662      5.181951
  N      -4.783325      2.272334      7.328225
  C      -3.864432      2.748503      8.311333
  C      -2.468526      2.422525      7.749014
  N      -2.389894      2.448036      6.235049
  C      -1.612639      1.268187      5.759656
  C      -2.466272      0.020149      5.922865
  C      -1.838521      3.740282      5.745303
  C      -2.868323      4.834048      5.955426
  N      -4.156015      4.370591      5.426249
  H      -1.954987     -0.836073      5.454021
  H      -2.587359     -0.231100      6.991302
  H      -1.392157      1.428788      4.694905
  H      -0.657953      1.185187      6.306911
  H      -2.957606      5.095114      7.023585
  H      -2.563951      5.753241      5.432812
  H      -0.886254      3.970842      6.253274
  H      -1.640189      3.621925      4.669834
  H      -3.990272      2.272587      9.298882
  H      -3.994264      3.834793      8.447255
  H      -2.202171      1.407170      8.061872
  H      -1.704428      3.105308      8.149650
  C      -7.456595      2.487258     -1.174019
  C      -6.782358      1.917457      0.049929
  O      -6.081784      2.643219      0.762944
  C      -6.997096      0.484285      0.382019
  C      -7.776164     -0.388134     -0.400897
  C      -7.962531     -1.706506      0.000331
  C      -7.374154     -2.162647      1.182153
  F      -7.605141     -3.436823      1.532208
  C      -6.588280     -1.327379      1.992130
  C      -5.875728     -1.759957      3.249051
  O      -5.710364     -2.945895      3.543087
  N      -5.439612     -0.665596      3.978714
  C      -4.310964     -0.768805      4.627370
  C      -6.426497     -0.011838      1.555876
  C      -5.496572     11.332337     -0.873812
  C      -5.937934     10.163067     -0.019524
  O      -6.885778      9.459784     -0.360176
  C      -5.190510      9.885441      1.244479
  C      -4.053051     10.617824      1.625094
  C      -3.380123     10.307699      2.802452
  C      -3.837917      9.254423      3.590894
  F      -3.164180      9.004024      4.735756
  C      -4.971025      8.499520      3.253921
  C      -5.522426      7.345044      4.050289
  O      -6.747030      7.185229      4.115554
  N      -4.561342      6.535557      4.618643
  C      -4.917416      5.279259      4.806206
  C      -5.637470      8.851493      2.077035
  C     -11.388317     -0.569441      0.954483
  C     -10.502009     -0.746894      2.168126
  O     -10.410612     -1.836572      2.725733
  C      -9.747796      0.439825      2.675585
  C      -9.773691      1.684169      2.021160
  C      -9.067575      2.766565      2.532015
  C      -8.333485      2.596950      3.701832
  F      -7.720118      3.684670      4.214292
  C      -8.270382      1.375860      4.384419
  C      -7.632838      1.191646      5.722552
  O      -8.206757      0.525322      6.584440
  N      -6.418169      1.818820      5.991720
  C      -6.038460      1.947400      7.296388
  C      -9.000714      0.308614      3.850705
  H      -8.547718      2.357480     -1.106915
  H      -7.218194      3.552822     -1.258639
  H      -7.125567      1.961065     -2.082284
  H      -8.245551     -0.044165     -1.323299
  H      -8.572649     -2.399081     -0.579977
  H      -3.721321     -1.703826      4.584441
  H      -5.834451      0.642825      2.188402
  H      -5.518417     12.270537     -0.299207
  H      -4.461916     11.190191     -1.221578
  H      -6.162496     11.414740     -1.739316
  H      -3.685133     11.436124      1.005830
  H      -2.504187     10.870333      3.126608
  H      -5.868505      4.906414      4.409855
  H      -6.532405      8.294996      1.796185
  H     -11.851996     -1.530381      0.707631
  H     -10.806464     -0.210200      0.092581
  H     -12.172546      0.177502      1.151295
  H     -10.355648      1.816577      1.109161
  H      -9.084455      3.746604      2.055180
  H      -6.729109      1.806173      8.136895
  H      -8.996580     -0.648762      4.372471
  N      -4.830008      2.373368      3.490869
  H      -5.255510      2.545827      2.560801
88
Coordinates from ORCA-job orca E -6669.463838462725
  N      -3.779941      0.250941      5.312899
  Mo     -4.456905      2.262258      5.171230
  N      -4.785238      2.290620      7.316019
  C      -3.865243      2.769540      8.296838
  C      -2.470585      2.431008      7.739554
  N      -2.389229      2.443967      6.224916
  C      -1.616880      1.256617      5.761014
  C      -2.476988      0.014409      5.932731
  C      -1.830475      3.729365      5.725716
  C      -2.853907      4.830423      5.927078
  N      -4.144522      4.369257      5.402512
  H      -1.969667     -0.847291      5.469744
  H      -2.600491     -0.228822      7.002685
  H      -1.393506      1.407613      4.695460
  H      -0.663739      1.173405      6.310919
  H      -2.941406      5.101061      6.992969
  H      -2.546051      5.743994      5.396799
  H      -0.877377      3.959139      6.232605
  H      -1.631710      3.601292      4.651450
  H      -3.995842      2.302502      9.288030
  H      -3.989645      3.857505      8.424303
  H      -2.211151      1.416369      8.060453
  H      -1.702302      3.112016      8.135030
  C      -7.426055      2.429889     -1.210903
  C      -6.766369      1.873044      0.026820
  O      -6.070809      2.605417      0.737767
  C      -6.990711      0.445023      0.375595
  C      -7.772024     -0.432054     -0.399555
  C      -7.968100     -1.744415      0.017013
  C      -7.386286     -2.189648      1.206224
  F      -7.625066     -3.458505      1.570662
  C      -6.597844     -1.349457      2.008610
  C      -5.891641     -1.772198      3.272240
  O      -5.735400     -2.955598      3.580815
  N      -5.451624     -0.672631      3.991705
  C      -4.324946     -0.775463      4.643646
  C      -6.426518     -0.040196      1.557242
  C      -5.516186     11.400918     -0.825132
  C      -5.958639     10.227085      0.022371
  O      -6.914682      9.534015     -0.316267
  C      -5.197091      9.927702      1.272833
  C      -4.051033     10.649200      1.649044
  C      -3.366205     10.320526      2.814293
  C      -3.820458      9.259720      3.594755
  F      -3.133768      8.991604      4.727869
  C      -4.961336      8.514753      3.261583
  C      -5.510908      7.353412      4.050181
  O      -6.735657      7.196581      4.120678
  N      -4.549273      6.536866      4.605959
  C      -4.907856      5.280575      4.789454
  C      -5.639384      8.885454      2.097197
  C     -11.397734     -0.580581      0.962628
  C     -10.513500     -0.749344      2.179308
  O     -10.437391     -1.830484      2.755527
  C      -9.751413      0.438254      2.672891
  C      -9.768273      1.674213      2.002794
  C      -9.056384      2.758536      2.501412
  C      -8.325537      2.599231      3.674713
  F      -7.706397      3.689690      4.174580
  C      -8.271537      1.386572      4.372980
  C      -7.638749      1.215374      5.715200
  O      -8.220041      0.562976      6.583115
  N      -6.420907      1.837231      5.980536
  C      -6.042880      1.975661      7.284690
  C      -9.007498      0.317300      3.851043
  H      -8.518642      2.309321     -1.150667
  H      -7.178717      3.492313     -1.308593
  H      -7.092332      1.888402     -2.109176
  H      -8.236487     -0.096047     -1.327349
  H      -8.580467     -2.440271     -0.556923
  H      -3.740023     -1.713802      4.610532
  H      -5.831820      0.618855      2.182654
  H      -5.528216     12.333913     -0.241937
  H      -4.485011     11.255833     -1.182140
  H      -6.188303     11.495147     -1.684537
  H      -3.686160     11.473350      1.035877
  H      -2.483290     10.874190      3.135157
  H      -5.861105      4.910710      4.395717
  H      -6.540619      8.337027      1.820467
  H     -11.865361     -1.542121      0.726062
  H     -10.813223     -0.233773      0.097567
  H     -12.179166      0.171639      1.150377
  H     -10.347200      1.798488      1.087719
  H      -9.065748      3.732557      2.012263
  H      -6.735702      1.847920      8.125544
  H      -9.010669     -0.633650      4.384566
  N      -4.823994      2.359115      3.477949
  H      -5.251767      2.520961      2.547247
88
Coordinates from ORCA-job orca E -6669.463918421757
  N      -3.785637      0.247076      5.319771
  Mo     -4.451430      2.259477      5.158811
  N      -4.787374      2.309247      7.301401
  C      -3.867473      2.790934      8.281061
  C      -2.473287      2.439614      7.731075
  N      -2.386957      2.439576      6.215943
  C      -1.618405      1.245047      5.764857
  C      -2.484807      0.008367      5.944081
  C      -1.820503      3.718066      5.707957
  C      -2.837987      4.826143      5.898830
  N      -4.130961      4.367254      5.377784
  H      -1.980909     -0.858772      5.487642
  H      -2.611582     -0.226685      7.015396
  H      -1.390704      1.386016      4.698849
  H      -0.667557      1.162270      6.318767
  H      -2.924887      5.106948      6.962173
  H      -2.525764      5.733659      5.360801
  H      -0.867345      3.947308      6.215042
  H      -1.619774      3.580394      4.635260
  H      -4.004372      2.333227      9.275752
  H      -3.986348      3.880547      8.399611
  H      -2.220924      1.425964      8.060544
  H      -1.701544      3.119126      8.122221
  C      -7.409477      2.372529     -1.234326
  C      -6.755919      1.826149      0.011225
  O      -6.054120      2.561395      0.712919
  C      -6.991287      0.404290      0.377435
  C      -7.781722     -0.474871     -0.385661
  C      -7.988044     -1.780695      0.046465
  C      -7.407788     -2.216462      1.239889
  F      -7.656222     -3.478865      1.619822
  C      -6.611148     -1.373300      2.031164
  C      -5.908688     -1.785984      3.299951
  O      -5.760820     -2.966567      3.622979
  N      -5.461034     -0.680803      4.006309
  C      -4.335455     -0.783202      4.660061
  C      -6.428817     -0.071390      1.563809
  C      -5.535749     11.472157     -0.775299
  C      -5.973750     10.287775      0.059988
  O      -6.938551      9.605893     -0.276216
  C      -5.201878      9.969307      1.299377
  C      -4.051237     10.683711      1.675509
  C      -3.357164     10.337838      2.830199
  C      -3.806649      9.267210      3.600082
  F      -3.110004      8.982964      4.723246
  C      -4.951950      8.528977      3.266970
  C      -5.498575      7.358387      4.044806
  O      -6.723327      7.201185      4.116957
  N      -4.536016      6.537056      4.590860
  C      -4.896166      5.280484      4.770614
  C      -5.639078      8.917061      2.113533
  C     -11.398806     -0.591522      0.959637
  C     -10.519133     -0.750661      2.181211
  O     -10.448897     -1.826013      2.768625
  C      -9.749796      0.437821      2.661703
  C      -9.757177      1.665563      1.976340
  C      -9.039913      2.751457      2.463683
  C      -8.313103      2.601987      3.640839
  F      -7.688130      3.694526      4.129033
  C      -8.268908      1.397675      4.354351
  C      -7.642626      1.239158      5.701356
  O      -8.232364      0.600856      6.574169
  N      -6.421490      1.854876      5.964395
  C      -6.047141      2.003396      7.268645
  C      -9.009754      0.326818      3.843105
  H      -8.503600      2.267795     -1.170534
  H      -7.148190      3.429916     -1.348276
  H      -7.084881      1.813144     -2.124890
  H      -8.245544     -0.145402     -1.316101
  H      -8.607577     -2.477887     -0.518086
  H      -3.755998     -1.725226      4.638014
  H      -5.827576      0.590651      2.179712
  H      -5.542665     12.397267     -0.179444
  H      -4.507427     11.330938     -1.141705
  H      -6.214192     11.578676     -1.628300
  H      -3.690150     11.515383      1.070328
  H      -2.470304     10.885204      3.150918
  H      -5.850951      4.912642      4.378816
  H      -6.543663      8.373698      1.837854
  H     -11.866585     -1.554832      0.730312
  H     -10.810645     -0.253588      0.093586
  H     -12.180291      0.162863      1.137935
  H     -10.332373      1.781603      1.057908
  H      -9.041209      3.719459      1.962604
  H      -6.743387      1.888967      8.108599
  H      -9.020832     -0.617766      4.387739
  N      -4.810311      2.344470      3.462601
  H      -5.238171      2.496572      2.530463
88
Coordinates from ORCA-job orca E -6669.463989849887
  N      -3.797219      0.242776      5.328663
  Mo     -4.447312      2.257747      5.148432
  N      -4.789658      2.331067      7.288609
  C      -3.868183      2.814523      8.266110
  C      -2.475564      2.446977      7.722951
  N      -2.384975      2.432515      6.207833
  C      -1.623395      1.228738      5.769842
  C      -2.499108     -0.000206      5.957642
  C      -1.807910      3.702138      5.689627
  C      -2.816596      4.819782      5.869924
  N      -4.113339      4.365553      5.354696
  H      -2.001054     -0.874748      5.509070
  H      -2.629291     -0.225349      7.030652
  H      -1.391646      1.358180      4.703269
  H      -0.674758      1.144546      6.327291
  H      -2.900434      5.112436      6.930404
  H      -2.497699      5.719605      5.322836
  H      -0.853549      3.928271      6.195832
  H      -1.606952      3.553716      4.618429
  H      -4.011339      2.366743      9.264420
  H      -3.978905      3.905995      8.375099
  H      -2.232393      1.434258      8.061977
  H      -1.699135      3.123584      8.109817
  C      -7.381965      2.318434     -1.265534
  C      -6.741391      1.784370     -0.007877
  O      -6.042199      2.524661      0.691028
  C      -6.986957      0.368280      0.373537
  C      -7.779940     -0.514369     -0.382786
  C      -7.995805     -1.814108      0.062797
  C      -7.422264     -2.240125      1.262867
  F      -7.679242     -3.496875      1.655483
  C      -6.623800     -1.392958      2.048143
  C      -5.929452     -1.795937      3.324404
  O      -5.790896     -2.973726      3.661422
  N      -5.475945     -0.686135      4.019860
  C      -4.353175     -0.790073      4.677922
  C      -6.431981     -0.097344      1.567397
  C      -5.565980     11.535227     -0.726040
  C      -6.000796     10.345486      0.103435
  O      -6.976433      9.675370     -0.224843
  C      -5.212556     10.007688      1.327362
  C      -4.052970     10.711828      1.695284
  C      -3.344396     10.348997      2.835813
  C      -3.788189      9.271494      3.599441
  F      -3.076594      8.971059      4.708922
  C      -4.941715      8.542589      3.274069
  C      -5.483830      7.365561      4.045324
  O      -6.708375      7.209012      4.124238
  N      -4.518939      6.538750      4.578872
  C      -4.880657      5.281984      4.755173
  C      -5.643191      8.947838      2.135101
  C     -11.397331     -0.602935      0.959675
  C     -10.524812     -0.751142      2.187776
  O     -10.463493     -1.819177      2.789248
  C      -9.750931      0.439066      2.656563
  C      -9.748176      1.657921      1.955357
  C      -9.026365      2.745598      2.431631
  C      -8.304911      2.606853      3.613323
  F      -7.673952      3.701366      4.089107
  C      -8.270902      1.411787      4.342623
  C      -7.649829      1.266350      5.693581
  O      -8.247284      0.643941      6.572567
  N      -6.424559      1.875699      5.952434
  C      -6.051824      2.034736      7.255999
  C      -9.016419      0.339081      3.842369
  H      -8.477528      2.226611     -1.205920
  H      -7.109084      3.371170     -1.393874
  H      -7.058868      1.742206     -2.145746
  H      -8.238384     -0.192181     -1.318405
  H      -8.617490     -2.513663     -0.496433
  H      -3.780478     -1.736395      4.667083
  H      -5.828776      0.568261      2.177616
  H      -5.562122     12.454752     -0.121475
  H      -4.542416     11.392803     -1.104957
  H      -6.253545     11.652948     -1.570219
  H      -3.696520     11.548930      1.094889
  H      -2.450384     10.888175      3.150459
  H      -5.838411      4.917359      4.367830
  H      -6.554352      8.411992      1.866490
  H     -11.867169     -1.567259      0.738977
  H     -10.803865     -0.276593      0.092865
  H     -12.177406      0.155761      1.125709
  H     -10.318929      1.765237      1.033102
  H      -9.019519      3.707017      1.918143
  H      -6.750762      1.934822      8.095527
  H      -9.035159     -0.598680      4.398462
  N      -4.800299      2.331346      3.450023
  H      -5.228630      2.473921      2.516804
88
Coordinates from ORCA-job orca E -6669.464057888584
  N      -3.808861      0.238108      5.337373
  Mo     -4.443408      2.256074      5.137197
  N      -4.791531      2.353441      7.274607
  C      -3.868364      2.839321      8.249383
  C      -2.477402      2.456153      7.712819
  N      -2.383533      2.426154      6.198072
  C      -1.629095      1.213045      5.773574
  C      -2.513831     -0.007980      5.971581
  C      -1.796602      3.686473      5.668188
  C      -2.796352      4.813782      5.837451
  N      -4.097421      4.364418      5.329964
  H      -2.021628     -0.890752      5.532830
  H      -2.647288     -0.221295      7.046619
  H      -1.394137      1.329915      4.706257
  H      -0.682308      1.128228      6.334030
  H      -2.875711      5.119934      6.894578
  H      -2.470174      5.704732      5.279991
  H      -0.840550      3.909803      6.172438
  H      -1.596560      3.526606      4.598479
  H      -4.017125      2.402080      9.251537
  H      -3.970771      3.932615      8.347806
  H      -2.242042      1.445184      8.062332
  H      -1.697165      3.131085      8.094989
  C      -7.351520      2.263836     -1.294937
  C      -6.722224      1.740631     -0.026939
  O      -6.022717      2.484454      0.667937
  C      -6.979975      0.330953      0.369548
  C      -7.777284     -0.554186     -0.379364
  C      -8.004462     -1.847154      0.080113
  C      -7.437906     -2.263924      1.286642
  F      -7.705321     -3.514258      1.692360
  C      -6.635741     -1.413875      2.065021
  C      -5.948850     -1.806927      3.348259
  O      -5.820720     -2.981595      3.699916
  N      -5.489964     -0.692374      4.032470
  C      -4.370128     -0.797233      4.695135
  C      -6.432698     -0.125267      1.570433
  C      -5.590060     11.597816     -0.676744
  C      -6.022468     10.401911      0.145186
  O      -7.005524      9.740827     -0.179075
  C      -5.222068     10.046516      1.356205
  C      -4.056517     10.742655      1.720274
  C      -3.337207     10.364256      2.848853
  C      -3.776124      9.278878      3.604051
  F      -3.054093      8.963980      4.702594
  C      -4.935054      8.556884      3.282013
  C      -5.472525      7.372068      4.044008
  O      -6.696722      7.214388      4.128156
  N      -4.504701      6.540992      4.566413
  C      -4.867540      5.283977      4.739673
  C      -5.647304      8.977959      2.155377
  C     -11.403375     -0.612602      0.965171
  C     -10.534521     -0.751406      2.196819
  O     -10.481809     -1.812071      2.812015
  C      -9.753167      0.439218      2.651764
  C      -9.738734      1.648243      1.933910
  C      -9.009728      2.736616      2.397316
  C      -8.292672      2.608392      3.582835
  F      -7.654254      3.704452      4.045045
  C      -8.270296      1.423454      4.328709
  C      -7.654562      1.291263      5.683508
  O      -8.259412      0.685098      6.568654
  N      -6.425381      1.894960      5.938514
  C      -6.055551      2.065258      7.241575
  C      -9.022786      0.349858      3.841000
  H      -8.448418      2.188931     -1.236503
  H      -7.063981      3.310666     -1.438612
  H      -7.034545      1.669358     -2.165059
  H      -8.230285     -0.239004     -1.319985
  H      -8.629810     -2.548055     -0.473261
  H      -3.803919     -1.747498      4.695866
  H      -5.826325      0.542781      2.174839
  H      -5.579909     12.511659     -0.063628
  H      -4.569386     11.456636     -1.063867
  H      -6.283482     11.725206     -1.514655
  H      -3.704108     11.586165      1.126555
  H      -2.438611     10.897306      3.160965
  H      -5.828855      4.922419      4.358305
  H      -6.562862      8.447842      1.890228
  H     -11.880349     -1.575863      0.755986
  H     -10.806687     -0.301336      0.095181
  H     -12.177849      0.154175      1.120971
  H     -10.306358      1.747202      1.008748
  H      -8.993776      3.690765      1.870635
  H      -6.757835      1.978769      8.079725
  H      -9.050698     -0.580165      4.409569
  N      -4.789640      2.318713      3.436750
  H      -5.217719      2.452799      2.502179
88
Coordinates from ORCA-job orca E -6669.464119626061
  N      -3.821979      0.231706      5.348654
  Mo     -4.438251      2.253271      5.127002
  N      -4.792597      2.376055      7.261472
  C      -3.867358      2.864990      8.232752
  C      -2.478063      2.465202      7.703552
  N      -2.380937      2.417445      6.189673
  C      -1.635446      1.193543      5.780090
  C      -2.531006     -0.017796      5.989733
  C      -1.782540      3.666856      5.646456
  C      -2.771733      4.805381      5.803478
  N      -4.077746      4.361809      5.305216
  H      -2.045531     -0.910388      5.563597
  H      -2.669160     -0.216427      7.067009
  H      -1.397278      1.296293      4.712044
  H      -0.690673      1.107466      6.343686
  H      -2.845186      5.126634      6.856661
  H      -2.437148      5.685967      5.234407
  H      -0.824306      3.886389      6.148156
  H      -1.584278      3.493825      4.578488
  H      -4.021625      2.439723      9.239194
  H      -3.960681      3.960126      8.318855
  H      -2.250321      1.456802      8.065331
  H      -1.694331      3.139059      8.080500
  C      -7.316574      2.211543     -1.324947
  C      -6.702453      1.700096     -0.044630
  O      -6.005031      2.447952      0.648001
  C      -6.973005      0.297011      0.366303
  C      -7.772929     -0.590813     -0.376849
  C      -8.011240     -1.877065      0.095482
  C      -7.453348     -2.284797      1.309115
  F      -7.730159     -3.529300      1.726206
  C      -6.649019     -1.432007      2.082164
  C      -5.970128     -1.816327      3.372310
  O      -5.851483     -2.988204      3.736436
  N      -5.505581     -0.698097      4.046651
  C      -4.389256     -0.805376      4.714794
  C      -6.435011     -0.149991      1.574838
  C      -5.625730     11.651549     -0.628227
  C      -6.053096     10.450819      0.189313
  O      -7.045338      9.799033     -0.125656
  C      -5.236756     10.079551      1.384903
  C      -4.064137     10.767982      1.740371
  C      -3.331251     10.375954      2.855455
  C      -3.763591      9.284314      3.605476
  F      -3.028825      8.957602      4.691884
  C      -4.928722      8.568641      3.291042
  C      -5.460128      7.377551      4.046763
  O      -6.683663      7.218028      4.137540
  N      -4.488198      6.542357      4.556160
  C      -4.851619      5.284929      4.726078
  C      -5.654605      9.003826      2.178382
  C     -11.405393     -0.614873      0.965305
  C     -10.541537     -0.745778      2.201162
  O     -10.498317     -1.799510      2.828985
  C      -9.753813      0.444696      2.645140
  C      -9.726781      1.644523      1.912290
  C      -8.991013      2.732709      2.365043
  C      -8.279712      2.613527      3.554874
  F      -7.633069      3.709719      4.004694
  C      -8.270137      1.438291      4.315982
  C      -7.659982      1.318017      5.674370
  O      -8.271873      0.727297      6.564950
  N      -6.426557      1.915403      5.925852
  C      -6.058599      2.096479      7.228179
  C      -9.029267      0.364611      3.838735
  H      -8.414771      2.152518     -1.271762
  H      -7.014799      3.252322     -1.482864
  H      -7.002483      1.599151     -2.183505
  H      -8.218895     -0.282940     -1.323238
  H      -8.638536     -2.579579     -0.453655
  H      -3.830852     -1.760187      4.727552
  H      -5.826561      0.520267      2.174806
  H      -5.605822     12.560340     -0.007752
  H      -4.609925     11.510574     -1.027770
  H      -6.328493     11.788211     -1.456849
  H      -3.717071     11.616753      1.150975
  H      -2.427265     10.903331      3.161486
  H      -5.817199      4.926579      4.352457
  H      -6.575301      8.479308      1.920174
  H     -11.891832     -1.575752      0.767179
  H     -10.804016     -0.320355      0.092677
  H     -12.172068      0.161962      1.109757
  H     -10.289976      1.736261      0.983698
  H      -8.965089      3.679899      1.826382
  H      -6.764268      2.024271      8.064823
  H      -9.066830     -0.558112      4.418459
  N      -4.778557      2.304055      3.424941
  H      -5.205223      2.428831      2.488546
88
Coordinates from ORCA-job orca E -6669.464176279394
  N      -3.834023      0.227246      5.357525
  Mo     -4.434793      2.251833      5.114396
  N      -4.793846      2.397512      7.246306
  C      -3.867299      2.892150      8.213321
  C      -2.479089      2.478826      7.691423
  N      -2.379743      2.412619      6.178636
  C      -1.642188      1.178814      5.783973
  C      -2.546979     -0.023445      6.005794
  C      -1.772119      3.651557      5.621505
  C      -2.752365      4.799722      5.766404
  N      -4.062856      4.360217      5.277224
  H      -2.066792     -0.925148      5.593069
  H      -2.690032     -0.206739      7.085154
  H      -1.401537      1.267842      4.715246
  H      -0.699122      1.092623      6.350355
  H      -2.820325      5.135552      6.815476
  H      -2.411156      5.670308      5.185849
  H      -0.811896      3.869067      6.120234
  H      -1.575917      3.465065      4.555437
  H      -4.025642      2.479767      9.224462
  H      -3.953816      3.988837      8.285791
  H      -2.256137      1.474046      8.066110
  H      -1.693305      3.153808      8.062047
  C      -7.292685      2.158226     -1.348252
  C      -6.686231      1.655981     -0.060621
  O      -5.986239      2.406270      0.626885
  C      -6.968024      0.259344      0.364067
  C      -7.772736     -0.630677     -0.371369
  C      -8.020997     -1.910124      0.114011
  C      -7.468528     -2.309083      1.333110
  F      -7.755517     -3.546903      1.763035
  C      -6.660262     -1.453636      2.098941
  C      -5.987280     -1.828045      3.394942
  O      -5.876694     -2.996658      3.771935
  N      -5.518596     -0.705162      4.058624
  C      -4.405652     -0.812488      4.732378
  C      -6.435984     -0.178712      1.578394
  C      -5.642254     11.715996     -0.576718
  C      -6.067057     10.506825      0.229574
  O      -7.063937      9.862130     -0.085236
  C      -5.242174     10.118204      1.413741
  C      -4.066144     10.800325      1.769781
  C      -3.326436     10.393322      2.874900
  C      -3.755388      9.293124      3.614335
  F      -3.014205      8.952909      4.692092
  C      -4.923326      8.582454      3.298413
  C      -5.451148      7.382740      4.042793
  O      -6.674223      7.221093      4.136334
  N      -4.476350      6.543773      4.541257
  C      -4.840515      5.285981      4.708163
  C      -5.655970      9.032748      2.196117
  C     -11.410706     -0.626946      0.970261
  C     -10.550579     -0.747756      2.209633
  O     -10.515931     -1.793450      2.851365
  C      -9.755645      0.443001      2.639755
  C      -9.717975      1.632625      1.890975
  C      -8.975379      2.721332      2.331034
  C      -8.267690      2.612886      3.524092
  F      -7.613943      3.710398      3.959996
  C      -8.268661      1.447977      4.301075
  C      -7.662946      1.340791      5.662490
  O      -8.280216      0.763904      6.558372
  N      -6.426830      1.934421      5.910660
  C      -6.061471      2.126419      7.212237
  C      -9.034655      0.373607      3.836234
  H      -8.391589      2.112997     -1.295103
  H      -6.979004      3.193422     -1.518700
  H      -6.985249      1.531225     -2.198552
  H      -8.214482     -0.329839     -1.322008
  H      -8.652043     -2.613927     -0.429171
  H      -3.853688     -1.770812      4.757536
  H      -5.824211      0.493409      2.172893
  H      -5.617498     12.617387      0.054375
  H      -4.628954     11.578526     -0.983662
  H      -6.349768     11.863653     -1.399391
  H      -3.721840     11.656133      1.188976
  H      -2.419786     10.915715      3.181599
  H      -5.809916      4.930286      4.342005
  H      -6.579161      8.512842      1.937517
  H     -11.907143     -1.585359      0.785571
  H     -10.804871     -0.351925      0.094283
  H     -12.168851      0.160526      1.101642
  H     -10.278146      1.715956      0.959775
  H      -8.941010      3.660893      1.779636
  H      -6.770565      2.067786      8.047068
  H      -9.080526     -0.540942      4.428149
  N      -4.769786      2.289542      3.410970
  H      -5.194683      2.404771      2.472489
88
Coordinates from ORCA-job orca E -6669.464234199099
  N      -3.845983      0.221955      5.367882
  Mo     -4.429167      2.249438      5.102636
  N      -4.794318      2.416810      7.231844
  C      -3.867098      2.918014      8.194742
  C      -2.479504      2.491329      7.681497
  N      -2.377070      2.405752      6.170174
  C      -1.648551      1.161311      5.791299
  C      -2.563836     -0.030597      6.024940
  C      -1.758750      3.633254      5.599037
  C      -2.729133      4.791671      5.730916
  N      -4.044303      4.356725      5.250995
  H      -2.089190     -0.941779      5.626935
  H      -2.713569     -0.197457      7.106050
  H      -1.404786      1.236491      4.722197
  H      -0.707688      1.074132      6.361147
  H      -2.791413      5.141926      6.775668
  H      -2.381341      5.651881      5.138867
  H      -0.796691      3.848042      6.095327
  H      -1.564321      3.432449      4.535273
  H      -4.029823      2.519358      9.210652
  H      -3.947105      4.016066      8.252527
  H      -2.261090      1.490708      8.069867
  H      -1.692099      3.167877      8.045720
  C      -7.256576      2.107247     -1.375147
  C      -6.663372      1.614803     -0.077547
  O      -5.961309      2.366982      0.605734
  C      -6.959935      0.225677      0.361659
  C      -7.769131     -0.665773     -0.367121
  C      -8.030273     -1.937489      0.131589
  C      -7.486227     -2.327671      1.357403
  F      -7.785192     -3.558305      1.799706
  C      -6.673624     -1.470686      2.116785
  C      -6.007900     -1.836636      3.418925
  O      -5.907619     -3.002091      3.808386
  N      -5.532783     -0.710314      4.072302
  C      -4.423158     -0.819598      4.751510
  C      -6.436543     -0.203482      1.582966
  C      -5.675687     11.770437     -0.524801
  C      -6.093333     10.553702      0.273748
  O      -7.096736      9.915770     -0.034246
  C      -5.254172     10.149876      1.442662
  C      -4.072791     10.826000      1.792338
  C      -3.321423     10.405782      2.884586
  C      -3.743980      9.298589      3.617439
  F      -2.991631      8.947057      4.683666
  C      -4.916463      8.592874      3.306751
  C      -5.439011      7.386448      4.044079
  O      -6.661392      7.223871      4.144204
  N      -4.460440      6.543600      4.528839
  C      -4.825712      5.285662      4.693121
  C      -5.660544      9.056575      2.217800
  C     -11.419130     -0.630525      0.973727
  C     -10.561157     -0.743351      2.215327
  O     -10.534863     -1.781767      2.869229
  C      -9.757518      0.446265      2.632200
  C      -9.708205      1.625739      1.868325
  C      -8.957589      2.713744      2.296295
  C      -8.253535      2.614717      3.492345
  F      -7.591077      3.712138      3.914642
  C      -8.266444      1.460194      4.284578
  C      -7.665587      1.365458      5.648996
  O      -8.289024      0.802563      6.549571
  N      -6.426587      1.954241      5.894755
  C      -6.064079      2.156730      7.195709
  C      -9.040207      0.386275      3.831456
  H      -8.356248      2.076346     -1.326910
  H      -6.929408      3.136300     -1.557387
  H      -6.953031      1.465124     -2.215444
  H      -8.204243     -0.372208     -1.323105
  H      -8.664747     -2.642102     -0.406566
  H      -3.879420     -1.782222      4.789301
  H      -5.821289      0.469642      2.172732
  H      -5.641101     12.664761      0.115878
  H      -4.667901     11.635630     -0.945954
  H      -6.393219     11.928849     -1.336729
  H      -3.733498     11.687461      1.216949
  H      -2.410468     10.923405      3.186573
  H      -5.799383      4.933192      4.335220
  H      -6.587633      8.541209      1.964107
  H     -11.927286     -1.585306      0.802567
  H     -10.808877     -0.376459      0.094364
  H     -12.167049      0.168641      1.092062
  H     -10.265146      1.701729      0.934567
  H      -8.913811      3.645736      1.732911
  H      -6.777136      2.113730      8.028142
  H      -9.095451     -0.519907      4.435281
  N      -4.757481      2.273876      3.397787
  H      -5.178311      2.379405      2.456412
88
Coordinates from ORCA-job orca E -6669.464299441835
  N      -3.858548      0.217628      5.377748
  Mo     -4.425958      2.247311      5.090187
  N      -4.794832      2.435166      7.217470
  C      -3.866519      2.945047      8.174747
  C      -2.479547      2.505964      7.669761
  N      -2.375319      2.400218      6.160294
  C      -1.656086      1.145417      5.797252
  C      -2.581443     -0.035583      6.043654
  C      -1.747019      3.615865      5.574245
  C      -2.707935      4.783721      5.692933
  N      -4.027869      4.352545      5.223320
  H      -2.112083     -0.956121      5.661242
  H      -2.737928     -0.185010      7.126356
  H      -1.410009      1.206938      4.727784
  H      -0.717086      1.057328      6.370000
  H      -2.764094      5.148208      6.733208
  H      -2.355235      5.633594      5.089022
  H      -0.783185      3.828758      6.067781
  H      -1.554653      3.399960      4.513106
  H      -4.032206      2.561744      9.196028
  H      -3.941023      4.044217      8.215922
  H      -2.264275      1.510162      8.072238
  H      -1.690919      3.185093      8.026348
  C      -7.230470      2.055851     -1.397215
  C      -6.646025      1.572332     -0.092371
  O      -5.940819      2.326273      0.585674
  C      -6.954438      0.190101      0.360228
  C      -7.767311     -0.703322     -0.361913
  C      -8.038844     -1.967865      0.149256
  C      -7.501740     -2.349058      1.381072
  F      -7.810950     -3.572865      1.835164
  C      -6.685748     -1.489754      2.134136
  C      -6.026410     -1.846660      3.442038
  O      -5.934056     -3.008850      3.843043
  N      -5.546551     -0.716587      4.085619
  C      -4.440121     -0.826305      4.770352
  C      -6.438072     -0.229943      1.587704
  C      -5.703019     11.827205     -0.470113
  C      -6.113037     10.600749      0.317314
  O      -7.120256      9.967472      0.012090
  C      -5.262292     10.182008      1.472423
  C      -4.076818     10.852890      1.818471
  C      -3.316046     10.419460      2.899008
  C      -3.733235      9.304865      3.623836
  F      -2.971757      8.941777      4.679654
  C      -4.909242      8.603748      3.315947
  C      -5.427361      7.390434      4.045700
  O      -6.649051      7.228336      4.153645
  N      -4.445714      6.542728      4.515348
  C      -4.812632      5.284919      4.677430
  C      -5.662389      9.080494      2.239049
  C     -11.424176     -0.638119      0.976684
  C     -10.569956     -0.740373      2.221830
  O     -10.552602     -1.770118      2.889577
  C      -9.758117      0.448687      2.624307
  C      -9.697075      1.616681      1.843925
  C      -8.938700      2.704391      2.258771
  C      -8.238542      2.616659      3.458072
  F      -7.567185      3.714235      3.865219
  C      -8.263832      1.473810      4.267032
  C      -7.668705      1.392546      5.634797
  O      -8.299059      0.844234      6.539698
  N      -6.426906      1.975834      5.878897
  C      -6.067134      2.188774      7.179147
  C      -9.045236      0.400066      3.826647
  H      -8.330570      2.034342     -1.352210
  H      -6.894191      3.080174     -1.589015
  H      -6.929970      1.402320     -2.229764
  H      -8.197090     -0.417198     -1.322601
  H      -8.675991     -2.673985     -0.383799
  H      -3.903571     -1.792400      4.820620
  H      -5.820416      0.444713      2.173217
  H      -5.658849     12.712789      0.182029
  H      -4.700880     11.696661     -0.905788
  H      -6.430204     11.997758     -1.270942
  H      -3.741619     11.720231      1.249518
  H      -2.401641     10.932629      3.198142
  H      -5.791060      4.936460      4.328740
  H      -6.592537      8.569377      1.987944
  H     -11.944599     -1.588981      0.821021
  H     -10.807115     -0.409215      0.094926
  H     -12.161000      0.173526      1.076886
  H     -10.250038      1.683931      0.907134
  H      -8.885424      3.627815      1.682260
  H      -6.784006      2.163489      8.009073
  H      -9.110063     -0.496372      4.443905
  N      -4.749391      2.256854      3.384430
  H      -5.165302      2.352687      2.439876
88
Coordinates from ORCA-job orca E -6669.464372136375
  N      -3.870514      0.214480      5.387020
  Mo     -4.422391      2.245459      5.077864
  N      -4.795172      2.449075      7.204091
  C      -3.866688      2.969503      8.155698
  C      -2.479844      2.519413      7.659787
  N      -2.372974      2.394170      6.152380
  C      -1.663177      1.129417      5.804920
  C      -2.598858     -0.040455      6.062060
  C      -1.734000      3.597769      5.552730
  C      -2.685210      4.774549      5.658910
  N      -4.010368      4.347362      5.200333
  H      -2.134858     -0.969480      5.693921
  H      -2.762485     -0.174231      7.145773
  H      -1.413989      1.178521      4.735506
  H      -0.726490      1.039578      6.381186
  H      -2.734952      5.152257      6.694865
  H      -2.329091      5.614608      5.043523
  H      -0.768783      3.808468      6.044402
  H      -1.542964      3.367283      4.494461
  H      -4.035038      2.602082      9.182323
  H      -3.937347      4.069412      8.179602
  H      -2.267106      1.528548      8.075757
  H      -1.690523      3.201492      8.008967
  C      -7.196240      2.009509     -1.421364
  C      -6.622438      1.534230     -0.108855
  O      -5.912484      2.288452      0.563807
  C      -6.945608      0.159854      0.357377
  C      -7.762731     -0.734200     -0.358865
  C      -8.046973     -1.991040      0.164378
  C      -7.518208     -2.363866      1.402426
  F      -7.839381     -3.580384      1.867644
  C      -6.698380     -1.503380      2.150056
  C      -6.046904     -1.852457      3.464034
  O      -5.964953     -3.011352      3.876600
  N      -5.560559     -0.719745      4.098275
  C      -4.457190     -0.831158      4.788100
  C      -6.438049     -0.251473      1.591530
  C      -5.739353     11.873321     -0.416634
  C      -6.138011     10.637328      0.361548
  O      -7.148272     10.006295      0.061597
  C      -5.273154     10.206969      1.501649
  C      -4.082487     10.873284      1.839180
  C      -3.309606     10.428915      2.906633
  C      -3.719844      9.308785      3.627035
  F      -2.946166      8.935893      4.670580
  C      -4.900559      8.612241      3.327232
  C      -5.413209      7.394178      4.053842
  O      -6.634030      7.234546      4.173786
  N      -4.428428      6.541246      4.506303
  C      -4.797969      5.283971      4.667570
  C      -5.665295      9.099470      2.263523
  C     -11.435240     -0.644148      0.984046
  C     -10.579668     -0.736838      2.229161
  O     -10.566567     -1.759204      2.908124
  C      -9.759462      0.451701      2.616131
  C      -9.687159      1.607312      1.818555
  C      -8.920422      2.694563      2.219093
  C      -8.223612      2.619151      3.421239
  F      -7.542691      3.716568      3.812225
  C      -8.261423      1.489204      4.247759
  C      -7.672500      1.422497      5.619016
  O      -8.311102      0.890375      6.528049
  N      -6.427623      1.998819      5.861987
  C      -6.070807      2.221488      7.161673
  C      -9.050520      0.415565      3.821064
  H      -8.296711      1.996139     -1.382323
  H      -6.850956      3.029295     -1.621136
  H      -6.896627      1.345844     -2.246218
  H      -8.185914     -0.454993     -1.324544
  H      -8.687250     -2.697809     -0.364081
  H      -3.928645     -1.800954      4.850195
  H      -5.817716      0.423877      2.173430
  H      -5.681345     12.750138      0.246110
  H      -4.745612     11.746580     -0.872357
  H      -6.480002     12.055817     -1.202365
  H      -3.752582     11.744881      1.273654
  H      -2.390662     10.937937      3.198927
  H      -5.781761      4.940737      4.328944
  H      -6.599332      8.592270      2.018821
  H     -11.967546     -1.591039      0.845035
  H     -10.813963     -0.440500      0.098823
  H     -12.161079      0.178881      1.067756
  H     -10.236457      1.665087      0.878960
  H      -8.857678      3.608731      1.628961
  H      -6.791899      2.217403      7.988333
  H      -9.124784     -0.470101      4.452679
  N      -4.738511      2.241064      3.370843
  H      -5.145799      2.328462      2.421810
88
Coordinates from ORCA-job orca E -6669.464450019016
  N      -3.882327      0.211676      5.395585
  Mo     -4.419540      2.243159      5.066381
  N      -4.794864      2.463205      7.191598
  C      -3.865258      2.993556      8.136980
  C      -2.479674      2.530841      7.649429
  N      -2.370484      2.387462      6.143906
  C      -1.669764      1.113572      5.811576
  C      -2.615258     -0.045834      6.078228
  C      -1.721289      3.579046      5.531437
  C      -2.662699      4.764420      5.625623
  N      -3.993723      4.341559      5.179213
  H      -2.157291     -0.982410      5.721859
  H      -2.784009     -0.166380      7.162735
  H      -1.417484      1.150373      4.742389
  H      -0.735320      1.022200      6.391258
  H      -2.705276      5.156164      6.656779
  H      -2.303748      5.594213      4.998122
  H      -0.754605      3.787438      6.021170
  H      -1.531678      3.334942      4.475997
  H      -4.036220      2.642101      9.168732
  H      -3.931382      4.093933      8.144209
  H      -2.271738      1.543989      8.077288
  H      -1.688112      3.213710      7.991847
  C      -7.169119      1.960661     -1.443464
  C      -6.603857      1.494846     -0.123937
  O      -5.890357      2.250482      0.543334
  C      -6.939442      0.128052      0.355546
  C      -7.760307     -0.767104     -0.354749
  C      -8.055974     -2.016382      0.180297
  C      -7.534870     -2.380151      1.424249
  F      -7.866349     -3.589714      1.900146
  C      -6.711876     -1.517841      2.166482
  C      -6.068413     -1.858118      3.486682
  O      -5.997306     -3.013185      3.911726
  N      -5.575149     -0.722845      4.110926
  C      -4.474652     -0.835581      4.805179
  C      -6.440060     -0.273875      1.596078
  C      -5.776951     11.913664     -0.363528
  C      -6.163985     10.668543      0.405903
  O      -7.175864     10.038147      0.110221
  C      -5.286028     10.228755      1.532196
  C      -4.090218     10.890987      1.859938
  C      -3.305022     10.437411      2.914401
  C      -3.708235      9.312777      3.631684
  F      -2.922105      8.930917      4.662723
  C      -4.893858      8.620576      3.341836
  C      -5.399938      7.398812      4.067408
  O      -6.619564      7.242514      4.203534
  N      -4.412067      6.539928      4.500483
  C      -4.784392      5.283237      4.660783
  C      -5.670541      9.116439      2.290963
  C     -11.438431     -0.647117      0.986574
  C     -10.584589     -0.728786      2.233707
  O     -10.577614     -1.742608      2.925290
  C      -9.756923      0.459432      2.605676
  C      -9.671206      1.601360      1.789912
  C      -8.895916      2.687752      2.176134
  C      -8.204299      2.625762      3.382066
  F      -7.512837      3.722434      3.756544
  C      -8.257447      1.510423      4.227505
  C      -7.677388      1.458827      5.603298
  O      -8.327185      0.946168      6.515756
  N      -6.428048      2.024623      5.846068
  C      -6.074035      2.256953      7.145083
  C      -9.054316      0.437250      3.814416
  H      -8.269816      1.953018     -1.409802
  H      -6.817273      2.976519     -1.651263
  H      -6.869304      1.287810     -2.260813
  H      -8.177598     -0.494828     -1.324965
  H      -8.699023     -2.724187     -0.343387
  H      -3.953675     -1.808649      4.878533
  H      -5.817512      0.402990      2.173924
  H      -5.705665     12.782278      0.308546
  H      -4.791660     11.790869     -0.838486
  H      -6.530494     12.106564     -1.134384
  H      -3.765794     11.766042      1.296612
  H      -2.381541     10.942680      3.198851
  H      -5.773984      4.946015      4.333061
  H      -6.608418      8.612688      2.053807
  H     -11.980704     -1.590519      0.863106
  H     -10.811571     -0.467667      0.099914
  H     -12.154980      0.185432      1.052103
  H     -10.215504      1.648846      0.846807
  H      -8.822096      3.591554      1.571471
  H      -6.799021      2.276528      7.968097
  H      -9.139581     -0.436587      4.460989
  N      -4.728669      2.224687      3.358043
  H      -5.128570      2.304072      2.405264
88
Coordinates from ORCA-job orca E -6669.464539312343
  N      -3.892275      0.211483      5.400887
  Mo     -4.417983      2.241796      5.055144
  N      -4.794499      2.473932      7.180337
  C      -3.863401      3.013831      8.119572
  C      -2.479983      2.538792      7.638941
  N      -2.368441      2.381398      6.134696
  C      -1.675083      1.100511      5.815778
  C      -2.629054     -0.050293      6.088987
  C      -1.710067      3.562501      5.512519
  C      -2.642218      4.755062      5.597552
  N      -3.979749      4.336812      5.165454
  H      -2.177339     -0.992576      5.739790
  H      -2.800722     -0.162625      7.173950
  H      -1.419106      1.126624      4.747149
  H      -0.742993      1.007786      6.399041
  H      -2.676249      5.160251      6.623943
  H      -2.282609      5.575348      4.957989
  H      -0.742085      3.768364      6.000821
  H      -1.521314      3.307936      4.459423
  H      -4.036245      2.676759      9.155813
  H      -3.925973      4.114336      8.112348
  H      -2.278759      1.554089      8.074870
  H      -1.684876      3.219953      7.976478
  C      -7.138769      1.915367     -1.468766
  C      -6.582951      1.459815     -0.141658
  O      -5.866235      2.216872      0.520449
  C      -6.931372      0.100948      0.350912
  C      -7.756008     -0.794751     -0.354046
  C      -8.063492     -2.036504      0.192069
  C      -7.550159     -2.391564      1.441612
  F      -7.891919     -3.594234      1.927383
  C      -6.724409     -1.527738      2.179336
  C      -6.089962     -1.859586      3.506013
  O      -6.031045     -3.010551      3.943697
  N      -5.589026     -0.722696      4.120971
  C      -4.490506     -0.836905      4.817770
  C      -6.440865     -0.291694      1.597904
  C      -5.812280     11.940460     -0.316399
  C      -6.187132     10.687193      0.445881
  O      -7.197893     10.054095      0.152453
  C      -5.298399     10.242762      1.561755
  C      -4.097678     10.901854      1.878297
  C      -3.301026     10.442948      2.921678
  C      -3.698201      9.316481      3.639105
  F      -2.900814      8.928234      4.659221
  C      -4.888749      8.628143      3.361312
  C      -5.388088      7.405663      4.090206
  O      -6.606098      7.254638      4.246676
  N      -4.397760      6.540254      4.503193
  C      -4.773338      5.284532      4.663752
  C      -5.676656      9.128546      2.321024
  C     -11.444919     -0.652001      0.995601
  C     -10.588070     -0.722620      2.241329
  O     -10.581406     -1.729143      2.943303
  C      -9.755254      0.466847      2.597619
  C      -9.657182      1.593972      1.762789
  C      -8.873961      2.680139      2.133433
  C      -8.187654      2.633721      3.343025
  F      -7.486281      3.730035      3.700483
  C      -8.255636      1.534765      4.208417
  C      -7.685390      1.500288      5.589070
  O      -8.348710      1.011855      6.505181
  N      -6.429763      2.051351      5.831053
  C      -6.077576      2.293098      7.129158
  C      -9.059101      0.461066      3.810022
  H      -8.239601      1.912308     -1.442562
  H      -6.781051      2.927484     -1.684332
  H      -6.836376      1.233739     -2.277903
  H      -8.167116     -0.528703     -1.328592
  H      -8.709525     -2.744813     -0.327172
  H      -3.975876     -1.812585      4.899957
  H      -5.816354      0.386956      2.171620
  H      -5.727127     12.802141      0.362689
  H      -4.835947     11.820451     -0.810669
  H      -6.578655     12.141745     -1.072292
  H      -3.778291     11.778329      1.314385
  H      -2.373222     10.945307      3.197207
  H      -5.769775      4.954730      4.349402
  H      -6.618220      8.627410      2.092857
  H     -11.993488     -1.593567      0.887239
  H     -10.816873     -0.491575      0.106185
  H     -12.155747      0.186248      1.048193
  H     -10.197122      1.629785      0.816588
  H      -8.789685      3.572551      1.513352
  H      -6.805821      2.339285      7.948164
  H      -9.154432     -0.400155      4.472053
  N      -4.718536      2.211917      3.345030
  H      -5.109334      2.286501      2.388279
88
Coordinates from ORCA-job orca E -6669.464632767565
  N      -3.900871      0.209370      5.406465
  Mo     -4.413785      2.239022      5.044676
  N      -4.792850      2.486597      7.168493
  C      -3.859680      3.034626      8.101570
  C      -2.479100      2.545461      7.628204
  N      -2.365151      2.373678      6.125263
  C      -1.678805      1.085931      5.819816
  C      -2.640848     -0.056884      6.099146
  C      -1.697993      3.544036      5.493088
  C      -2.620354      4.744619      5.568077
  N      -3.964553      4.331587      5.150837
  H      -2.195616     -1.004622      5.756471
  H      -2.814382     -0.161556      7.184599
  H      -1.419257      1.100668      4.751820
  H      -0.749040      0.992652      6.406684
  H      -2.645137      5.165346      6.588576
  H      -2.258423      5.553549      4.915300
  H      -0.728271      3.746918      5.979257
  H      -1.510964      3.278894      4.442301
  H      -4.035091      2.711945      9.141981
  H      -3.917005      4.135167      8.080262
  H      -2.286555      1.562789      8.072439
  H      -1.679483      3.223497      7.961423
  C      -7.107262      1.864935     -1.492994
  C      -6.561333      1.420577     -0.157912
  O      -5.841124      2.179029      0.498777
  C      -6.924190      0.070753      0.348686
  C      -7.754284     -0.824978     -0.349754
  C      -8.075365     -2.057804      0.208766
  C      -7.570023     -2.403534      1.464034
  F      -7.923810     -3.598046      1.961053
  C      -6.739672     -1.538967      2.195843
  C      -6.113962     -1.861627      3.528802
  O      -6.069361     -3.007688      3.980740
  N      -5.603266     -0.723347      4.132723
  C      -4.506583     -0.839653      4.831467
  C      -6.442610     -0.312105      1.602116
  C      -5.851896     11.963945     -0.269604
  C      -6.215215     10.703664      0.486817
  O      -7.224824     10.067626      0.196048
  C      -5.315935     10.255578      1.592738
  C      -4.111677     10.913111      1.898794
  C      -3.303538     10.450145      2.931417
  C      -3.693531      9.321215      3.648612
  F      -2.885477      8.927981      4.658447
  C      -4.887570      8.634689      3.381799
  C      -5.378283      7.410602      4.113088
  O      -6.594115      7.262210      4.289488
  N      -4.384219      6.539970      4.505787
  C      -4.762038      5.284832      4.665944
  C      -5.686929      9.138694      2.351931
  C     -11.446698     -0.647192      0.997234
  C     -10.591992     -0.707297      2.244836
  O     -10.592771     -1.704413      2.960069
  C      -9.751057      0.480841      2.586078
  C      -9.636857      1.592516      1.732732
  C      -8.843894      2.676425      2.089015
  C      -8.164452      2.643918      3.302857
  F      -7.451332      3.738110      3.644294
  C      -8.250444      1.561828      4.187521
  C      -7.691177      1.543473      5.573179
  O      -8.368563      1.080130      6.491993
  N      -6.428828      2.078409      5.815276
  C      -6.078985      2.329669      7.112451
  C      -9.062611      0.489702      3.802759
  H      -8.208152      1.870527     -1.473076
  H      -6.740645      2.871664     -1.718551
  H      -6.805325      1.171810     -2.292489
  H      -8.159018     -0.565602     -1.328721
  H      -8.725736     -2.765939     -0.305222
  H      -3.999071     -1.818232      4.922786
  H      -5.814504      0.367924      2.170380
  H      -5.756258     12.820150      0.414831
  H      -4.883032     11.847307     -0.779365
  H      -6.628987     12.170930     -1.012909
  H      -3.798339     11.791634      1.334695
  H      -2.372533     10.951038      3.198680
  H      -5.765134      4.961467      4.366067
  H      -6.631094      8.638664      2.132230
  H     -12.004428     -1.584844      0.902928
  H     -10.815416     -0.507447      0.106700
  H     -12.149166      0.198875      1.035343
  H     -10.171624      1.617989      0.783217
  H      -8.746547      3.556895      1.453920
  H      -6.810630      2.401993      7.926483
  H      -9.170823     -0.358662      4.479278
  N      -4.704816      2.197422      3.332650
  H      -5.088688      2.266734      2.372889
88
Coordinates from ORCA-job orca E -6669.464733639021
  N      -3.899843      0.210344      5.402753
  Mo     -4.409094      2.237328      5.033975
  N      -4.790115      2.494669      7.156571
  C      -3.853816      3.048332      8.084286
  C      -2.477612      2.546724      7.613859
  N      -2.361845      2.369736      6.110374
  C      -1.675433      1.080754      5.813444
  C      -2.639720     -0.061162      6.093638
  C      -1.691498      3.534822      5.473899
  C      -2.607219      4.740331      5.544846
  N      -3.958315      4.330893      5.147142
  H      -2.199132     -1.009916      5.747868
  H      -2.809416     -0.168550      7.179463
  H      -1.412040      1.087571      4.746285
  H      -0.747439      0.990275      6.403443
  H      -2.619706      5.177613      6.558675
  H      -2.245812      5.538234      4.877769
  H      -0.719684      3.735299      5.957120
  H      -1.506538      3.266236      4.423581
  H      -4.029939      2.734594      9.127405
  H      -3.907550      4.148791      8.055456
  H      -2.297699      1.562013      8.058557
  H      -1.671016      3.216375      7.947471
  C      -7.076480      1.813234     -1.520633
  C      -6.538799      1.382076     -0.177599
  O      -5.816092      2.143158      0.473236
  C      -6.914640      0.041428      0.343304
  C      -7.751411     -0.854480     -0.347360
  C      -8.086203     -2.077497      0.224536
  C      -7.587427     -2.413304      1.484864
  F      -7.953403     -3.598718      1.994586
  C      -6.750874     -1.548462      2.209111
  C      -6.132196     -1.861395      3.547347
  O      -6.101559     -3.001888      4.014200
  N      -5.611357     -0.722216      4.139998
  C      -4.513394     -0.839117      4.834940
  C      -6.440562     -0.331238      1.602585
  C      -5.867964     11.965542     -0.240858
  C      -6.227680     10.703161      0.514129
  O      -7.231107     10.060276      0.217444
  C      -5.329784     10.259418      1.623116
  C      -4.125797     10.918054      1.926390
  C      -3.314551     10.458167      2.957904
  C      -3.702980      9.330134      3.676707
  F      -2.894096      8.936985      4.685859
  C      -4.897329      8.642620      3.413489
  C      -5.381663      7.420173      4.148844
  O      -6.595209      7.274799      4.344111
  N      -4.384377      6.543863      4.523439
  C      -4.762980      5.288893      4.683424
  C      -5.700320      9.143462      2.384464
  C     -11.453396     -0.641076      1.004274
  C     -10.600663     -0.690306      2.253218
  O     -10.609335     -1.676858      2.983066
  C      -9.752575      0.496888      2.579194
  C      -9.622808      1.592731      1.707841
  C      -8.820049      2.674159      2.049230
  C      -8.147568      2.655806      3.267033
  F      -7.423355      3.747771      3.593321
  C      -8.250587      1.591603      4.170584
  C      -7.701645      1.590436      5.560958
  O      -8.394304      1.158658      6.483348
  N      -6.429012      2.102126      5.800906
  C      -6.079182      2.362475      7.096647
  C      -9.071062      0.520663      3.799864
  H      -8.177222      1.828490     -1.506415
  H      -6.701152      2.814044     -1.758259
  H      -6.774821      1.107175     -2.308819
  H      -8.150929     -0.601455     -1.330048
  H      -8.742649     -2.784567     -0.283050
  H      -4.008590     -1.818797      4.929837
  H      -5.807556      0.351173      2.162671
  H      -5.769803     12.821766      0.442925
  H      -4.900438     11.847493     -0.753109
  H      -6.647078     12.171911     -0.982181
  H      -3.814719     11.796111      1.360321
  H      -2.383550     10.960194      3.222915
  H      -5.773947      4.970863      4.404225
  H      -6.644181      8.641660      2.167767
  H     -12.017069     -1.576098      0.921173
  H     -10.824177     -0.512833      0.111007
  H     -12.151157      0.209556      1.037147
  H     -10.154306      1.608278      0.756205
  H      -8.709990      3.541944      1.398887
  H      -6.813510      2.461641      7.905374
  H      -9.190833     -0.316041      4.488814
  N      -4.689096      2.189005      3.319250
  H      -5.067900      2.258489      2.357861
88
Coordinates from ORCA-job orca E -6669.464835269007
  N      -3.908463      0.205364      5.411677
  Mo     -4.401451      2.233111      5.024876
  N      -4.787476      2.508372      7.144455
  C      -3.849286      3.069872      8.065756
  C      -2.475206      2.554296      7.604339
  N      -2.357288      2.360255      6.103174
  C      -1.679243      1.063229      5.820778
  C      -2.652381     -0.069024      6.108816
  C      -1.677344      3.513228      5.454677
  C      -2.582484      4.727854      5.512613
  N      -3.939555      4.324335      5.129163
  H      -2.217701     -1.024170      5.773311
  H      -2.826234     -0.164822      7.195106
  H      -1.412775      1.058055      4.754350
  H      -0.753722      0.972250      6.414518
  H      -2.585537      5.181377      6.519425
  H      -2.217035      5.512371      4.831927
  H      -0.703661      3.710338      5.935454
  H      -1.495012      3.231543      4.407345
  H      -4.028343      2.771964      9.112990
  H      -3.896411      4.170049      8.020700
  H      -2.302554      1.573260      8.060023
  H      -1.665182      3.222370      7.932695
  C      -7.043661      1.762672     -1.538726
  C      -6.515823      1.340860     -0.188781
  O      -5.786580      2.100974      0.455824
  C      -6.909013      0.010775      0.346283
  C      -7.753783     -0.883506     -0.336702
  C      -8.104775     -2.095628      0.248492
  C      -7.614370     -2.422324      1.514523
  F      -7.996356     -3.597076      2.037084
  C      -6.770142     -1.558810      2.231365
  C      -6.158999     -1.863330      3.574974
  O      -6.143468     -2.998462      4.055372
  N      -5.626679     -0.723551      4.156097
  C      -4.530587     -0.843972      4.853409
  C      -6.443582     -0.352520      1.611575
  C      -5.919295     11.986297     -0.192974
  C      -6.264955     10.717415      0.557648
  O      -7.269358     10.072501      0.268624
  C      -5.352607     10.269939      1.653256
  C      -4.146086     10.929080      1.945008
  C      -3.321824     10.465843      2.964708
  C      -3.700103      9.334177      3.683314
  F      -2.879129      8.938129      4.681494
  C      -4.896511      8.646064      3.431235
  C      -5.370339      7.420278      4.167847
  O      -6.580818      7.274596      4.381265
  N      -4.367852      6.541395      4.522183
  C      -4.747986      5.286934      4.682197
  C      -5.712317      9.150043      2.414009
  C     -11.451518     -0.623457      0.994065
  C     -10.602898     -0.666156      2.246044
  O     -10.623435     -1.643689      2.987715
  C      -9.743690      0.516230      2.560184
  C      -9.596776      1.598181      1.674402
  C      -8.782894      2.674682      2.004950
  C      -8.116796      2.665603      3.226369
  F      -7.379400      3.752808      3.539301
  C      -8.238538      1.616234      4.145085
  C      -7.700020      1.628220      5.539542
  O      -8.404238      1.216235      6.462305
  N      -6.423392      2.127939      5.782548
  C      -6.078003      2.397103      7.077893
  C      -9.069284      0.549687      3.784566
  H      -8.144222      1.790690     -1.528774
  H      -6.656016      2.756411     -1.786363
  H      -6.747364      1.044099     -2.317599
  H      -8.146700     -0.637744     -1.323905
  H      -8.767383     -2.801165     -0.253220
  H      -4.034959     -1.827296      4.958692
  H      -5.804612      0.329179      2.165813
  H      -5.810903     12.837361      0.495640
  H      -4.960197     11.873429     -0.721970
  H      -6.710478     12.197251     -0.920091
  H      -3.843080     11.810130      1.379166
  H      -2.388465     10.968151      3.220706
  H      -5.764548      4.973885      4.418123
  H      -6.658033      8.647934      2.206295
  H     -12.026912     -1.552244      0.921866
  H     -10.817996     -0.515661      0.101029
  H     -12.138070      0.236611      1.012951
  H     -10.122741      1.606620      0.719609
  H      -8.658856      3.531653      1.342914
  H      -6.816148      2.519639      7.879924
  H      -9.203409     -0.275188      4.485027
  N      -4.672298      2.171784      3.308940
  H      -5.045315      2.234097      2.344931
88
Coordinates from ORCA-job orca E -6669.464935113809
  N      -3.909740      0.194912      5.423390
  Mo     -4.386328      2.226775      5.019527
  N      -4.784033      2.517704      7.133186
  C      -3.844788      3.088454      8.047183
  C      -2.469556      2.564059      7.595627
  N      -2.350550      2.351330      6.098286
  C      -1.678625      1.046640      5.828396
  C      -2.656744     -0.077076      6.125395
  C      -1.662874      3.493009      5.435372
  C      -2.557950      4.717268      5.478501
  N      -3.919828      4.317792      5.112291
  H      -2.222923     -1.037048      5.802611
  H      -2.837092     -0.158543      7.211873
  H      -1.410648      1.032907      4.762390
  H      -0.755243      0.957531      6.425518
  H      -2.549002      5.187666      6.477387
  H      -2.186888      5.485391      4.782430
  H      -0.686691      3.686470      5.912073
  H      -1.486335      3.195676      4.391400
  H      -4.024841      2.806896      9.098626
  H      -3.885894      4.187962      7.982766
  H      -2.298940      1.589134      8.065632
  H      -1.659218      3.234671      7.917498
  C      -7.004843      1.723641     -1.546639
  C      -6.486085      1.304509     -0.192325
  O      -5.746268      2.059398      0.446135
  C      -6.898719     -0.015178      0.354811
  C      -7.753265     -0.906496     -0.320056
  C      -8.122961     -2.106084      0.278647
  C      -7.642390     -2.424946      1.550882
  F      -8.046253     -3.585754      2.088516
  C      -6.786757     -1.565870      2.258751
  C      -6.180134     -1.866364      3.605477
  O      -6.176873     -2.997965      4.094359
  N      -5.636850     -0.726927      4.177802
  C      -4.541272     -0.852837      4.876416
  C      -6.441241     -0.371250      1.625599
  C      -5.977230     11.984140     -0.160185
  C      -6.308803     10.715271      0.596279
  O      -7.318946     10.070237      0.326650
  C      -5.378918     10.268482      1.677361
  C      -4.172183     10.931891      1.957978
  C      -3.337254     10.470412      2.970427
  C      -3.704271      9.336761      3.692988
  F      -2.873818      8.945998      4.685154
  C      -4.899699      8.643768      3.449271
  C      -5.364838      7.414271      4.187179
  O      -6.572184      7.267644      4.412869
  N      -4.354840      6.535667      4.522081
  C      -4.735286      5.281373      4.684056
  C      -5.725410      9.146537      2.440336
  C     -11.456069     -0.580322      0.965806
  C     -10.617996     -0.625067      2.225211
  O     -10.662847     -1.594247      2.977009
  C      -9.740874      0.545301      2.535310
  C      -9.577281      1.620463      1.644802
  C      -8.749588      2.687273      1.972402
  C      -8.086403      2.673813      3.195512
  F      -7.332491      3.750848      3.500638
  C      -8.224834      1.630690      4.119766
  C      -7.689746      1.646909      5.515284
  O      -8.397421      1.240488      6.438173
  N      -6.412964      2.144728      5.762083
  C      -6.074518      2.421030      7.058059
  C      -9.069461      0.573831      3.761983
  H      -8.105111      1.767140     -1.537426
  H      -6.602958      2.710521     -1.800318
  H      -6.718998      0.994635     -2.319734
  H      -8.138689     -0.669109     -1.312419
  H      -8.793045     -2.808618     -0.217603
  H      -4.056087     -1.840556      4.990460
  H      -5.793638      0.306504      2.174713
  H      -5.859130     12.834649      0.527814
  H      -5.026970     11.874369     -0.704916
  H      -6.780739     12.195444     -0.873631
  H      -3.877063     11.814438      1.390045
  H      -2.403630     10.976453      3.217727
  H      -5.756878      4.968596      4.440582
  H      -6.671210      8.641512      2.240365
  H     -12.046964     -1.499645      0.895259
  H     -10.816273     -0.488272      0.074938
  H     -12.127038      0.291953      0.974769
  H     -10.098820      1.630963      0.687791
  H      -8.611457      3.539014      1.306711
  H      -6.819019      2.560511      7.851584
  H      -9.218746     -0.245200      4.466007
  N      -4.647265      2.154195      3.303171
  H      -5.016388      2.208372      2.337336
88
Coordinates from ORCA-job orca E -6669.465057539611
  N      -3.916922      0.198303      5.423883
  Mo     -4.386877      2.227270      5.005880
  N      -4.783292      2.529889      7.119380
  C      -3.841161      3.109907      8.025468
  C      -2.468690      2.576900      7.577436
  N      -2.350379      2.352362      6.081197
  C      -1.682113      1.043836      5.823676
  C      -2.665264     -0.074360      6.128714
  C      -1.659071      3.486178      5.408914
  C      -2.548782      4.714195      5.446662
  N      -3.916119      4.317151      5.097658
  H      -2.236215     -1.038363      5.811666
  H      -2.845187     -0.148471      7.215794
  H      -1.412355      1.019388      4.758335
  H      -0.759806      0.956958      6.422778
  H      -2.529254      5.196407      6.439868
  H      -2.181425      5.473613      4.738931
  H      -0.681017      3.679147      5.882070
  H      -1.485419      3.181303      4.366660
  H      -4.019791      2.840515      9.080354
  H      -3.881296      4.208642      7.949454
  H      -2.302631      1.604076      8.053330
  H      -1.655070      3.246077      7.894030
  C      -6.997511      1.668665     -1.563427
  C      -6.479427      1.261288     -0.205380
  O      -5.735820      2.018824      0.425627
  C      -6.898684     -0.050654      0.354330
  C      -7.756876     -0.944029     -0.313026
  C      -8.133170     -2.136079      0.296660
  C      -7.655029     -2.444735      1.572119
  F      -8.063639     -3.598993      2.119802
  C      -6.796233     -1.582680      2.272760
  C      -6.193185     -1.872187      3.623155
  O      -6.193937     -2.998974      4.122986
  N      -5.646750     -0.729450      4.185641
  C      -4.551684     -0.852129      4.884769
  C      -6.444532     -0.395990      1.628952
  C      -5.971865     12.018134     -0.119111
  C      -6.306826     10.743982      0.626932
  O      -7.313973     10.099507      0.346007
  C      -5.381419     10.290327      1.708988
  C      -4.173698     10.950093      1.994077
  C      -3.339494     10.481570      3.003554
  C      -3.708646      9.344391      3.718708
  F      -2.878560      8.944559      4.707682
  C      -4.905346      8.655061      3.471684
  C      -5.368312      7.421744      4.204316
  O      -6.574146      7.275952      4.439162
  N      -4.357792      6.538260      4.524946
  C      -4.738356      5.283917      4.688315
  C      -5.730956      9.164543      2.465604
  C     -11.453791     -0.591060      0.969689
  C     -10.616225     -0.623628      2.229586
  O     -10.662260     -1.584740      2.991488
  C      -9.737336      0.548716      2.527270
  C      -9.565013      1.610355      1.622288
  C      -8.732896      2.677412      1.937842
  C      -8.074767      2.678657      3.163865
  F      -7.316217      3.756244      3.457331
  C      -8.223431      1.650261      4.102747
  C      -7.695897      1.681747      5.501054
  O      -8.413817      1.297468      6.425484
  N      -6.413998      2.165477      5.747025
  C      -6.075230      2.451875      7.040863
  C      -9.071458      0.592481      3.756311
  H      -8.097594      1.715352     -1.555028
  H      -6.592689      2.651349     -1.827047
  H      -6.713098      0.931451     -2.329232
  H      -8.140623     -0.713474     -1.307605
  H      -8.806672     -2.839750     -0.193219
  H      -4.068780     -1.839982      5.006765
  H      -5.794841      0.285042      2.171598
  H      -5.850537     12.863435      0.574515
  H      -5.021974     11.908286     -0.664858
  H      -6.774499     12.236678     -0.831362
  H      -3.876945     11.835121      1.430956
  H      -2.404799     10.984262      3.253717
  H      -5.764764      4.974201      4.460955
  H      -6.677282      8.661709      2.262438
  H     -12.046392     -1.509965      0.909941
  H     -10.813246     -0.511072      0.078465
  H     -12.123310      0.282491      0.968311
  H     -10.083124      1.610040      0.663269
  H      -8.587470      3.518433      1.260092
  H      -6.819877      2.613378      7.830053
  H      -9.226502     -0.216487      4.470699
  N      -4.642938      2.143690      3.288643
  H      -5.006635      2.192217      2.320565
88
Coordinates from ORCA-job orca E -6669.465174742334
  N      -3.917160      0.202728      5.423882
  Mo     -4.385782      2.227478      4.990343
  N      -4.783828      2.538136      7.104016
  C      -3.840346      3.129640      8.002565
  C      -2.468431      2.594471      7.556870
  N      -2.350120      2.358666      6.061721
  C      -1.681496      1.048401      5.817219
  C      -2.666291     -0.066757      6.131370
  C      -1.658723      3.487251      5.380576
  C      -2.546881      4.715572      5.416386
  N      -3.917996      4.317609      5.084822
  H      -2.238787     -1.033375      5.820254
  H      -2.845583     -0.133370      7.218947
  H      -1.409782      1.013886      4.752710
  H      -0.760109      0.966748      6.418458
  H      -2.517632      5.205315      6.405629
  H      -2.186704      5.469441      4.698848
  H      -0.679358      3.682016      5.850276
  H      -1.487585      3.176697      4.339609
  H      -4.015506      2.869771      9.060459
  H      -3.884783      4.227503      7.917290
  H      -2.302519      1.624526      8.038499
  H      -1.654263      3.265654      7.867883
  C      -6.992926      1.619479     -1.578385
  C      -6.471698      1.222830     -0.218466
  O      -5.724622      1.983771      0.404242
  C      -6.893918     -0.082840      0.353172
  C      -7.755120     -0.978829     -0.306581
  C      -8.135075     -2.164814      0.312761
  C      -7.656689     -2.464147      1.590053
  F      -8.067519     -3.612918      2.147069
  C      -6.794938     -1.598841      2.283340
  C      -6.192395     -1.879855      3.635591
  O      -6.192120     -3.003583      4.142258
  N      -5.646372     -0.733626      4.191183
  C      -4.551789     -0.851597      4.891570
  C      -6.440234     -0.418351      1.630444
  C      -5.948837     12.043504     -0.089498
  C      -6.296954     10.771160      0.653683
  O      -7.305638     10.132867      0.364936
  C      -5.379559     10.310363      1.739520
  C      -4.169671     10.963840      2.030539
  C      -3.339594     10.487559      3.039516
  C      -3.714737      9.348399      3.747638
  F      -2.887383      8.938158      4.734815
  C      -4.913600      8.665202      3.495332
  C      -5.378586      7.428561      4.221287
  O      -6.583897      7.284864      4.459787
  N      -4.368816      6.539990      4.530176
  C      -4.748532      5.285191      4.695417
  C      -5.735987      9.182594      2.490416
  C     -11.461321     -0.598057      0.972229
  C     -10.627840     -0.620756      2.234887
  O     -10.679996     -1.573759      3.006344
  C      -9.745711      0.551587      2.523529
  C      -9.567488      1.604172      1.609137
  C      -8.731773      2.670870      1.916517
  C      -8.076428      2.681363      3.144099
  F      -7.315813      3.759445      3.431517
  C      -8.230661      1.662086      4.091514
  C      -7.703940      1.701929      5.489975
  O      -8.426562      1.332502      6.416792
  N      -6.417723      2.174813      5.732291
  C      -6.076987      2.471348      7.023190
  C      -9.081661      0.604346      3.752971
  H      -8.092802      1.668706     -1.567358
  H      -6.586261      2.598393     -1.852033
  H      -6.712045      0.875202     -2.338625
  H      -8.139286     -0.754421     -1.302325
  H      -8.811950     -2.869729     -0.170503
  H      -4.069410     -1.838695      5.021268
  H      -5.788366      0.265826      2.166521
  H      -5.825724     12.888160      0.604493
  H      -4.996184     11.926127     -0.629101
  H      -6.745242     12.267347     -0.807098
  H      -3.867847     11.849748      1.471664
  H      -2.403172     10.985008      3.293774
  H      -5.778675      4.975672      4.483596
  H      -6.683499      8.683775      2.282549
  H     -12.052170     -1.518356      0.918166
  H     -10.818536     -0.523768      0.082529
  H     -12.133028      0.273960      0.962903
  H     -10.084606      1.597491      0.649544
  H      -8.581682      3.504855      1.231070
  H      -6.820945      2.648977      7.809597
  H      -9.239076     -0.199098      4.473079
  N      -4.635224      2.133980      3.272061
  H      -4.994426      2.175524      2.302230
88
Coordinates from ORCA-job orca E -6669.465275452224
  N      -3.920150      0.199076      5.432041
  Mo     -4.376648      2.223021      4.980333
  N      -4.779492      2.545861      7.091823
  C      -3.835213      3.147442      7.983223
  C      -2.463554      2.606560      7.543178
  N      -2.344982      2.355006      6.050514
  C      -1.681161      1.039322      5.819771
  C      -2.671228     -0.068862      6.143643
  C      -1.649396      3.474372      5.357609
  C      -2.531819      4.707606      5.384939
  N      -3.907454      4.312125      5.069615
  H      -2.247148     -1.040097      5.842357
  H      -2.852360     -0.123891      7.231534
  H      -1.408045      0.993483      4.756033
  H      -0.761114      0.960275      6.423347
  H      -2.492643      5.208590      6.368113
  H      -2.173140      5.451088      4.655885
  H      -0.668184      3.668211      5.823671
  H      -1.482094      3.153243      4.319243
  H      -4.009482      2.900018      9.044250
  H      -3.879253      4.244207      7.884817
  H      -2.298742      1.641467      8.034825
  H      -1.648875      3.280056      7.847703
  C      -6.973842      1.567850     -1.588109
  C      -6.455472      1.179685     -0.224635
  O      -5.700442      1.939511      0.389733
  C      -6.890700     -0.115634      0.360821
  C      -7.760526     -1.010192     -0.289585
  C      -8.154218     -2.184575      0.343171
  C      -7.680689     -2.473981      1.624562
  F      -8.105650     -3.610877      2.195232
  C      -6.809745     -1.610346      2.308314
  C      -6.210096     -1.883398      3.663496
  O      -6.219679     -3.002108      4.181020
  N      -5.654910     -0.736360      4.208062
  C      -4.561111     -0.855932      4.909714
  C      -6.441698     -0.441221      1.642380
  C      -5.982478     12.053892     -0.052267
  C      -6.326030     10.781360      0.692730
  O      -7.338245     10.144841      0.412309
  C      -5.399791     10.317797      1.769814
  C      -4.187409     10.970274      2.052585
  C      -3.349095     10.490981      3.053392
  C      -3.718277      9.349591      3.761138
  F      -2.882860      8.936391      4.740269
  C      -4.919233      8.667249      3.516538
  C      -5.377487      7.427750      4.242167
  O      -6.579819      7.285033      4.495333
  N      -4.364536      6.536486      4.532528
  C      -4.744168      5.281529      4.698042
  C      -5.749982      9.187930      2.520467
  C     -11.457261     -0.569720      0.949461
  C     -10.631538     -0.589742      2.217326
  O     -10.699250     -1.534699      2.997440
  C      -9.738071      0.575337      2.500574
  C      -9.544931      1.618845      1.578873
  C      -8.698883      2.678719      1.881497
  C      -8.048780      2.691986      3.111813
  F      -7.276413      3.763348      3.392719
  C      -8.218745      1.682309      4.067003
  C      -7.698743      1.727523      5.467891
  O      -8.429037      1.370700      6.393658
  N      -6.409838      2.190890      5.713792
  C      -6.072864      2.493968      7.004235
  C      -9.079051      0.630740      3.732596
  H      -8.073235      1.627262     -1.576346
  H      -6.558346      2.540353     -1.871562
  H      -6.700713      0.813704     -2.341473
  H      -8.141242     -0.793481     -1.288359
  H      -8.838463     -2.887554     -0.132493
  H      -4.086015     -1.845262      5.049037
  H      -5.782866      0.241837      2.171385
  H      -5.852702     12.897813      0.641398
  H      -5.034411     11.935845     -0.599630
  H      -6.784349     12.279381     -0.763222
  H      -3.890014     11.857734      1.493777
  H      -2.410609     10.987769      3.301280
  H      -5.778097      4.973642      4.502683
  H      -6.699279      8.689971      2.318709
  H     -12.056235     -1.485020      0.899125
  H     -10.808983     -0.508037      0.062740
  H     -12.120980      0.308155      0.929611
  H     -10.057999      1.610332      0.617147
  H      -8.536579      3.505364      1.189952
  H      -6.819256      2.689424      7.784125
  H      -9.248084     -0.165381      4.458161
  N      -4.617058      2.117354      3.261314
  H      -4.971646      2.150400      2.289516
88
Coordinates from ORCA-job orca E -6669.465341906592
  N      -3.911548      0.193932      5.447169
  Mo     -4.364707      2.215835      4.966947
  N      -4.776934      2.547638      7.076310
  C      -3.836487      3.162497      7.962895
  C      -2.458832      2.631359      7.525636
  N      -2.339729      2.359513      6.036609
  C      -1.676046      1.040251      5.821934
  C      -2.664551     -0.062573      6.162467
  C      -1.646312      3.471838      5.328885
  C      -2.529242      4.704499      5.350178
  N      -3.905430      4.305643      5.047339
  H      -2.238050     -1.037797      5.877850
  H      -2.847624     -0.098943      7.250646
  H      -1.404010      0.981948      4.758470
  H      -0.755885      0.968825      6.426232
  H      -2.484500      5.207672      6.331526
  H      -2.174851      5.442903      4.614341
  H      -0.664179      3.669598      5.790906
  H      -1.482824      3.139054      4.293623
  H      -4.006515      2.921324      9.026088
  H      -3.890050      4.258048      7.855682
  H      -2.280823      1.676376      8.032093
  H      -1.652517      3.319370      7.819504
  C      -6.975715      1.530653     -1.583152
  C      -6.446402      1.144433     -0.223182
  O      -5.680963      1.903154      0.379345
  C      -6.885580     -0.144354      0.374836
  C      -7.764820     -1.038413     -0.263790
  C      -8.169020     -2.201634      0.382904
  C      -7.696223     -2.480955      1.666944
  F      -8.136016     -3.604031      2.254090
  C      -6.812451     -1.620333      2.337740
  C      -6.207516     -1.889547      3.692211
  O      -6.221375     -3.005926      4.214692
  N      -5.644995     -0.742092      4.227441
  C      -4.553343     -0.863402      4.934506
  C      -6.434679     -0.461387      1.658421
  C      -5.995159     12.050184     -0.033589
  C      -6.343744     10.788283      0.727095
  O      -7.366662     10.160305      0.465303
  C      -5.411464     10.324393      1.798599
  C      -4.198827     10.977443      2.079030
  C      -3.357435     10.496093      3.076855
  C      -3.722175      9.351147      3.781940
  F      -2.883285      8.936870      4.757680
  C      -4.923067      8.668291      3.537832
  C      -5.379728      7.423318      4.255916
  O      -6.580344      7.282336      4.516394
  N      -4.364631      6.529697      4.529415
  C      -4.743493      5.273710      4.686790
  C      -5.757125      9.192445      2.547487
  C     -11.460710     -0.529780      0.907884
  C     -10.652195     -0.552627      2.187296
  O     -10.748588     -1.488820      2.974937
  C      -9.741639      0.598572      2.473118
  C      -9.537529      1.643812      1.555365
  C      -8.679947      2.693061      1.862034
  C      -8.029439      2.694524      3.091782
  F      -7.243495      3.754650      3.373301
  C      -8.209772      1.682572      4.043398
  C      -7.687183      1.716161      5.443695
  O      -8.413230      1.348631      6.368471
  N      -6.400328      2.185203      5.692707
  C      -6.069377      2.489388      6.984110
  C      -9.081033      0.641356      3.704706
  H      -8.074551      1.598502     -1.557322
  H      -6.556253      2.499659     -1.874882
  H      -6.718657      0.771842     -2.337629
  H      -8.146319     -0.829851     -1.264023
  H      -8.862423     -2.902434     -0.082702
  H      -4.085902     -1.854615      5.085602
  H      -5.767037      0.218613      2.180261
  H      -5.874208     12.902791      0.651294
  H      -5.041891     11.928888     -0.570288
  H      -6.791526     12.265837     -0.753637
  H      -3.904042     11.867283      1.522517
  H      -2.419455     10.994276      3.323961
  H      -5.778987      4.965754      4.501057
  H      -6.707036      8.695440      2.346345
  H     -12.065112     -1.441423      0.851038
  H     -10.801149     -0.472565      0.028822
  H     -12.119135      0.351420      0.878390
  H     -10.050888      1.644527      0.593902
  H      -8.508660      3.520818      1.173824
  H      -6.819481      2.682971      7.761052
  H      -9.258716     -0.155154      4.427758
  N      -4.591760      2.097367      3.247503
  H      -4.945387      2.117376      2.274708
88
Coordinates from ORCA-job orca E -6669.465449506590
  N      -3.927416      0.195072      5.453952
  Mo     -4.360480      2.215009      4.956397
  N      -4.774177      2.563812      7.064351
  C      -3.830947      3.186248      7.943188
  C      -2.456370      2.642724      7.513921
  N      -2.337174      2.353761      6.027722
  C      -1.683510      1.027180      5.829295
  C      -2.684300     -0.064448      6.177806
  C      -1.635356      3.453584      5.308645
  C      -2.509228      4.694070      5.319412
  N      -3.891676      4.302108      5.030504
  H      -2.266559     -1.046745      5.904815
  H      -2.870837     -0.087636      7.265832
  H      -1.408509      0.954154      4.767508
  H      -0.765746      0.954739      6.437142
  H      -2.454867      5.210624      6.293565
  H      -2.154199      5.420907      4.572283
  H      -0.651094      3.648535      5.767552
  H      -1.474933      3.109779      4.276554
  H      -4.002790      2.960356      9.009443
  H      -3.879757      4.280498      7.821678
  H      -2.283617      1.692159      8.030539
  H      -1.646575      3.329781      7.800262
  C      -6.944786      1.485087     -1.604210
  C      -6.427898      1.109733     -0.236420
  O      -5.659512      1.867977      0.363113
  C      -6.880750     -0.169320      0.371593
  C      -7.762937     -1.062884     -0.263480
  C      -8.175129     -2.219630      0.389906
  C      -7.707659     -2.492041      1.677258
  F      -8.152366     -3.610211      2.269930
  C      -6.823766     -1.629791      2.345761
  C      -6.227115     -1.890141      3.705253
  O      -6.247963     -3.002096      4.236991
  N      -5.661039     -0.741174      4.233234
  C      -4.574491     -0.862543      4.947342
  C      -6.437650     -0.478047      1.659595
  C      -6.020618     12.080809      0.010709
  C      -6.363345     10.812146      0.762762
  O      -7.387558     10.186104      0.502231
  C      -5.423406     10.340040      1.824000
  C      -4.207559     10.989870      2.098013
  C      -3.358258     10.502064      3.085746
  C      -3.719011      9.354100      3.787435
  F      -2.872648      8.932343      4.753569
  C      -4.922783      8.674167      3.550229
  C      -5.373226      7.426555      4.267474
  O      -6.571372      7.284687      4.539057
  N      -4.356903      6.530043      4.527229
  C      -4.737079      5.274393      4.687969
  C      -5.764789      9.204118      2.569310
  C     -11.464456     -0.529582      0.914221
  C     -10.654205     -0.546729      2.192507
  O     -10.751671     -1.477451      2.986360
  C      -9.739755      0.603747      2.468733
  C      -9.525185      1.635721      1.538544
  C      -8.662871      2.683814      1.835640
  C      -8.017608      2.697432      3.068267
  F      -7.226810      3.756783      3.341066
  C      -8.208199      1.699171      4.031730
  C      -7.690922      1.746737      5.433641
  O      -8.424618      1.399483      6.360174
  N      -6.399713      2.204368      5.679985
  C      -6.067361      2.522102      6.967914
  C      -9.084458      0.658977      3.702727
  H      -8.043008      1.563432     -1.587437
  H      -6.514274      2.446276     -1.904383
  H      -6.688964      0.715416     -2.347855
  H      -8.138719     -0.859778     -1.266992
  H      -8.869803     -2.920594     -0.073457
  H      -4.113814     -1.855091      5.109682
  H      -5.769039      0.203296      2.178530
  H      -5.890467     12.926982      0.701826
  H      -5.073347     11.962221     -0.537472
  H      -6.824132     12.304245     -0.698999
  H      -3.916611     11.882541      1.544111
  H      -2.417499     10.997457      3.327736
  H      -5.775961      4.969342      4.515629
  H      -6.717057      8.709326      2.373854
  H     -12.074918     -1.437575      0.866948
  H     -10.805121     -0.485880      0.034359
  H     -12.116870      0.355937      0.876675
  H     -10.034395      1.627063      0.574820
  H      -8.483506      3.501328      1.137373
  H      -6.816776      2.736163      7.740126
  H      -9.269797     -0.127225      4.435078
  N      -4.580569      2.084184      3.236583
  H      -4.926716      2.097247      2.261226
88
Coordinates from ORCA-job orca E -6669.465489820217
  N      -3.938171      0.200088      5.460227
  Mo     -4.360072      2.216467      4.941445
  N      -4.774797      2.581259      7.047515
  C      -3.830355      3.211408      7.919891
  C      -2.456323      2.663637      7.494731
  N      -2.338632      2.357680      6.011348
  C      -1.690743      1.026407      5.828277
  C      -2.697344     -0.056501      6.189151
  C      -1.633330      3.447517      5.280250
  C      -2.502210      4.691698      5.283132
  N      -3.887719      4.302156      5.005690
  H      -2.284350     -1.044270      5.929053
  H      -2.885198     -0.064665      7.277143
  H      -1.415696      0.939136      4.767590
  H      -0.773592      0.956709      6.437322
  H      -2.440888      5.216868      6.252262
  H      -2.148505      5.410225      4.527315
  H      -0.647306      3.642608      5.735332
  H      -1.476260      3.093792      4.251018
  H      -4.001395      2.995641      8.988397
  H      -3.879185      4.304522      7.788429
  H      -2.281781      1.719183      8.021992
  H      -1.646678      3.354705      7.771582
  C      -6.957656      1.431128     -1.611910
  C      -6.444766      1.071816     -0.238337
  O      -5.684688      1.840691      0.358397
  C      -6.891892     -0.204886      0.378375
  C      -7.766161     -1.108877     -0.252845
  C      -8.174043     -2.262793      0.408172
  C      -7.709396     -2.521975      1.699164
  F      -8.148226     -3.638723      2.298866
  C      -6.832571     -1.649459      2.363588
  C      -6.238040     -1.896474      3.726401
  O      -6.255010     -3.004620      4.266297
  N      -5.671409     -0.743022      4.243564
  C      -4.587565     -0.860252      4.962528
  C      -6.451256     -0.500634      1.670092
  C      -6.012631     12.133864      0.062871
  C      -6.362089     10.861511      0.805420
  O      -7.390725     10.244238      0.541840
  C      -5.421763     10.374087      1.859368
  C      -4.202904     11.016595      2.137258
  C      -3.352615     10.515295      3.117185
  C      -3.715521      9.360987      3.806851
  F      -2.867494      8.924172      4.764821
  C      -4.922120      8.687693      3.565697
  C      -5.372409      7.433199      4.270915
  O      -6.569228      7.291187      4.548248
  N      -4.356159      6.532422      4.516852
  C      -4.736170      5.276436      4.674806
  C      -5.765465      9.231085      2.593105
  C     -11.466339     -0.538479      0.912005
  C     -10.665929     -0.542468      2.196520
  O     -10.783563     -1.455613      3.007847
  C      -9.736799      0.599810      2.457325
  C      -9.500355      1.610167      1.509004
  C      -8.624946      2.651278      1.792128
  C      -7.988118      2.679532      3.028970
  F      -7.183389      3.732300      3.286833
  C      -8.200475      1.703297      4.010164
  C      -7.692226      1.769524      5.414628
  O      -8.434654      1.443214      6.341736
  N      -6.397950      2.218014      5.661389
  C      -6.068007      2.548233      6.946702
  C      -9.089396      0.669620      3.694731
  H      -8.056470      1.500978     -1.601591
  H      -6.533236      2.392870     -1.918131
  H      -6.691761      0.657329     -2.347625
  H      -8.139619     -0.915709     -1.259165
  H      -8.863093     -2.971342     -0.051952
  H      -4.131050     -1.852636      5.137072
  H      -5.788670      0.188890      2.185927
  H      -5.882212     12.974801      0.760359
  H      -5.063786     12.016078     -0.482852
  H      -6.813348     12.364912     -0.647547
  H      -3.910318     11.914179      1.592281
  H      -2.409366     11.004617      3.361868
  H      -5.777393      4.973543      4.513086
  H      -6.719900      8.741628      2.394707
  H     -12.087748     -1.439470      0.877029
  H     -10.800439     -0.518958      0.036452
  H     -12.107727      0.354134      0.853764
  H     -10.003222      1.590389      0.542084
  H      -8.428879      3.452472      1.079606
  H      -6.818503      2.776156      7.713949
  H      -9.291400     -0.099406      4.440813
  N      -4.573809      2.072291      3.221670
  H      -4.916325      2.076377      2.244978
88
Coordinates from ORCA-job orca E -6669.465512708429
  N      -3.958712      0.198044      5.470676
  Mo     -4.359986      2.214080      4.934490
  N      -4.771945      2.598350      7.037449
  C      -3.823081      3.229806      7.903421
  C      -2.452032      2.671005      7.482661
  N      -2.339239      2.346641      6.002883
  C      -1.705000      1.006980      5.832853
  C      -2.721824     -0.061988      6.204896
  C      -1.624695      3.421337      5.258320
  C      -2.480501      4.675539      5.248690
  N      -3.871031      4.295653      4.981988
  H      -2.318062     -1.057064      5.958693
  H      -2.912418     -0.053804      7.292513
  H      -1.432173      0.905234      4.772841
  H      -0.788156      0.934564      6.441929
  H      -2.409669      5.213775      6.210092
  H      -2.121085      5.380123      4.482506
  H      -0.635152      3.610818      5.708115
  H      -1.474480      3.054483      4.232643
  H      -3.995188      3.024968      8.973887
  H      -3.863682      4.321934      7.761089
  H      -2.278638      1.732989      8.022079
  H      -1.639674      3.363012      7.748694
  C      -6.860245      1.371911     -1.652690
  C      -6.368965      1.020154     -0.269270
  O      -5.598702      1.780849      0.324935
  C      -6.849277     -0.238205      0.360045
  C      -7.731298     -1.136201     -0.269110
  C      -8.168152     -2.272423      0.403627
  C      -7.725356     -2.520632      1.704587
  F      -8.190648     -3.621289      2.314400
  C      -6.842639     -1.653471      2.367786
  C      -6.268964     -1.890118      3.741314
  O      -6.309559     -2.990303      4.296203
  N      -5.692777     -0.737723      4.250054
  C      -4.616404     -0.859818      4.979587
  C      -6.431804     -0.522133      1.662051
  C      -6.070821     12.152661      0.111374
  C      -6.403525     10.874718      0.851702
  O      -7.434022     10.255053      0.601082
  C      -5.444936     10.384394      1.887740
  C      -4.223868     11.028739      2.150363
  C      -3.358022     10.525756      3.115765
  C      -3.708444      9.368150      3.806588
  F      -2.845760      8.929543      4.750312
  C      -4.916942      8.692874      3.580337
  C      -5.354497      7.435371      4.287519
  O      -6.546844      7.289750      4.582070
  N      -4.334678      6.531941      4.510132
  C      -4.716702      5.276645      4.662762
  C      -5.775433      9.237839      2.621945
  C     -11.505117     -0.513612      0.941869
  C     -10.695311     -0.515509      2.220400
  O     -10.815999     -1.420954      3.040106
  C      -9.753289      0.619468      2.465257
  C      -9.508082      1.615400      1.504457
  C      -8.618531      2.648687      1.771813
  C      -7.976103      2.683240      3.005701
  F      -7.154523      3.727616      3.244383
  C      -8.199259      1.723218      4.000758
  C      -7.691807      1.802801      5.404817
  O      -8.436627      1.490622      6.334841
  N      -6.394503      2.244689      5.648801
  C      -6.064590      2.582242      6.932440
  C      -9.102045      0.696734      3.700416
  H      -7.957452      1.463720     -1.655590
  H      -6.414094      2.321560     -1.965700
  H      -6.601667      0.583672     -2.375526
  H      -8.087124     -0.952365     -1.283592
  H      -8.862466     -2.976318     -0.055759
  H      -4.170972     -1.855151      5.165974
  H      -5.764418      0.163538      2.176835
  H      -5.937240     12.990327      0.812294
  H      -5.128125     12.044528     -0.446806
  H      -6.882234     12.382971     -0.587005
  H      -3.941242     11.929014      1.604475
  H      -2.412236     11.016136      3.348192
  H      -5.761541      4.981240      4.512555
  H      -6.731515      8.747002      2.435428
  H     -12.138669     -1.406392      0.919429
  H     -10.846065     -0.510330      0.060924
  H     -12.134630      0.387371      0.880605
  H     -10.014030      1.590127      0.539277
  H      -8.414533      3.438251      1.048818
  H      -6.815007      2.827353      7.694491
  H      -9.313589     -0.058526      4.457828
  N      -4.570227      2.056959      3.215512
  H      -4.910358      2.053673      2.238103
88
Coordinates from ORCA-job orca E -6669.464533571668
  N      -3.953474      0.217080      5.473622
  Mo     -4.352275      2.219585      4.898901
  N      -4.786134      2.621078      6.997724
  C      -3.847497      3.259649      7.870788
  C      -2.468271      2.711977      7.463860
  N      -2.341381      2.368250      5.988188
  C      -1.705257      1.028866      5.844260
  C      -2.726168     -0.033008      6.225433
  C      -1.621401      3.435166      5.239097
  C      -2.478497      4.686172      5.216682
  N      -3.865447      4.301329      4.941588
  H      -2.323723     -1.034052      6.002910
  H      -2.926982     -0.002575      7.310796
  H      -1.423884      0.907069      4.788685
  H      -0.793217      0.964641      6.461449
  H      -2.416577      5.228641      6.176566
  H      -2.116994      5.389142      4.449737
  H      -0.635780      3.631433      5.695053
  H      -1.460408      3.061269      4.217633
  H      -4.027804      3.053771      8.939764
  H      -3.896944      4.351693      7.729888
  H      -2.283743      1.784008      8.017162
  H      -1.666543      3.419108      7.722027
  C      -6.951776      1.368563     -1.625129
  C      -6.403762      0.994766     -0.269249
  O      -5.575149      1.723394      0.285866
  C      -6.900822     -0.244713      0.383076
  C      -7.831346     -1.118343     -0.209346
  C      -8.269722     -2.244010      0.480447
  C      -7.780878     -2.503768      1.762383
  F      -8.243715     -3.596021      2.389297
  C      -6.855828     -1.655666      2.391635
  C      -6.243130     -1.895823      3.746978
  O      -6.292259     -2.989760      4.314085
  N      -5.671716     -0.737891      4.246932
  C      -4.603999     -0.849193      4.990116
  C      -6.444428     -0.535723      1.669406
  C      -5.965894     12.215323      0.137187
  C      -6.326636     10.938255      0.865509
  O      -7.360575     10.333384      0.595279
  C      -5.390000     10.432086      1.913995
  C      -4.168942     11.065918      2.201241
  C      -3.319646     10.548451      3.173057
  C      -3.687205      9.385972      3.845050
  F      -2.838793      8.926486      4.791837
  C      -4.896672      8.721021      3.596391
  C      -5.345651      7.457243      4.283503
  O      -6.541954      7.309755      4.560796
  N      -4.332399      6.543164      4.497651
  C      -4.709740      5.284703      4.629662
  C      -5.740111      9.280607      2.632099
  C     -11.409581     -0.676601      0.892423
  C     -10.576489     -0.662330      2.155526
  O     -10.604007     -1.607117      2.938317
  C      -9.724949      0.535771      2.428799
  C      -9.570929      1.577321      1.498532
  C      -8.755142      2.664486      1.785997
  C      -8.091797      2.705430      3.008810
  F      -7.344792      3.799339      3.269407
  C      -8.227779      1.702386      3.975504
  C      -7.696626      1.768383      5.371889
  O      -8.410068      1.400354      6.305778
  N      -6.409391      2.246925      5.603726
  C      -6.079691      2.592049      6.885706
  C      -9.061401      0.624012      3.656717
  H      -8.042738      1.505769     -1.573335
  H      -6.484170      2.299488     -1.960147
  H      -6.761480      0.572464     -2.360095
  H      -8.220611     -0.924870     -1.209566
  H      -8.998327     -2.930322      0.048696
  H      -4.161064     -1.841123      5.198919
  H      -5.743749      0.135893      2.157695
  H      -5.859554     13.052769      0.843293
  H      -5.002371     12.107798     -0.384819
  H      -6.752008     12.445977     -0.589427
  H      -3.872956     11.969209      1.667848
  H      -2.373590     11.029459      3.423346
  H      -5.754028      4.990669      4.469193
  H      -6.695831      8.796503      2.426812
  H     -11.961199     -1.620665      0.842031
  H     -10.773684     -0.575267      0.001153
  H     -12.119510      0.165507      0.884348
  H     -10.090792      1.544917      0.540809
  H      -8.620893      3.488391      1.085579
  H      -6.832942      2.828253      7.647821
  H      -9.202544     -0.168974      4.391761
  N      -4.534653      2.044898      3.177736
  H      -4.858446      2.027898      2.195092
88
Coordinates from ORCA-job orca E -6669.465639900324
  N      -3.962080      0.198997      5.483772
  Mo     -4.356221      2.206438      4.918474
  N      -4.773116      2.614124      7.018955
  C      -3.824446      3.253234      7.880343
  C      -2.452046      2.693670      7.465941
  N      -2.337909      2.348653      5.990288
  C      -1.707095      1.005657      5.841275
  C      -2.729149     -0.054499      6.227213
  C      -1.620460      3.412577      5.233219
  C      -2.474248      4.667695      5.211874
  N      -3.865913      4.287115      4.951154
  H      -2.329179     -1.055213      5.998608
  H      -2.923045     -0.027589      7.313937
  H      -1.432691      0.885951      4.783574
  H      -0.791370      0.938905      6.452790
  H      -2.401649      5.215172      6.167991
  H      -2.115692      5.364726      4.438283
  H      -0.630633      3.605685      5.681042
  H      -1.469894      3.034684      4.211631
  H      -3.997496      3.056361      8.952157
  H      -3.867122      4.344365      7.730895
  H      -2.272953      1.764456      8.018473
  H      -1.642678      3.393575      7.720025
  C      -6.897290      1.332448     -1.646495
  C      -6.394086      0.988560     -0.265384
  O      -5.614131      1.749382      0.315904
  C      -6.871966     -0.264710      0.375528
  C      -7.761442     -1.163478     -0.241708
  C      -8.192470     -2.297249      0.438760
  C      -7.736038     -2.541615      1.735527
  F      -8.196167     -3.639869      2.353217
  C      -6.846924     -1.672497      2.387876
  C      -6.262840     -1.903493      3.758223
  O      -6.300397     -3.001178      4.318479
  N      -5.688725     -0.747445      4.260880
  C      -4.617766     -0.863642      4.999335
  C      -6.442483     -0.543686      1.674628
  C      -6.063948     12.201596      0.160692
  C      -6.403295     10.918552      0.889230
  O      -7.442734     10.313201      0.641366
  C      -5.443280     10.410347      1.915403
  C      -4.216957     11.044441      2.178714
  C      -3.348458     10.525717      3.133138
  C      -3.701628      9.361956      3.811458
  F      -2.836232      8.906182      4.744642
  C      -4.915201      8.696218      3.584624
  C      -5.353458      7.432760      4.280166
  O      -6.543773      7.289739      4.584056
  N      -4.335035      6.524802      4.491566
  C      -4.715058      5.268666      4.642337
  C      -5.776949      9.257130      2.638061
  C     -11.457036     -0.540076      0.902314
  C     -10.673905     -0.519718      2.196848
  O     -10.802287     -1.417343      3.023775
  C      -9.743511      0.624085      2.445427
  C      -9.493096      1.615749      1.481406
  C      -8.612568      2.655903      1.752469
  C      -7.980848      2.699359      2.991775
  F      -7.164161      3.747334      3.233292
  C      -8.208037      1.742737      3.988517
  C      -7.701247      1.822229      5.392384
  O      -8.451068      1.526402      6.323643
  N      -6.400471      2.255271      5.632874
  C      -6.066631      2.602267      6.912793
  C      -9.105349      0.712230      3.686427
  H      -7.994051      1.428640     -1.640874
  H      -6.450195      2.277781     -1.970451
  H      -6.647646      0.538324     -2.365938
  H      -8.127195     -0.981964     -1.253031
  H      -8.892291     -3.001684     -0.011263
  H      -4.175724     -1.857480      5.200865
  H      -5.770053      0.144001      2.180083
  H      -5.931858     13.032989      0.869479
  H      -5.118875     12.096066     -0.393911
  H      -6.872221     12.439898     -0.538675
  H      -3.932562     11.949458      1.641799
  H      -2.398671     11.007966      3.366171
  H      -5.761077      4.972832      4.494322
  H      -6.736810      8.773681      2.451615
  H     -12.082572     -1.438412      0.878922
  H     -10.779972     -0.542746      0.035401
  H     -12.093023      0.354533      0.817154
  H      -9.989463      1.582595      0.511428
  H      -8.405251      3.442459      1.027151
  H      -6.815221      2.859471      7.672646
  H      -9.317942     -0.041741      4.444864
  N      -4.554938      2.029787      3.199608
  H      -4.887288      2.013053      2.219998
88
Coordinates from ORCA-job orca E -6669.465642835779
  N      -3.972181      0.207926      5.477370
  Mo     -4.354569      2.217534      4.904799
  N      -4.773866      2.626425      7.003711
  C      -3.825301      3.268332      7.862961
  C      -2.452302      2.706963      7.449495
  N      -2.339501      2.354747      5.975489
  C      -1.714338      1.007775      5.830065
  C      -2.740146     -0.046421      6.221153
  C      -1.618547      3.413541      5.213779
  C      -2.467274      4.672383      5.191103
  N      -3.860603      4.296493      4.935784
  H      -2.343195     -1.049611      5.998183
  H      -2.934528     -0.012399      7.307511
  H      -1.441585      0.884084      4.772364
  H      -0.798518      0.939571      6.441215
  H      -2.389609      5.220780      6.146019
  H      -2.106961      5.365379      4.414794
  H      -0.627312      3.602729      5.659789
  H      -1.472093      3.031644      4.193072
  H      -3.997476      3.074434      8.935466
  H      -3.867351      4.358971      7.709660
  H      -2.272009      1.781069      8.007051
  H      -1.643355      3.408634      7.699914
  C      -6.872993      1.269582     -1.667192
  C      -6.388612      0.945737     -0.274493
  O      -5.619607      1.717162      0.307356
  C      -6.874804     -0.298227      0.378647
  C      -7.757897     -1.205670     -0.235395
  C      -8.201577     -2.326378      0.458565
  C      -7.763540     -2.549906      1.765524
  F      -8.236418     -3.635341      2.396436
  C      -6.878077     -1.673935      2.413425
  C      -6.306109     -1.888047      3.791425
  O      -6.344625     -2.980153      4.362283
  N      -5.714493     -0.732278      4.273688
  C      -4.638125     -0.852442      5.004224
  C      -6.461563     -0.557846      1.687115
  C      -6.068008     12.232749      0.200451
  C      -6.409511     10.954666      0.936802
  O      -7.453107     10.352755      0.697317
  C      -5.440818     10.439393      1.951184
  C      -4.210718     11.069247      2.206779
  C      -3.336149     10.544443      3.152600
  C      -3.686187      9.378247      3.828909
  F      -2.815039      8.918622      4.754782
  C      -4.902911      8.715928      3.607792
  C      -5.340367      7.450631      4.300980
  O      -6.529912      7.308029      4.607507
  N      -4.323844      6.537004      4.494644
  C      -4.708281      5.281391      4.637965
  C      -5.770517      9.283643      2.671239
  C     -11.468572     -0.550537      0.905184
  C     -10.673173     -0.531310      2.192637
  O     -10.809875     -1.418670      3.029325
  C      -9.733403      0.607383      2.429756
  C      -9.481668      1.591480      1.458325
  C      -8.596321      2.629784      1.720101
  C      -7.964197      2.681272      2.958637
  F      -7.145916      3.729598      3.190471
  C      -8.194143      1.733626      3.963806
  C      -7.693612      1.828038      5.369358
  O      -8.440786      1.522282      6.299550
  N      -6.394646      2.265581      5.612649
  C      -6.066503      2.618722      6.892555
  C      -9.092345      0.701598      3.668964
  H      -7.970173      1.361638     -1.677617
  H      -6.424619      2.212530     -1.997356
  H      -6.611059      0.466857     -2.372759
  H      -8.110261     -1.040530     -1.254268
  H      -8.898039     -3.036135      0.011583
  H      -4.205491     -1.848944      5.212949
  H      -5.792034      0.134494      2.189925
  H      -5.932028     13.066629      0.905641
  H      -5.124769     12.122867     -0.355926
  H      -6.877593     12.470738     -0.497473
  H      -3.928471     11.976146      1.671781
  H      -2.383855     11.024186      3.380542
  H      -5.755777      4.989399      4.496327
  H      -6.733342      8.804006      2.490404
  H     -12.102050     -1.443707      0.890673
  H     -10.800196     -0.561310      0.031360
  H     -12.097734      0.348863      0.822971
  H      -9.980169      1.553551      0.489710
  H      -8.387974      3.410861      0.989029
  H      -6.818198      2.879775      7.648082
  H      -9.308658     -0.044280      4.434287
  N      -4.547783      2.038345      3.185666
  H      -4.879066      2.018702      2.205287
88
Coordinates from ORCA-job orca E -6669.465756861598
  N      -3.965486      0.205455      5.487384
  Mo     -4.349361      2.207866      4.895535
  N      -4.773525      2.635198      6.990296
  C      -3.827231      3.282716      7.848084
  C      -2.452761      2.719771      7.442546
  N      -2.335909      2.355794      5.971437
  C      -1.709511      1.008697      5.839289
  C      -2.735928     -0.042028      6.237538
  C      -1.613319      3.408367      5.203254
  C      -2.462545      4.666238      5.167808
  N      -3.854871      4.287174      4.911468
  H      -2.339035     -1.047632      6.025756
  H      -2.933343      0.002723      7.323021
  H      -1.434641      0.874759      4.783422
  H      -0.794793      0.946250      6.452699
  H      -2.388135      5.224361      6.117513
  H      -2.100441      5.352822      4.386467
  H      -0.623316      3.602214      5.650154
  H      -1.463272      3.018687      4.186011
  H      -4.003087      3.095310      8.921139
  H      -3.868977      4.372469      7.688495
  H      -2.271451      1.798737      8.007873
  H      -1.645577      3.425148      7.688158
  C      -6.877480      1.206361     -1.666093
  C      -6.385938      0.891288     -0.273939
  O      -5.602667      1.658679      0.294155
  C      -6.880063     -0.341271      0.394290
  C      -7.778359     -1.244490     -0.203680
  C      -8.223468     -2.357054      0.502393
  C      -7.772089     -2.576170      1.805493
  F      -8.244938     -3.654819      2.447908
  C      -6.873466     -1.702541      2.438244
  C      -6.289106     -1.910207      3.811580
  O      -6.340995     -2.993775      4.397569
  N      -5.701635     -0.749407      4.286378
  C      -4.628496     -0.860610      5.022245
  C      -6.455879     -0.594931      1.700114
  C      -6.091856     12.281167      0.256422
  C      -6.430222     10.992323      0.975212
  O      -7.478267     10.398154      0.736640
  C      -5.454220     10.459493      1.973514
  C      -4.219654     11.081915      2.225650
  C      -3.337865     10.542529      3.156190
  C      -3.685851      9.369369      3.820976
  F      -2.807733      8.894747      4.732575
  C      -4.906592      8.713485      3.603025
  C      -5.340373      7.441932      4.286514
  O      -6.527359      7.298107      4.602754
  N      -4.322579      6.527868      4.472546
  C      -4.703875      5.271378      4.615074
  C      -5.781444      9.295410      2.681563
  C     -11.469897     -0.508226      0.871551
  C     -10.675384     -0.498836      2.159499
  O     -10.814063     -1.391138      2.990585
  C      -9.728780      0.633252      2.400985
  C      -9.463839      1.613992      1.429855
  C      -8.570509      2.644698      1.694590
  C      -7.943570      2.691828      2.936092
  F      -7.117114      3.733403      3.171418
  C      -8.187020      1.747885      3.941182
  C      -7.691785      1.839327      5.348824
  O      -8.448480      1.550181      6.276590
  N      -6.391203      2.269552      5.595833
  C      -6.066030      2.631465      6.874204
  C      -9.093023      0.723531      3.643306
  H      -7.973528      1.310469     -1.670715
  H      -6.421095      2.140466     -2.009242
  H      -6.628623      0.393512     -2.364676
  H      -8.140050     -1.082820     -1.219824
  H      -8.930351     -3.064020      0.067563
  H      -4.194247     -1.854079      5.241793
  H      -5.775416      0.095850      2.190286
  H      -5.948645     13.103564      0.973616
  H      -5.153232     12.178190     -0.309155
  H      -6.906778     12.531673     -0.430855
  H      -3.939605     11.994642      1.699537
  H      -2.381751     11.016010      3.381157
  H      -5.751252      4.978365      4.473167
  H      -6.747429      8.820860      2.504192
  H     -12.109720     -1.396654      0.853953
  H     -10.801013     -0.521244     -0.001688
  H     -12.092401      0.396205      0.791900
  H      -9.957875      1.579215      0.458767
  H      -8.351572      3.422777      0.963470
  H      -6.819370      2.903413      7.624216
  H      -9.319771     -0.019368      4.408532
  N      -4.535930      2.012552      3.177093
  H      -4.861592      1.983000      2.195181
88
Coordinates from ORCA-job orca E -6669.465804258310
  N      -3.981398      0.207639      5.500044
  Mo     -4.356665      2.203662      4.886059
  N      -4.777157      2.654520      6.977815
  C      -3.827208      3.306159      7.828705
  C      -2.454936      2.735294      7.427164
  N      -2.341062      2.353469      5.960203
  C      -1.722116      1.001838      5.843932
  C      -2.754325     -0.038423      6.254341
  C      -1.613615      3.393221      5.179506
  C      -2.456182      4.654904      5.131953
  N      -3.850950      4.280463      4.882225
  H      -2.363378     -1.048861      6.054932
  H      -2.952092      0.020308      7.339136
  H      -1.448449      0.853595      4.789707
  H      -0.807356      0.941225      6.457505
  H      -2.377358      5.223259      6.075254
  H      -2.091976      5.331402      4.342751
  H      -0.621994      3.586924      5.622960
  H      -1.466575      2.991746      4.166414
  H      -4.002840      3.128202      8.903394
  H      -3.865387      4.394745      7.660586
  H      -2.273742      1.820876      8.003111
  H      -1.646061      3.442295      7.662293
  C      -6.841086      1.166894     -1.688621
  C      -6.362463      0.865448     -0.288868
  O      -5.573651      1.631195      0.273477
  C      -6.869807     -0.356389      0.389597
  C      -7.773280     -1.257038     -0.204491
  C      -8.227778     -2.361954      0.507308
  C      -7.780212     -2.576382      1.812379
  F      -8.261175     -3.648298      2.459960
  C      -6.879008     -1.703910      2.443140
  C      -6.304035     -1.906982      3.821635
  O      -6.359569     -2.988888      4.410385
  N      -5.713791     -0.747239      4.295370
  C      -4.647252     -0.859252      5.040765
  C      -6.451688     -0.603467      1.698956
  C      -6.106733     12.329726      0.312877
  C      -6.441303     11.033322      1.019857
  O      -7.501595     10.454388      0.798698
  C      -5.454932     10.484431      1.999141
  C      -4.212740     11.096267      2.239544
  C      -3.321160     10.542105      3.151844
  C      -3.667456      9.364836      3.810096
  F      -2.779502      8.875826      4.704396
  C      -4.895602      8.719036      3.603393
  C      -5.328147      7.443801      4.280392
  O      -6.512189      7.303852      4.609535
  N      -4.312969      6.524137      4.451764
  C      -4.697460      5.268634      4.593343
  C      -5.779981      9.315877      2.700676
  C     -11.460382     -0.538527      0.877836
  C     -10.682987     -0.507402      2.175809
  O     -10.822543     -1.392653      3.014195
  C      -9.737393      0.627203      2.408877
  C      -9.461681      1.592055      1.424873
  C      -8.566992      2.623836      1.680564
  C      -7.948166      2.687030      2.925400
  F      -7.117281      3.727469      3.150424
  C      -8.200874      1.758406      3.942084
  C      -7.705797      1.863226      5.348779
  O      -8.465897      1.595326      6.279990
  N      -6.401593      2.285505      5.589806
  C      -6.070330      2.656977      6.863758
  C      -9.110130      0.734078      3.654139
  H      -7.935890      1.281622     -1.703765
  H      -6.372741      2.091644     -2.040963
  H      -6.594635      0.342276     -2.374129
  H      -8.131065     -1.099366     -1.222640
  H      -8.938615     -3.066600      0.075228
  H      -4.218000     -1.852948      5.268878
  H      -5.768524      0.086947      2.186187
  H      -5.950209     13.142160      1.038721
  H      -5.176334     12.230054     -0.266639
  H      -6.930097     12.592773     -0.359485
  H      -3.934320     12.012165      1.718157
  H      -2.358712     11.006984      3.367532
  H      -5.747187      4.980234      4.456853
  H      -6.751462      8.849148      2.532889
  H     -12.097054     -1.429240      0.865327
  H     -10.780203     -0.562404      0.013486
  H     -12.084645      0.362579      0.776669
  H      -9.948097      1.543644      0.450536
  H      -8.339299      3.389447      0.939070
  H      -6.820244      2.941616      7.612513
  H      -9.342572      0.001922      4.427996
  N      -4.542904      1.989492      3.169657
  H      -4.866691      1.948397      2.188290
88
Coordinates from ORCA-job orca E -6669.465867288568
  N      -3.986344      0.207709      5.509002
  Mo     -4.352172      2.198396      4.874069
  N      -4.776624      2.670182      6.960800
  C      -3.826408      3.325029      7.809000
  C      -2.454617      2.747045      7.415913
  N      -2.338571      2.350492      5.953073
  C      -1.725024      0.995237      5.851112
  C      -2.762608     -0.036144      6.269435
  C      -1.604830      3.379187      5.163894
  C      -2.441743      4.644227      5.101819
  N      -3.837970      4.273228      4.854222
  H      -2.375901     -1.050527      6.082185
  H      -2.963240      0.035005      7.353029
  H      -1.450223      0.835292      4.798911
  H      -0.811532      0.936710      6.466794
  H      -2.361784      5.223555      6.038366
  H      -2.072792      5.310425      4.306005
  H      -0.613165      3.572730      5.607319
  H      -1.457484      2.966994      4.155127
  H      -4.005863      3.155337      8.884381
  H      -3.859813      4.412510      7.633018
  H      -2.275602      1.838340      8.001421
  H      -1.645061      3.455176      7.645164
  C      -6.835616      1.099847     -1.695270
  C      -6.363494      0.815312     -0.289715
  O      -5.581197      1.590305      0.268922
  C      -6.873506     -0.398755      0.400806
  C      -7.775960     -1.305395     -0.185840
  C      -8.231905     -2.402975      0.536138
  C      -7.786703     -2.604390      1.844091
  F      -8.268762     -3.669813      2.501494
  C      -6.887165     -1.725319      2.468008
  C      -6.316707     -1.914147      3.850326
  O      -6.374603     -2.989826      4.450156
  N      -5.721166     -0.752076      4.311515
  C      -4.656502     -0.860922      5.059955
  C      -6.458069     -0.632529      1.713506
  C      -6.142999     12.358147      0.368136
  C      -6.470838     11.060020      1.075265
  O      -7.534154     10.482789      0.864534
  C      -5.469173     10.501531      2.033478
  C      -4.222329     11.109701      2.258384
  C      -3.317342     10.547948      3.152653
  C      -3.654879      9.366445      3.808012
  F      -2.754169      8.871918      4.686302
  C      -4.887015      8.723359      3.615525
  C      -5.311749      7.444596      4.290621
  O      -6.493506      7.300930      4.626848
  N      -4.297267      6.520951      4.441886
  C      -4.683613      5.265366      4.576733
  C      -5.784603      9.328184      2.731260
  C     -11.456607     -0.508772      0.852138
  C     -10.673546     -0.483396      2.146874
  O     -10.817189     -1.366609      2.986710
  C      -9.728193      0.651094      2.381305
  C      -9.446035      1.611889      1.395201
  C      -8.550569      2.642832      1.651365
  C      -7.937610      2.709326      2.898939
  F      -7.106038      3.749323      3.124140
  C      -8.196508      1.784607      3.917657
  C      -7.706012      1.892489      5.325800
  O      -8.470313      1.631695      6.255515
  N      -6.399416      2.305550      5.569120
  C      -6.069302      2.682815      6.841682
  C      -9.106832      0.761272      3.629289
  H      -7.930551      1.211807     -1.718627
  H      -6.367197      2.021372     -2.056014
  H      -6.583032      0.267636     -2.369295
  H      -8.131943     -1.157761     -1.206139
  H      -8.942188     -3.111737      0.109897
  H      -4.232280     -1.853975      5.299903
  H      -5.776235      0.063409      2.194692
  H      -5.977722     13.167936      1.095039
  H      -5.219392     12.259954     -0.222293
  H      -6.974066     12.624201     -0.293481
  H      -3.951055     12.029065      1.739304
  H      -2.351147     11.010217      3.356798
  H      -5.734816      4.980401      4.443088
  H      -6.759316      8.863947      2.575989
  H     -12.100451     -1.394371      0.842324
  H     -10.780180     -0.538466     -0.015071
  H     -12.073650      0.397508      0.753088
  H      -9.927364      1.560588      0.418538
  H      -8.317650      3.404980      0.907943
  H      -6.819539      2.981967      7.584440
  H      -9.344270      0.032383      4.404740
  N      -4.530632      1.966631      3.158903
  H      -4.847720      1.914368      2.176151
88
Coordinates from ORCA-job orca E -6669.465898276868
  N      -3.989474      0.210783      5.508384
  Mo     -4.347328      2.200462      4.860801
  N      -4.774222      2.682065      6.944092
  C      -3.824285      3.343210      7.787777
  C      -2.452694      2.760304      7.399042
  N      -2.336373      2.353633      5.939295
  C      -1.726088      0.995047      5.845765
  C      -2.766234     -0.031213      6.270109
  C      -1.600105      3.375582      5.143009
  C      -2.433860      4.642962      5.073904
  N      -3.831870      4.274492      4.833770
  H      -2.380772     -1.047138      6.088420
  H      -2.967173      0.046007      7.353173
  H      -1.451167      0.829388      4.794492
  H      -0.813002      0.938538      6.462231
  H      -2.349498      5.228548      6.005863
  H      -2.064130      5.301674      4.272274
  H      -0.607739      3.567999      5.584957
  H      -1.455572      2.955917      4.136859
  H      -4.003643      3.180597      8.864289
  H      -3.856296      4.429417      7.604052
  H      -2.275994      1.855582      7.990982
  H      -1.642239      3.468560      7.624868
  C      -6.800893      1.039696     -1.711658
  C      -6.334870      0.764530     -0.302152
  O      -5.544207      1.535951      0.249450
  C      -6.866551     -0.431335      0.404000
  C      -7.785379     -1.329451     -0.170567
  C      -8.265326     -2.405700      0.567861
  C      -7.827377     -2.594878      1.880208
  F      -8.334779     -3.637609      2.554552
  C      -6.909230     -1.725679      2.490875
  C      -6.340206     -1.907246      3.874473
  O      -6.422610     -2.971564      4.491304
  N      -5.732587     -0.746387      4.322762
  C      -4.666307     -0.857183      5.068999
  C      -6.457150     -0.653656      1.720603
  C      -6.167897     12.370101      0.406042
  C      -6.495799     11.079414      1.126977
  O      -7.557674     10.497990      0.919787
  C      -5.485034     10.518929      2.074408
  C      -4.236579     11.127113      2.290629
  C      -3.323774     10.562094      3.175106
  C      -3.653745      9.376727      3.828072
  F      -2.744924      8.882134      4.697917
  C      -4.887083      8.733309      3.642701
  C      -5.306258      7.449293      4.311987
  O      -6.485295      7.304233      4.657316
  N      -4.291536      6.524442      4.446113
  C      -4.680247      5.268730      4.575509
  C      -5.792406      9.342433      2.769916
  C     -11.470872     -0.491148      0.847146
  C     -10.686967     -0.465831      2.141695
  O     -10.864027     -1.323947      3.000912
  C      -9.718145      0.651564      2.362805
  C      -9.411072      1.590551      1.362889
  C      -8.498038      2.608574      1.608597
  C      -7.894828      2.685807      2.860090
  F      -7.048267      3.715610      3.075263
  C      -8.177983      1.782371      3.891973
  C      -7.698142      1.907390      5.302368
  O      -8.471602      1.667659      6.230177
  N      -6.389964      2.311829      5.549802
  C      -6.065640      2.702544      6.819448
  C      -9.103159      0.769962      3.613047
  H      -7.894387      1.165643     -1.737808
  H      -6.319330      1.950770     -2.082584
  H      -6.558911      0.196164     -2.375695
  H      -8.137639     -1.190519     -1.193377
  H      -8.990477     -3.105656      0.152114
  H      -4.249193     -1.851368      5.316487
  H      -5.761385      0.034843      2.192052
  H      -6.001640     13.186528      1.125231
  H      -5.245086     12.266237     -0.184247
  H      -6.999526     12.630493     -0.257106
  H      -3.970488     12.049017      1.773234
  H      -2.356619     11.024960      3.373296
  H      -5.732255      4.984445      4.448038
  H      -6.768057      8.878082      2.621171
  H     -12.140726     -1.357589      0.852241
  H     -10.795902     -0.556058     -0.019538
  H     -12.060563      0.430905      0.731732
  H      -9.886131      1.532045      0.383723
  H      -8.245899      3.353909      0.854307
  H      -6.818222      3.014284      7.554674
  H      -9.360237      0.058999      4.398810
  N      -4.520103      1.957961      3.146369
  H      -4.833968      1.897632      2.162506
88
Coordinates from ORCA-job orca E -6669.465983015242
  N      -3.997311      0.215325      5.511471
  Mo     -4.345983      2.201089      4.846602
  N      -4.774928      2.698997      6.925721
  C      -3.824376      3.364190      7.765647
  C      -2.453770      2.775227      7.382756
  N      -2.337145      2.356738      5.926408
  C      -1.731189      0.995360      5.844344
  C      -2.775353     -0.023887      6.276432
  C      -1.597421      3.370178      5.122266
  C      -2.427367      4.639890      5.042442
  N      -3.826878      4.273642      4.807187
  H      -2.393077     -1.042640      6.103997
  H      -2.976976      0.063502      7.358588
  H      -1.455938      0.820065      4.794734
  H      -0.818842      0.941107      6.462054
  H      -2.340314      5.233984      5.968754
  H      -2.055979      5.289965      4.234505
  H      -0.604668      3.563039      5.563101
  H      -1.453772      2.941805      4.119651
  H      -4.005299      3.209788      8.843114
  H      -3.853408      4.449089      7.573954
  H      -2.279517      1.874861      7.982106
  H      -1.642005      3.483531      7.603692
  C      -6.803667      0.972865     -1.713239
  C      -6.344240      0.714264     -0.298515
  O      -5.556929      1.492551      0.248343
  C      -6.873522     -0.477143      0.416632
  C      -7.786387     -1.384673     -0.152566
  C      -8.266479     -2.454287      0.595406
  C      -7.834504     -2.627359      1.912011
  F      -8.341978     -3.664021      2.595608
  C      -6.921493     -1.748796      2.516960
  C      -6.358135     -1.912504      3.904906
  O      -6.437460     -2.970717      4.532550
  N      -5.745680     -0.748189      4.337404
  C      -4.678367     -0.854336      5.082827
  C      -6.469008     -0.684249      1.737055
  C      -6.172310     12.424400      0.466900
  C      -6.497077     11.122510      1.168765
  O      -7.567523     10.553718      0.970944
  C      -5.482652     10.547556      2.103541
  C      -4.230121     11.147936      2.318195
  C      -3.313815     10.568853      3.189829
  C      -3.644715      9.377840      3.831964
  F      -2.731767      8.868656      4.688967
  C      -4.882152      8.742186      3.648204
  C      -5.301761      7.452100      4.305246
  O      -6.477294      7.310490      4.663942
  N      -4.287345      6.525375      4.429775
  C      -4.676521      5.269413      4.556482
  C      -5.790631      9.364927      2.788357
  C     -11.457551     -0.492298      0.825343
  C     -10.680584     -0.458555      2.123880
  O     -10.847688     -1.322349      2.979412
  C      -9.713192      0.660415      2.343153
  C      -9.408032      1.598502      1.341905
  C      -8.497107      2.618801      1.586077
  C      -7.893747      2.698899      2.837321
  F      -7.049726      3.731074      3.051041
  C      -8.175547      1.796680      3.870746
  C      -7.697318      1.925594      5.281357
  O      -8.471273      1.686802      6.209010
  N      -6.388465      2.327668      5.529168
  C      -6.065833      2.725522      6.797159
  C      -9.098509      0.781861      3.593264
  H      -7.897422      1.094668     -1.746352
  H      -6.323386      1.881617     -2.091217
  H      -6.555356      0.123174     -2.367038
  H      -8.134448     -1.257933     -1.178396
  H      -8.987358     -3.161158      0.183959
  H      -4.265298     -1.847394      5.341359
  H      -5.777743      0.011589      2.204169
  H      -5.996404     13.227896      1.198351
  H      -5.255721     12.327938     -0.134175
  H      -7.009721     12.698716     -0.183221
  H      -3.963384     12.074412      1.809362
  H      -2.343090     11.024981      3.386223
  H      -5.729462      4.986348      4.434567
  H      -6.769324      8.906440      2.641320
  H     -12.121193     -1.363478      0.828820
  H     -10.777984     -0.554177     -0.037979
  H     -12.053100      0.425367      0.705175
  H      -9.882920      1.537466      0.362793
  H      -8.246792      3.363563      0.830644
  H      -6.818921      3.047067      7.527625
  H      -9.354529      0.071868      4.380248
  N      -4.513849      1.945214      3.133516
  H      -4.823904      1.876498      2.148833
88
Coordinates from ORCA-job orca E -6669.466038855762
  N      -4.009224      0.219800      5.523611
  Mo     -4.349614      2.196656      4.832053
  N      -4.778756      2.724748      6.904741
  C      -3.825429      3.390388      7.741699
  C      -2.458013      2.788300      7.369479
  N      -2.339635      2.353073      5.918249
  C      -1.741675      0.988185      5.854195
  C      -2.792359     -0.018892      6.295205
  C      -1.590975      3.351579      5.104861
  C      -2.411863      4.624820      5.006225
  N      -3.812449      4.265168      4.770317
  H      -2.416481     -1.042172      6.135954
  H      -2.996375      0.081967      7.375786
  H      -1.464595      0.798351      4.807685
  H      -0.831167      0.935362      6.474737
  H      -2.324489      5.232046      5.924168
  H      -2.033255      5.261885      4.191067
  H      -0.598590      3.544549      5.546644
  H      -1.445624      2.910089      4.108167
  H      -4.011717      3.246473      8.819681
  H      -3.845662      4.473867      7.541246
  H      -2.290855      1.893378      7.979038
  H      -1.642347      3.494037      7.584321
  C      -6.778133      0.914509     -1.727842
  C      -6.326526      0.671065     -0.308004
  O      -5.532185      1.447753      0.230733
  C      -6.866149     -0.508480      0.418780
  C      -7.783692     -1.415137     -0.143892
  C      -8.269852     -2.476386      0.611815
  C      -7.839801     -2.641503      1.929975
  F      -8.351751     -3.671431      2.620149
  C      -6.924841     -1.761569      2.530194
  C      -6.368548     -1.914863      3.922503
  O      -6.454425     -2.967216      4.559109
  N      -5.754583     -0.749175      4.349129
  C      -4.693044     -0.851761      5.103018
  C      -6.465463     -0.705923      1.741975
  C      -6.209031     12.464391      0.537980
  C      -6.521070     11.153182      1.227981
  O      -7.599048     10.592291      1.050134
  C      -5.490473     10.567322      2.138021
  C      -4.232929     11.163423      2.334956
  C      -3.301967     10.575209      3.184446
  C      -3.623766      9.379739      3.822609
  F      -2.696334      8.860947      4.658031
  C      -4.865358      8.747884      3.656195
  C      -5.276344      7.454828      4.311851
  O      -6.450943      7.306370      4.671584
  N      -4.263242      6.523615      4.414431
  C      -4.654552      5.267447      4.528481
  C      -5.788244      9.379143      2.817698
  C     -11.457272     -0.494923      0.820214
  C     -10.690249     -0.446585      2.123902
  O     -10.860218     -1.303127      2.986109
  C      -9.719127      0.670758      2.334161
  C      -9.399272      1.590628      1.320795
  C      -8.482746      2.608184      1.555907
  C      -7.887985      2.703271      2.810276
  F      -7.036713      3.731674      3.015053
  C      -8.184473      1.819566      3.855072
  C      -7.710804      1.963550      5.265581
  O      -8.492239      1.751861      6.193476
  N      -6.397252      2.351109      5.511146
  C      -6.069946      2.761134      6.774332
  C      -9.113666      0.808018      3.587081
  H      -7.870411      1.045722     -1.768408
  H      -6.287856      1.813178     -2.116271
  H      -6.534353      0.053468     -2.368247
  H      -8.129030     -1.295007     -1.171441
  H      -8.993043     -3.183376      0.204761
  H      -4.284566     -1.843487      5.373702
  H      -5.771696     -0.008783      2.203603
  H      -6.019006     13.257782      1.276998
  H      -5.303959     12.375937     -0.081709
  H      -7.058832     12.747719     -0.091896
  H      -3.974014     12.094000      1.829672
  H      -2.326828     11.027637      3.367059
  H      -5.709728      4.991469      4.407736
  H      -6.770435      8.923452      2.685792
  H     -12.125884     -1.361998      0.831685
  H     -10.771160     -0.574393     -0.036317
  H     -12.046231      0.424577      0.681264
  H      -9.866415      1.516778      0.338748
  H      -8.220638      3.338431      0.790505
  H      -6.820080      3.099125      7.500323
  H      -9.379442      0.111311      4.382680
  N      -4.513903      1.918527      3.121956
  H      -4.818017      1.836996      2.136970
88
Coordinates from ORCA-job orca E -6669.466112905518
  N      -4.023958      0.221341      5.535638
  Mo     -4.348135      2.192076      4.820945
  N      -4.775644      2.744756      6.888099
  C      -3.819092      3.418193      7.715369
  C      -2.454839      2.805224      7.349743
  N      -2.339620      2.350723      5.904035
  C      -1.749897      0.981048      5.857757
  C      -2.807860     -0.014950      6.310733
  C      -1.586837      3.335033      5.076485
  C      -2.401265      4.612373      4.963095
  N      -3.805797      4.257599      4.740190
  H      -2.438037     -1.042245      6.163406
  H      -3.011140      0.099808      7.390053
  H      -1.473202      0.776187      4.814009
  H      -0.840010      0.930946      6.479464
  H      -2.305681      5.232807      5.871317
  H      -2.022854      5.235034      4.136707
  H      -0.592556      3.527974      5.513989
  H      -1.445869      2.879886      4.085309
  H      -4.004742      3.289175      8.795334
  H      -3.835363      4.499002      7.500778
  H      -2.291653      1.917337      7.970491
  H      -1.635588      3.509662      7.555017
  C      -6.754167      0.855693     -1.735408
  C      -6.307439      0.623451     -0.312200
  O      -5.510196      1.400906      0.221228
  C      -6.860412     -0.542689      0.426072
  C      -7.783233     -1.447747     -0.130488
  C      -8.282142     -2.496051      0.634933
  C      -7.859561     -2.649734      1.956853
  F      -8.383690     -3.667026      2.656532
  C      -6.940034     -1.770722      2.551407
  C      -6.391938     -1.913392      3.948239
  O      -6.486959     -2.958939      4.594621
  N      -5.771849     -0.747897      4.366249
  C      -4.714162     -0.850004      5.125466
  C      -6.467849     -0.728005      1.753478
  C      -6.232901     12.501479      0.598825
  C      -6.544603     11.188587      1.285717
  O      -7.625654     10.632069      1.113110
  C      -5.504039     10.588340      2.174807
  C      -4.241356     11.177118      2.361069
  C      -3.301684     10.576095      3.191720
  C      -3.619773      9.375072      3.821196
  F      -2.683582      8.843824      4.638870
  C      -4.866023      8.750024      3.664749
  C      -5.273361      7.451528      4.311952
  O      -6.442364      7.305709      4.690573
  N      -4.260493      6.518293      4.398507
  C      -4.652535      5.262095      4.513524
  C      -5.797491      9.394009      2.845568
  C     -11.445692     -0.489078      0.805621
  C     -10.682886     -0.434774      2.111553
  O     -10.867151     -1.278438      2.983447
  C      -9.708921      0.680800      2.317827
  C      -9.378407      1.589454      1.297807
  C      -8.458139      2.604598      1.528726
  C      -7.870589      2.708885      2.785748
  F      -7.013930      3.733864      2.985622
  C      -8.178137      1.836735      3.837105
  C      -7.709719      1.990403      5.248354
  O      -8.497216      1.796294      6.174927
  N      -6.393999      2.369149      5.495075
  C      -6.066375      2.790292      6.754555
  C      -9.111080      0.827552      3.573335
  H      -7.845501      0.993552     -1.779735
  H      -6.257053      1.747059     -2.131782
  H      -6.514721     -0.013346     -2.366567
  H      -8.122543     -1.336625     -1.161056
  H      -9.009520     -3.201423      0.232585
  H      -4.312764     -1.841615      5.406968
  H      -5.770339     -0.031288      2.210290
  H      -6.030835     13.290001      1.339822
  H      -5.334933     12.411522     -0.030986
  H      -7.087871     12.792517     -0.020450
  H      -3.985396     12.112179      1.862611
  H      -2.322422     11.022777      3.366283
  H      -5.709552      4.987131      4.405440
  H      -6.783295      8.943700      2.722362
  H     -12.122290     -1.349822      0.823476
  H     -10.757167     -0.583911     -0.047404
  H     -12.025645      0.434304      0.654798
  H      -9.839556      1.508108      0.313526
  H      -8.187400      3.325663      0.757652
  H      -6.815127      3.144792      7.474079
  H      -9.384046      0.138863      4.373455
  N      -4.510130      1.893435      3.113877
  H      -4.811455      1.799129      2.129366
88
Coordinates from ORCA-job orca E -6669.466141697404
  N      -4.026415      0.226978      5.538936
  Mo     -4.348526      2.193572      4.803967
  N      -4.782612      2.768129      6.862357
  C      -3.828148      3.447279      7.687312
  C      -2.464671      2.822793      7.336045
  N      -2.342944      2.356356      5.895405
  C      -1.754817      0.984906      5.861424
  C      -2.813207     -0.006267      6.316928
  C      -1.583759      3.330416      5.062207
  C      -2.392934      4.608507      4.929307
  N      -3.797020      4.256880      4.704906
  H      -2.442182     -1.034072      6.175685
  H      -3.019465      0.113317      7.395096
  H      -1.473393      0.774632      4.820027
  H      -0.847697      0.938482      6.487495
  H      -2.299195      5.240906      5.829193
  H      -2.006669      5.217710      4.096530
  H      -0.591491      3.525096      5.503196
  H      -1.439429      2.862986      4.077162
  H      -4.020010      3.330619      8.767563
  H      -3.837474      4.525524      7.460043
  H      -2.313086      1.938799      7.964865
  H      -1.641985      3.522817      7.542915
  C      -6.748170      0.787563     -1.735714
  C      -6.302852      0.568085     -0.310106
  O      -5.508954      1.352542      0.217900
  C      -6.859566     -0.588726      0.440065
  C      -7.782882     -1.498396     -0.108179
  C      -8.291660     -2.531928      0.670692
  C      -7.878568     -2.666907      1.997809
  F      -8.414965     -3.668349      2.710762
  C      -6.955642     -1.785186      2.583116
  C      -6.412102     -1.911877      3.983351
  O      -6.521437     -2.945373      4.646379
  N      -5.782983     -0.745439      4.385556
  C      -4.721841     -0.845192      5.140745
  C      -6.473719     -0.757344      1.771919
  C      -6.255164     12.557047      0.676820
  C      -6.558014     11.236630      1.353219
  O      -7.640735     10.680974      1.187408
  C      -5.503137     10.621079      2.214510
  C      -4.236588     11.204791      2.390880
  C      -3.286449     10.589013      3.198790
  C      -3.597160      9.378751      3.815055
  F      -2.650974      8.837013      4.614070
  C      -4.846982      8.758512      3.666733
  C      -5.252338      7.452119      4.299539
  O      -6.416051      7.308905      4.695083
  N      -4.239099      6.519008      4.376889
  C      -4.636741      5.264105      4.487112
  C      -5.788003      9.417288      2.871094
  C     -11.453039     -0.486216      0.788531
  C     -10.683083     -0.433475      2.090481
  O     -10.875908     -1.267957      2.969402
  C      -9.700031      0.675501      2.289295
  C      -9.364679      1.577173      1.264492
  C      -8.438986      2.588709      1.490230
  C      -7.853696      2.698530      2.747621
  F      -6.994640      3.722110      2.942961
  C      -8.166924      1.833467      3.803878
  C      -7.706532      1.999461      5.216334
  O      -8.498980      1.814407      6.140557
  N      -6.391968      2.378450      5.467175
  C      -6.071931      2.815548      6.723085
  C      -9.102367      0.825747      3.544383
  H      -7.840255      0.920416     -1.781423
  H      -6.254050      1.678100     -2.138651
  H      -6.505531     -0.085835     -2.359848
  H      -8.116708     -1.401475     -1.141978
  H      -9.020774     -3.239598      0.275398
  H      -4.325136     -1.836083      5.431417
  H      -5.774693     -0.058225      2.222375
  H      -6.035685     13.335071      1.423864
  H      -5.370353     12.472762      0.028145
  H      -7.120895     12.859076      0.078113
  H      -3.985983     12.147383      1.903835
  H      -2.304272     11.031921      3.366517
  H      -5.694337      4.993072      4.377503
  H      -6.776631      8.971064      2.756266
  H     -12.142420     -1.336832      0.815103
  H     -10.769441     -0.597974     -0.066777
  H     -12.019164      0.444486      0.632702
  H      -9.825365      1.492465      0.280393
  H      -8.164950      3.304577      0.715368
  H      -6.824246      3.179862      7.433917
  H      -9.380105      0.143462      4.348272
  N      -4.505209      1.877114      3.099887
  H      -4.802058      1.772178      2.114558
88
Coordinates from ORCA-job orca E -6669.466219890151
  N      -4.038605      0.228660      5.546942
  Mo     -4.337199      2.191160      4.791800
  N      -4.774058      2.785095      6.844833
  C      -3.817168      3.470236      7.662317
  C      -2.457002      2.834460      7.319081
  N      -2.336746      2.351729      5.883481
  C      -1.758777      0.975082      5.865849
  C      -2.827275     -0.003948      6.330296
  C      -1.571535      3.312759      5.039516
  C      -2.373213      4.595914      4.893971
  N      -3.781465      4.251037      4.681310
  H      -2.463553     -1.035944      6.200917
  H      -3.034277      0.129491      7.406644
  H      -1.476255      0.750805      4.827686
  H      -0.853554      0.929242      6.494700
  H      -2.271020      5.238816      5.785349
  H      -1.986377      5.191644      4.051655
  H      -0.577838      3.505457      5.478101
  H      -1.430787      2.834103      4.059348
  H      -4.009846      3.367690      8.743861
  H      -3.821566      4.545662      7.422013
  H      -2.311627      1.956256      7.957402
  H      -1.630241      3.531593      7.519360
  C      -6.731479      0.726090     -1.736095
  C      -6.292456      0.517909     -0.306910
  O      -5.488634      1.297410      0.213768
  C      -6.862815     -0.624940      0.453966
  C      -7.793253     -1.531905     -0.086773
  C      -8.315726     -2.550503      0.702901
  C      -7.908870     -2.673181      2.033171
  F      -8.458447     -3.659618      2.756921
  C      -6.978293     -1.794197      2.610338
  C      -6.438655     -1.908959      4.012782
  O      -6.561043     -2.932144      4.689375
  N      -5.801235     -0.742553      4.401465
  C      -4.742211     -0.841912      5.159460
  C      -6.483229     -0.781466      1.788761
  C      -6.303457     12.565073      0.729836
  C      -6.594369     11.241632      1.405474
  O      -7.682278     10.690104      1.261700
  C      -5.526202     10.624755      2.249313
  C      -4.257496     11.208994      2.407753
  C      -3.295094     10.592522      3.200343
  C      -3.595701      9.381197      3.819397
  F      -2.637122      8.838957      4.603180
  C      -4.847112      8.760173      3.688748
  C      -5.242261      7.453156      4.327099
  O      -6.404269      7.303541      4.725135
  N      -4.229824      6.517072      4.380443
  C      -4.627626      5.261265      4.484300
  C      -5.800375      9.419566      2.908121
  C     -11.436616     -0.456604      0.755470
  C     -10.684473     -0.393786      2.067384
  O     -10.893748     -1.217839      2.952358
  C      -9.687763      0.703633      2.262319
  C      -9.332773      1.590164      1.231008
  C      -8.395604      2.591803      1.453415
  C      -7.818245      2.707017      2.714022
  F      -6.947038      3.721021      2.905626
  C      -8.150565      1.856680      3.776487
  C      -7.698002      2.031201      5.190530
  O      -8.498542      1.864423      6.111195
  N      -6.380604      2.396426      5.446020
  C      -6.062314      2.843295      6.698988
  C      -9.097123      0.858584      3.520213
  H      -7.822057      0.869620     -1.785533
  H      -6.227230      1.606904     -2.147511
  H      -6.496545     -0.156449     -2.350268
  H      -8.122398     -1.444245     -1.122868
  H      -9.050938     -3.255260      0.313769
  H      -4.354941     -1.832698      5.462930
  H      -5.778753     -0.084298      2.233577
  H      -6.069284     13.339448      1.476241
  H      -5.431136     12.483335      0.064142
  H      -7.180091     12.870540      0.149016
  H      -4.014668     12.152575      1.918688
  H      -2.310824     11.035891      3.354062
  H      -5.686853      4.990984      4.388272
  H      -6.790388      8.972963      2.807484
  H     -12.134484     -1.300230      0.783790
  H     -10.742376     -0.586460     -0.088629
  H     -11.991633      0.477119      0.579339
  H      -9.787489      1.501477      0.244467
  H      -8.106709      3.295959      0.673212
  H      -6.814251      3.223664      7.401810
  H      -9.389279      0.187716      4.328591
  N      -4.486922      1.859331      3.089758
  H      -4.778755      1.744574      2.103663
88
Coordinates from ORCA-job orca E -6669.466286006671
  N      -4.055429      0.237160      5.558301
  Mo     -4.345954      2.189338      4.778438
  N      -4.781361      2.811030      6.825182
  C      -3.821667      3.497631      7.638568
  C      -2.464989      2.850969      7.305243
  N      -2.344195      2.352243      5.874872
  C      -1.773597      0.973877      5.875365
  C      -2.848767      0.006795      6.348742
  C      -1.571981      3.299410      5.022569
  C      -2.366338      4.584316      4.860762
  N      -3.775669      4.244689      4.647415
  H      -2.491617     -1.029141      6.233533
  H      -3.057768      0.155086      7.422810
  H      -1.489396      0.734363      4.841102
  H      -0.870272      0.929948      6.507100
  H      -2.263799      5.237281      5.744964
  H      -1.974606      5.168979      4.012793
  H      -0.578574      3.493539      5.461534
  H      -1.429378      2.809540      4.048263
  H      -4.018204      3.406979      8.720475
  H      -3.819379      4.570861      7.388596
  H      -2.325355      1.978441      7.952881
  H      -1.634671      3.545758      7.498807
  C      -6.708715      0.679520     -1.746965
  C      -6.277199      0.483655     -0.313745
  O      -5.469133      1.262251      0.201682
  C      -6.854355     -0.650768      0.454321
  C      -7.782685     -1.560854     -0.084503
  C      -8.305371     -2.576954      0.708141
  C      -7.901364     -2.693253      2.039694
  F      -8.448321     -3.679843      2.765136
  C      -6.976428     -1.808241      2.616797
  C      -6.445660     -1.912233      4.023783
  O      -6.564540     -2.933462      4.704090
  N      -5.811494     -0.742999      4.409106
  C      -4.759175     -0.836111      5.176887
  C      -6.480374     -0.798618      1.791695
  C      -6.311019     12.629865      0.810468
  C      -6.599681     11.296003      1.465983
  O      -7.695237     10.757044      1.334357
  C      -5.521001     10.656186      2.278847
  C      -4.244051     11.226524      2.420808
  C      -3.272043     10.590419      3.185344
  C      -3.572677      9.374146      3.793936
  F      -2.603607      8.809568      4.548491
  C      -4.831863      8.766198      3.679470
  C      -5.226475      7.455722      4.310005
  O      -6.385748      7.307087      4.716564
  N      -4.216985      6.514930      4.351157
  C      -4.616008      5.259441      4.450364
  C      -5.794154      9.444066      2.925515
  C     -11.432584     -0.487878      0.760430
  C     -10.687863     -0.407334      2.075266
  O     -10.895625     -1.224128      2.967253
  C      -9.698042      0.697451      2.262791
  C      -9.339965      1.572284      1.222760
  C      -8.405723      2.578413      1.437325
  C      -7.832485      2.708397      2.698525
  F      -6.962223      3.724861      2.882596
  C      -8.167389      1.869963      3.768810
  C      -7.714284      2.056907      5.181000
  O      -8.516167      1.904769      6.102923
  N      -6.394106      2.415423      5.431638
  C      -6.070328      2.871423      6.680070
  C      -9.113249      0.869035      3.521314
  H      -7.797871      0.829265     -1.803997
  H      -6.197201      1.552658     -2.164857
  H      -6.475594     -0.210513     -2.350641
  H      -8.107373     -1.479161     -1.122473
  H      -9.037128     -3.285536      0.319634
  H      -4.374425     -1.824267      5.491914
  H      -5.779367     -0.096947      2.235252
  H      -6.054110     13.387566      1.566474
  H      -5.453608     12.553541      0.124610
  H      -7.197114     12.953938      0.254604
  H      -4.001951     12.174440      1.939971
  H      -2.280423     11.021837      3.325194
  H      -5.677130      4.994648      4.355907
  H      -6.789898      9.007477      2.838221
  H     -12.127891     -1.333023      0.795810
  H     -10.732748     -0.626715     -0.077254
  H     -11.989531      0.442068      0.569147
  H      -9.790343      1.470841      0.235293
  H      -8.114236      3.273352      0.650032
  H      -6.819164      3.260801      7.381233
  H      -9.406210      0.206053      4.335933
  N      -4.495192      1.838885      3.080081
  H      -4.784057      1.714340      2.094907
88
Coordinates from ORCA-job orca E -6669.466347099037
  N      -4.063958      0.242478      5.567293
  Mo     -4.343845      2.188171      4.764600
  N      -4.784816      2.833426      6.802473
  C      -3.825789      3.527040      7.610599
  C      -2.470499      2.870190      7.290444
  N      -2.346226      2.355263      5.866259
  C      -1.780616      0.974474      5.883086
  C      -2.860138      0.015882      6.362609
  C      -1.567919      3.289787      5.005508
  C      -2.356452      4.576061      4.825372
  N      -3.766878      4.240221      4.614649
  H      -2.505390     -1.022083      6.258413
  H      -3.071737      0.175271      7.434519
  H      -1.493191      0.724220      4.852241
  H      -0.879804      0.933996      6.518670
  H      -2.252566      5.240304      5.700787
  H      -1.959644      5.146737      3.970246
  H      -0.575283      3.485289      5.445483
  H      -1.424298      2.787235      4.037812
  H      -4.026418      3.451216      8.692879
  H      -3.818031      4.596813      7.346351
  H      -2.338881      2.004076      7.948134
  H      -1.637346      3.562483      7.480752
  C      -6.697641      0.618574     -1.745806
  C      -6.268353      0.434303     -0.310406
  O      -5.461071      1.217231      0.199678
  C      -6.853247     -0.688673      0.468593
  C      -7.783344     -1.601108     -0.063296
  C      -8.315638     -2.603883      0.739838
  C      -7.919461     -2.704929      2.075038
  F      -8.476817     -3.677975      2.810786
  C      -6.991624     -1.818357      2.644968
  C      -6.466152     -1.908901      4.054977
  O      -6.595419     -2.920500      4.747550
  N      -5.824734     -0.739615      4.428008
  C      -4.773176     -0.830818      5.197241
  C      -6.486189     -0.821862      1.809531
  C      -6.338698     12.679555      0.893740
  C      -6.619403     11.338589      1.538095
  O      -7.720056     10.806133      1.423155
  C      -5.525956     10.681810      2.317024
  C      -4.242812     11.242944      2.438212
  C      -3.258455     10.591251      3.173330
  C      -3.552961      9.369098      3.773516
  F      -2.570797      8.790856      4.500150
  C      -4.818245      8.769955      3.678799
  C      -5.209873      7.455075      4.302469
  O      -6.363956      7.308191      4.724119
  N      -4.202366      6.511817      4.328896
  C      -4.605084      5.257370      4.426424
  C      -5.791895      9.463139      2.954030
  C     -11.428149     -0.485528      0.736840
  C     -10.687058     -0.400615      2.053547
  O     -10.904761     -1.208443      2.951345
  C      -9.690480      0.698808      2.236781
  C      -9.324533      1.565430      1.192576
  C      -8.385167      2.567529      1.403753
  C      -7.815638      2.702609      2.666066
  F      -6.941103      3.715931      2.846538
  C      -8.158485      1.872220      3.740489
  C      -7.710933      2.067615      5.153399
  O      -8.517947      1.928254      6.072850
  N      -6.391351      2.425758      5.406995
  C      -6.072706      2.895930      6.651544
  C      -9.108404      0.874496      3.496003
  H      -7.786808      0.768209     -1.804859
  H      -6.185188      1.488152     -2.170260
  H      -6.464540     -0.276561     -2.341994
  H      -8.102586     -1.531298     -1.103835
  H      -9.049476     -3.313405      0.356923
  H      -4.394754     -1.817854      5.523339
  H      -5.783722     -0.118588      2.248247
  H      -6.056944     13.424788      1.653242
  H      -5.500172     12.607757      0.184501
  H      -7.236619     13.017226      0.365647
  H      -4.005176     12.195484      1.964242
  H      -2.261438     11.015159      3.296831
  H      -5.667253      4.995338      4.336675
  H      -6.792020      9.033723      2.883110
  H     -12.131238     -1.324152      0.776479
  H     -10.726339     -0.637798     -0.097025
  H     -11.975736      0.447651      0.535441
  H      -9.772377      1.460319      0.204384
  H      -8.087693      3.256026      0.612980
  H      -6.823830      3.295480      7.344487
  H      -9.407690      0.218202      4.313699
  N      -4.487301      1.818837      3.069834
  H      -4.772167      1.683006      2.084790
88
Coordinates from ORCA-job orca E -6669.466390087676
  N      -4.070321      0.248993      5.572819
  Mo     -4.348725      2.189035      4.753492
  N      -4.791323      2.850405      6.785887
  C      -3.832261      3.549487      7.589250
  C      -2.478110      2.886363      7.276797
  N      -2.351887      2.361924      5.856047
  C      -1.786822      0.981297      5.883391
  C      -2.866831      0.026883      6.369083
  C      -1.572093      3.289840      4.989668
  C      -2.359275      4.574975      4.799855
  N      -3.769929      4.239665      4.591263
  H      -2.512275     -1.011829      6.271728
  H      -3.078330      0.193847      7.439768
  H      -1.497749      0.724325      4.854604
  H      -0.886972      0.944617      6.520649
  H      -2.255471      5.244401      5.671038
  H      -1.961028      5.138434      3.940614
  H      -0.580142      3.488553      5.429760
  H      -1.427048      2.779954      4.026055
  H      -4.034370      3.485092      8.671992
  H      -3.822299      4.616601      7.314395
  H      -2.352484      2.023433      7.939728
  H      -1.642542      3.576115      7.465700
  C      -6.692773      0.562559     -1.743061
  C      -6.267612      0.391960     -0.304730
  O      -5.456568      1.175869      0.197934
  C      -6.856069     -0.722501      0.483574
  C      -7.784931     -1.639565     -0.042583
  C      -8.321607     -2.633331      0.768847
  C      -7.930426     -2.721158      2.106417
  F      -8.491754     -3.685847      2.850070
  C      -7.002504     -1.830820      2.670251
  C      -6.478321     -1.910324      4.081421
  O      -6.612003     -2.914946      4.783206
  N      -5.834505     -0.739230      4.444436
  C      -4.781489     -0.826140      5.212271
  C      -6.493631     -0.842742      1.826972
  C      -6.350073     12.736031      0.974201
  C      -6.629295     11.389265      1.606933
  O      -7.736895     10.868102      1.508391
  C      -5.524649     10.710781      2.350616
  C      -4.232106     11.255042      2.445006
  C      -3.237401     10.582672      3.146687
  C      -3.531421      9.357535      3.741181
  F      -2.536311      8.759141      4.432831
  C      -4.806690      8.775188      3.673667
  C      -5.201134      7.459402      4.294577
  O      -6.352546      7.317396      4.725083
  N      -4.199191      6.510380      4.311555
  C      -4.606685      5.257463      4.410596
  C      -5.789319      9.488422      2.980994
  C     -11.414769     -0.490640      0.710440
  C     -10.684974     -0.397646      2.032936
  O     -10.915210     -1.196023      2.936027
  C      -9.683392      0.697503      2.214886
  C      -9.309009      1.557901      1.168396
  C      -8.366828      2.557428      1.379359
  C      -7.802941      2.696472      2.643822
  F      -6.926824      3.708344      2.824626
  C      -8.153260      1.871338      3.719967
  C      -7.712399      2.073245      5.134113
  O      -8.522277      1.932599      6.050840
  N      -6.393483      2.430112      5.391665
  C      -6.079060      2.907756      6.634299
  C      -9.105412      0.875908      3.475588
  H      -7.781703      0.712822     -1.805516
  H      -6.178213      1.427426     -2.174550
  H      -6.459396     -0.338321     -2.330486
  H      -8.100283     -1.580132     -1.084938
  H      -9.055275     -3.345590      0.390696
  H      -4.404431     -1.811287      5.545593
  H      -5.792349     -0.136109      2.262226
  H      -6.035695     13.466517      1.735127
  H      -5.534363     12.664034      0.238756
  H      -7.258555     13.092729      0.477596
  H      -3.994306     12.209374      1.974701
  H      -2.231927     10.992314      3.247767
  H      -5.669676      4.997240      4.324240
  H      -6.796123      9.071985      2.930452
  H     -12.122434     -1.325427      0.751251
  H     -10.705472     -0.654227     -0.114922
  H     -11.955851      0.443071      0.495016
  H      -9.753141      1.450291      0.178791
  H      -8.063444      3.241421      0.586836
  H      -6.832105      3.309522      7.323881
  H      -9.411067      0.224323      4.294695
  N      -4.491959      1.808097      3.061406
  H      -4.777128      1.666132      2.076935
88
Coordinates from ORCA-job orca E -6669.466423053585
  N      -4.081072      0.257243      5.581273
  Mo     -4.345236      2.189621      4.739290
  N      -4.796754      2.872152      6.763312
  C      -3.839401      3.577161      7.563159
  C      -2.485359      2.907546      7.264183
  N      -2.354488      2.366594      5.849961
  C      -1.795471      0.984013      5.894943
  C      -2.882236      0.039490      6.386062
  C      -1.567651      3.282197      4.976663
  C      -2.349046      4.568891      4.770461
  N      -3.760787      4.237030      4.561330
  H      -2.531756     -1.001844      6.303351
  H      -3.098566      0.220976      7.453420
  H      -1.502705      0.714398      4.870403
  H      -0.898864      0.950176      6.536930
  H      -2.245335      5.246629      5.635111
  H      -1.945364      5.121414      3.906716
  H      -0.576560      3.481846      5.418323
  H      -1.420815      2.761338      4.019210
  H      -4.046433      3.526283      8.645686
  H      -3.825253      4.640955      7.275751
  H      -2.364388      2.051985      7.937529
  H      -1.648975      3.597431      7.448705
  C      -6.671464      0.510265     -1.749389
  C      -6.255988      0.354107     -0.306437
  O      -5.447759      1.142859      0.193326
  C      -6.851603     -0.750710      0.490042
  C      -7.778812     -1.671916     -0.031956
  C      -8.321103     -2.656911      0.786384
  C      -7.936648     -2.732500      2.126710
  F      -8.502860     -3.689344      2.876977
  C      -7.010066     -1.838343      2.686431
  C      -6.490758     -1.906590      4.100070
  O      -6.631514     -2.903863      4.810955
  N      -5.843890     -0.734584      4.454264
  C      -4.795426     -0.818245      5.228804
  C      -6.496265     -0.858429      1.836396
  C      -6.364447     12.788505      1.056955
  C      -6.638388     11.433870      1.674942
  O      -7.751942     10.922220      1.595135
  C      -5.522471     10.737946      2.384978
  C      -4.223667     11.270462      2.454937
  C      -3.218405     10.581619      3.124850
  C      -3.508651      9.352228      3.712641
  F      -2.501480      8.738575      4.372405
  C      -4.790610      8.781404      3.669576
  C      -5.184181      7.463195      4.286191
  O      -6.332617      7.322653      4.725265
  N      -4.186422      6.509744      4.289375
  C      -4.596569      5.257576      4.384512
  C      -5.782717      9.510851      3.007810
  C     -11.422092     -0.503356      0.701755
  C     -10.696066     -0.402632      2.025813
  O     -10.931687     -1.193209      2.934387
  C      -9.690658      0.689922      2.201824
  C      -9.312424      1.542407      1.150308
  C      -8.367063      2.539984      1.355732
  C      -7.803076      2.684472      2.619539
  F      -6.923297      3.694096      2.793913
  C      -8.156436      1.866951      3.700495
  C      -7.714271      2.075302      5.113439
  O      -8.524976      1.945626      6.030998
  N      -6.396077      2.437453      5.368192
  C      -6.084012      2.927505      6.606829
  C      -9.112636      0.873914      3.461836
  H      -7.759799      0.660721     -1.820778
  H      -6.153299      1.370396     -2.186187
  H      -6.434670     -0.396591     -2.326114
  H      -8.088336     -1.622575     -1.076593
  H      -9.053688     -3.371931      0.411340
  H      -4.425017     -1.801512      5.574897
  H      -5.796740     -0.148553      2.269277
  H      -6.026273     13.504726      1.821256
  H      -5.567486     12.722620      0.300697
  H      -7.282005     13.159360      0.588180
  H      -3.988684     12.227847      1.989402
  H      -2.207142     10.981317      3.205919
  H      -5.660519      5.000150      4.301076
  H      -6.793922      9.103409      2.975948
  H     -12.133519     -1.334704      0.746901
  H     -10.710439     -0.676639     -0.119665
  H     -11.958288      0.430875      0.476701
  H      -9.756204      1.430217      0.161051
  H      -8.060844      3.218038      0.559267
  H      -6.839235      3.333933      7.291285
  H      -9.421648      0.229018      4.284983
  N      -4.479551      1.792917      3.050145
  H      -4.759609      1.641874      2.065479
88
Coordinates from ORCA-job orca E -6669.466436972990
  N      -4.089240      0.264490      5.583610
  Mo     -4.349904      2.189454      4.726059
  N      -4.796255      2.889280      6.745884
  C      -3.835504      3.595236      7.540864
  C      -2.483607      2.921126      7.243600
  N      -2.356540      2.369811      5.832898
  C      -1.801243      0.986459      5.887753
  C      -2.890188      0.049566      6.388888
  C      -1.568757      3.276897      4.951724
  C      -2.347233      4.564191      4.738050
  N      -3.760248      4.234548      4.533301
  H      -2.543834     -0.993789      6.314935
  H      -3.104180      0.241116      7.455007
  H      -1.511788      0.707149      4.864932
  H      -0.903206      0.954968      6.527831
  H      -2.240347      5.248358      5.597375
  H      -1.943772      5.109981      3.869856
  H      -0.576266      3.477139      5.390024
  H      -1.424731      2.749074      3.997633
  H      -4.041544      3.550503      8.623855
  H      -3.818620      4.657630      7.248478
  H      -2.361723      2.070209      7.922661
  H      -1.645873      3.611316      7.420756
  C      -6.661842      0.433228     -1.755280
  C      -6.250408      0.295325     -0.309350
  O      -5.439156      1.086452      0.181618
  C      -6.857152     -0.792644      0.501544
  C      -7.791431     -1.712805     -0.009508
  C      -8.341075     -2.683953      0.820259
  C      -7.956972     -2.746474      2.161285
  F      -8.529424     -3.690806      2.922509
  C      -7.025195     -1.851406      2.710951
  C      -6.508430     -1.905260      4.125983
  O      -6.652096     -2.894451      4.847553
  N      -5.855692     -0.732663      4.467009
  C      -4.807212     -0.812213      5.241715
  C      -6.503922     -0.885649      1.849417
  C      -6.368736     12.832353      1.123665
  C      -6.645514     11.472647      1.729183
  O      -7.761908     10.967275      1.650834
  C      -5.527636     10.763942      2.423449
  C      -4.226552     11.291329      2.489485
  C      -3.218397     10.591553      3.143164
  C      -3.507883      9.356013      3.718005
  F      -2.497514      8.732740      4.363598
  C      -4.791740      8.789149      3.677861
  C      -5.183225      7.464093      4.280876
  O      -6.330148      7.318296      4.722853
  N      -4.186251      6.510238      4.271091
  C      -4.595104      5.257814      4.361686
  C      -5.787026      9.529828      3.032962
  C     -11.404180     -0.504324      0.683005
  C     -10.687899     -0.392895      2.011418
  O     -10.931960     -1.174407      2.925555
  C      -9.679615      0.697598      2.183613
  C      -9.287275      1.534819      1.125068
  C      -8.338270      2.529778      1.326498
  C      -7.784219      2.686571      2.593380
  F      -6.899594      3.693286      2.763190
  C      -8.151780      1.884413      3.681052
  C      -7.717248      2.104493      5.094496
  O      -8.533669      1.988162      6.008740
  N      -6.397022      2.456292      5.352261
  C      -6.083177      2.951779      6.588202
  C      -9.111993      0.894322      3.446357
  H      -7.748733      0.590876     -1.832417
  H      -6.135865      1.282165     -2.203892
  H      -6.430099     -0.484141     -2.317164
  H      -8.099952     -1.673690     -1.054867
  H      -9.078720     -3.398048      0.453526
  H      -4.439556     -1.793110      5.597249
  H      -5.799594     -0.175129      2.273397
  H      -6.025775     13.539996      1.893842
  H      -5.574145     12.770589      0.364560
  H      -7.286495     13.210902      0.661451
  H      -3.992504     12.253809      2.034157
  H      -2.205372     10.987262      3.221706
  H      -5.659907      5.002370      4.282224
  H      -6.799532      9.125368      3.004195
  H     -12.119630     -1.331902      0.731547
  H     -10.687120     -0.689539     -0.130984
  H     -11.934354      0.430019      0.444026
  H      -9.722395      1.412347      0.133168
  H      -8.021007      3.195767      0.524223
  H      -6.836202      3.368689      7.268760
  H      -9.431246      0.260918      4.274527
  N      -4.486169      1.779185      3.040059
  H      -4.766414      1.620263      2.056923
88
Coordinates from ORCA-job orca E -6669.466451191909
  N      -4.089749      0.269583      5.584640
  Mo     -4.353908      2.191536      4.720525
  N      -4.803111      2.895446      6.738198
  C      -3.844079      3.605308      7.531503
  C      -2.490270      2.933638      7.236214
  N      -2.361451      2.378223      5.827165
  C      -1.803326      0.996159      5.885955
  C      -2.890143      0.058563      6.389726
  C      -1.575146      3.284250      4.943592
  C      -2.355565      4.569688      4.728021
  N      -3.768096      4.237665      4.523651
  H      -2.541794     -0.984295      6.318383
  H      -3.104324      0.252607      7.455322
  H      -1.513404      0.715075      4.863706
  H      -0.905225      0.968014      6.526121
  H      -2.249879      5.254209      5.587048
  H      -1.952768      5.115085      3.859344
  H      -0.582858      3.486936      5.381208
  H      -1.430725      2.754254      3.990776
  H      -4.049980      3.563662      8.614644
  H      -3.829713      4.666873      7.235785
  H      -2.366645      2.084957      7.917681
  H      -1.654153      3.626132      7.411899
  C      -6.653384      0.403839     -1.760707
  C      -6.249715      0.278905     -0.311254
  O      -5.440935      1.074366      0.176727
  C      -6.855548     -0.806237      0.504276
  C      -7.787282     -1.730605     -0.003939
  C      -8.337423     -2.698143      0.829669
  C      -7.955470     -2.753561      2.171609
  F      -8.528476     -3.694445      2.936735
  C      -7.024673     -1.855609      2.718166
  C      -6.507639     -1.905199      4.133350
  O      -6.651560     -2.892218      4.857825
  N      -5.855482     -0.731464      4.471240
  C      -4.806937     -0.808572      5.246284
  C      -6.503660     -0.892665      1.853051
  C      -6.354107     12.866010      1.159966
  C      -6.637596     11.506912      1.763936
  O      -7.760144     11.013480      1.697898
  C      -5.518304     10.783895      2.440985
  C      -4.211410     11.298263      2.492462
  C      -3.201949     10.585387      3.129710
  C      -3.495763      9.349655      3.702236
  F      -2.482393      8.715202      4.331807
  C      -4.785615      8.795047      3.675503
  C      -5.183621      7.470253      4.275270
  O      -6.330898      7.329568      4.718203
  N      -4.191487      6.511854      4.263170
  C      -4.603060      5.260282      4.354057
  C      -5.781503      9.549094      3.047212
  C     -11.407380     -0.517076      0.677768
  C     -10.694105     -0.403048      2.007657
  O     -10.942829     -1.180625      2.923879
  C      -9.684593      0.686434      2.179324
  C      -9.292629      1.523832      1.120685
  C      -8.344406      2.519454      1.322226
  C      -7.790426      2.676412      2.589028
  F      -6.908250      3.685001      2.758971
  C      -8.156112      1.872923      3.676390
  C      -7.720220      2.092326      5.089573
  O      -8.534809      1.971576      6.004891
  N      -6.401600      2.451328      5.345961
  C      -6.090243      2.950367      6.581093
  C      -9.115947      0.882482      3.441718
  H      -7.740000      0.559722     -1.845082
  H      -6.125586      1.249319     -2.213949
  H      -6.417636     -0.518106     -2.313452
  H      -8.094274     -1.696918     -1.049931
  H      -9.074033     -3.414557      0.465362
  H      -4.438793     -1.788333      5.604380
  H      -5.800672     -0.179569      2.275121
  H      -5.993061     13.567179      1.927760
  H      -5.570474     12.798015      0.390156
  H      -7.273606     13.256194      0.711091
  H      -3.973895     12.260742      2.038956
  H      -2.184191     10.970863      3.197191
  H      -5.667934      5.004911      4.274468
  H      -6.798051      9.154290      3.028864
  H     -12.123203     -1.344402      0.726179
  H     -10.688192     -0.703873     -0.134031
  H     -11.936773      0.416807      0.435606
  H      -9.728014      1.401549      0.128893
  H      -8.028087      3.186255      0.520240
  H      -6.845465      3.363201      7.261714
  H      -9.434870      0.248937      4.269915
  N      -4.488700      1.777151      3.035428
  H      -4.769521      1.615885      2.052848
88
Coordinates from ORCA-job orca E -6669.466453697670
  N      -4.091044      0.271626      5.587835
  Mo     -4.352027      2.190842      4.716417
  N      -4.805486      2.901886      6.730591
  C      -3.847265      3.614217      7.522426
  C      -2.492663      2.941983      7.231224
  N      -2.362160      2.380821      5.824732
  C      -1.804566      0.998548      5.889182
  C      -2.892198      0.062966      6.394958
  C      -1.574665      3.282952      4.937933
  C      -2.353977      4.568449      4.716790
  N      -3.766969      4.236701      4.513189
  H      -2.544014     -0.980211      6.327710
  H      -3.107710      0.260840      7.459599
  H      -1.513925      0.713953      4.868075
  H      -0.907091      0.972586      6.530283
  H      -2.247972      5.256140      5.573184
  H      -1.950018      5.110204      3.846415
  H      -0.582290      3.486162      5.375068
  H      -1.430737      2.748859      3.987335
  H      -4.054339      3.576649      8.605481
  H      -3.832260      4.674665      7.222657
  H      -2.369059      2.096245      7.916383
  H      -1.657227      3.635706      7.405183
  C      -6.645832      0.383108     -1.763413
  C      -6.244403      0.263498     -0.312781
  O      -5.436633      1.060917      0.173550
  C      -6.853078     -0.817368      0.506502
  C      -7.787434     -1.740889      0.001510
  C      -8.341122     -2.703302      0.838660
  C      -7.960145     -2.754559      2.181084
  F      -8.537398     -3.689780      2.949990
  C      -7.026168     -1.857947      2.724336
  C      -6.509642     -1.904354      4.139814
  O      -6.658332     -2.887858      4.868100
  N      -5.856111     -0.730593      4.474846
  C      -4.809221     -0.806624      5.252349
  C      -6.501539     -0.900053      1.855676
  C      -6.357620     12.882271      1.188312
  C      -6.641269     11.522947      1.791895
  O      -7.767114     11.035576      1.737584
  C      -5.518306     10.792604      2.454981
  C      -4.209248     11.302381      2.497230
  C      -3.197188     10.583906      3.123972
  C      -3.490315      9.347179      3.695040
  F      -2.473794      8.709107      4.315717
  C      -4.781976      8.796256      3.675706
  C      -5.180374      7.470017      4.272154
  O      -6.326890      7.329578      4.717359
  N      -4.189248      6.510877      4.256382
  C      -4.602362      5.259760      4.345956
  C      -5.780144      9.556154      3.058159
  C     -11.409947     -0.520452      0.674213
  C     -10.700640     -0.400786      2.005753
  O     -10.955229     -1.171779      2.925949
  C      -9.686822      0.685262      2.173647
  C      -9.290412      1.516365      1.111701
  C      -8.339659      2.510166      1.310294
  C      -7.787387      2.671363      2.577280
  F      -6.903034      3.678651      2.743607
  C      -8.156476      1.873301      3.667640
  C      -7.721861      2.097404      5.080429
  O      -8.536187      1.976302      5.995942
  N      -6.402952      2.455517      5.337019
  C      -6.092275      2.957098      6.571373
  C      -9.119106      0.884833      3.435925
  H      -7.731813      0.542399     -1.849932
  H      -6.114514      1.224628     -2.220111
  H      -6.412571     -0.542335     -2.311382
  H      -8.093921     -1.710330     -1.044729
  H      -9.080009     -3.418667      0.476879
  H      -4.443248     -1.785698      5.614524
  H      -5.796197     -0.187763      2.275259
  H      -5.984321     13.579629      1.953688
  H      -5.583029     12.811960      0.409649
  H      -7.280002     13.278369      0.750711
  H      -3.972349     12.265916      2.045681
  H      -2.177725     10.965942      3.185017
  H      -5.667387      5.004882      4.267130
  H      -6.798014      9.164491      3.046651
  H     -12.129410     -1.344494      0.725135
  H     -10.688700     -0.715160     -0.133980
  H     -11.934390      0.414153      0.424396
  H      -9.724329      1.390787      0.119692
  H      -8.020192      3.172422      0.505819
  H      -6.848171      3.372396      7.249742
  H      -9.441505      0.256399      4.266658
  N      -4.482766      1.769945      3.032571
  H      -4.761813      1.604801      2.050282
88
Coordinates from ORCA-job orca E -6669.466456934353
  N      -4.087124      0.273519      5.584860
  Mo     -4.352894      2.191923      4.713923
  N      -4.807168      2.901206      6.728432
  C      -3.849712      3.614425      7.520367
  C      -2.493756      2.945520      7.227640
  N      -2.362821      2.385329      5.820755
  C      -1.801987      1.004444      5.884194
  C      -2.887094      0.066403      6.390649
  C      -1.577827      3.289547      4.933842
  C      -2.359658      4.573658      4.715235
  N      -3.772174      4.239548      4.511566
  H      -2.537206     -0.976119      6.322256
  H      -3.101787      0.263040      7.455701
  H      -1.512011      0.720866      4.862609
  H      -0.903733      0.980308      6.524232
  H      -2.254514      5.259956      5.572849
  H      -1.957420      5.118114      3.845747
  H      -0.585237      3.493966      5.369936
  H      -1.434217      2.756656      3.982531
  H      -4.055944      3.575353      8.603531
  H      -3.837130      4.675277      7.221825
  H      -2.367339      2.099631      7.912170
  H      -1.659945      3.641249      7.401387
  C      -6.647688      0.368240     -1.764591
  C      -6.244670      0.251664     -0.314107
  O      -5.436341      1.049890      0.169839
  C      -6.854391     -0.826021      0.508625
  C      -7.792174     -1.748090      0.007415
  C      -8.346662     -2.707419      0.847591
  C      -7.963099     -2.756769      2.189325
  F      -8.541175     -3.688839      2.961395
  C      -7.025921     -1.861227      2.728877
  C      -6.507803     -1.905086      4.143740
  O      -6.653016     -2.888350      4.873083
  N      -5.853287     -0.730967      4.475515
  C      -4.804749     -0.805678      5.250891
  C      -6.500432     -0.906610      1.857247
  C      -6.346353     12.891640      1.192817
  C      -6.635610     11.534529      1.798897
  O      -7.763857     11.052570      1.747174
  C      -5.514885     10.799685      2.460842
  C      -4.204420     11.305987      2.504095
  C      -3.194763     10.584444      3.130998
  C      -3.491418      9.348086      3.701061
  F      -2.476759      8.707824      4.322557
  C      -4.784141      8.799838      3.679495
  C      -5.185755      7.472764      4.271941
  O      -6.334707      7.331574      4.710816
  N      -4.195230      6.513071      4.257916
  C      -4.608489      5.261764      4.345167
  C      -5.779992      9.563048      3.062091
  C     -11.408823     -0.521896      0.668124
  C     -10.702653     -0.401888      2.001250
  O     -10.959606     -1.172415      2.921164
  C      -9.687840      0.683054      2.170476
  C      -9.289545      1.514123      1.109194
  C      -8.338285      2.507175      1.309221
  C      -7.787085      2.667318      2.576797
  F      -6.902452      3.674234      2.744459
  C      -8.157433      1.868768      3.666322
  C      -7.722430      2.090130      5.079351
  O      -8.537238      1.971019      5.994699
  N      -6.404161      2.450981      5.335579
  C      -6.094139      2.953713      6.569600
  C      -9.120995      0.881511      3.433283
  H      -7.732973      0.532538     -1.850365
  H      -6.112994      1.205529     -2.224978
  H      -6.419487     -0.560229     -2.309519
  H      -8.100585     -1.718798     -1.038279
  H      -9.088117     -3.421604      0.488773
  H      -4.437624     -1.784130      5.613545
  H      -5.792289     -0.195186      2.273573
  H      -5.968087     13.588496      1.956162
  H      -5.573461     12.815551      0.412943
  H      -7.267482     13.291579      0.756101
  H      -3.964869     12.269343      2.053651
  H      -2.174343     10.963740      3.193310
  H      -5.673204      5.006185      4.264802
  H      -6.798642      9.173382      3.049388
  H     -12.128335     -1.345942      0.717524
  H     -10.685604     -0.716632     -0.138232
  H     -11.932729      0.412681      0.416905
  H      -9.722379      1.389226      0.116611
  H      -8.017356      3.169450      0.505354
  H      -6.850817      3.366662      7.248545
  H      -9.444472      0.252881      4.263449
  N      -4.483166      1.771208      3.029872
  H      -4.762739      1.606376      2.047838
88
Coordinates from ORCA-job orca E -6669.466458305685
  N      -4.090634      0.276105      5.585562
  Mo     -4.353364      2.192254      4.709824
  N      -4.806222      2.907335      6.722436
  C      -3.847883      3.621556      7.512592
  C      -2.493033      2.950024      7.221312
  N      -2.363232      2.385898      5.815919
  C      -1.804375      1.004398      5.883230
  C      -2.891032      0.069304      6.392233
  C      -1.577241      3.286646      4.926335
  C      -2.357274      4.571367      4.704574
  N      -3.770376      4.238925      4.502351
  H      -2.542810     -0.973947      6.326302
  H      -3.105379      0.268647      7.456854
  H      -1.514857      0.717357      4.862520
  H      -0.906088      0.980983      6.523223
  H      -2.250695      5.260461      5.559825
  H      -1.954647      5.112836      3.833340
  H      -0.584168      3.490655      5.361501
  H      -1.434832      2.751116      3.976308
  H      -4.054116      3.584673      8.595836
  H      -3.833917      4.681825      7.212117
  H      -2.367313      2.105859      7.908097
  H      -1.658360      3.645317      7.392782
  C      -6.644626      0.348038     -1.766838
  C      -6.245806      0.238470     -0.314708
  O      -5.435785      1.036349      0.166941
  C      -6.856110     -0.836820      0.510721
  C      -7.794782     -1.759303      0.012032
  C      -8.350809     -2.715283      0.855029
  C      -7.967688     -2.760890      2.196995
  F      -8.546540     -3.690237      2.971702
  C      -7.029508     -1.864839      2.734002
  C      -6.512484     -1.904455      4.149317
  O      -6.659090     -2.885138      4.881858
  N      -5.857339     -0.729797      4.477881
  C      -4.809556     -0.803133      5.254274
  C      -6.502416     -0.913820      1.859585
  C      -6.346740     12.899331      1.206017
  C      -6.636408     11.541805      1.810950
  O      -7.764909     11.060524      1.759292
  C      -5.515710     10.805515      2.471320
  C      -4.205757     11.313066      2.518714
  C      -3.196587     10.590686      3.145342
  C      -3.493099      9.352292      3.710943
  F      -2.479291      8.710738      4.332666
  C      -4.784924      8.802592      3.684776
  C      -5.185493      7.472920      4.271771
  O      -6.334420      7.329032      4.709831
  N      -4.193739      6.514169      4.254589
  C      -4.606377      5.262362      4.338676
  C      -5.780585      9.566647      3.068005
  C     -11.408387     -0.521380      0.667672
  C     -10.699279     -0.401444      1.999188
  O     -10.956836     -1.169656      2.920858
  C      -9.684027      0.683465      2.166095
  C      -9.284363      1.511181      1.102756
  C      -8.332440      2.504073      1.300597
  C      -7.782333      2.667761      2.568178
  F      -6.897421      3.674854      2.733796
  C      -8.154514      1.873042      3.659823
  C      -7.721296      2.098478      5.072732
  O      -8.537751      1.984498      5.987243
  N      -6.402528      2.456859      5.329561
  C      -6.092860      2.963649      6.561943
  C      -9.118361      0.885565      3.428835
  H      -7.729126      0.515302     -1.856389
  H      -6.106262      1.181082     -2.230490
  H      -6.418050     -0.584242     -2.305882
  H      -8.103039     -1.732578     -1.033773
  H      -9.093065     -3.429638      0.498238
  H      -4.443537     -1.780914      5.619872
  H      -5.793118     -0.201998      2.273192
  H      -5.968748     13.595461      1.970159
  H      -5.573444     12.823680      0.426437
  H      -7.267699     13.299781      0.769428
  H      -3.966344     12.277987      2.071562
  H      -2.176657     10.970772      3.210906
  H      -5.671324      5.007573      4.259449
  H      -6.798692      9.175626      3.052483
  H     -12.129836     -1.343534      0.719638
  H     -10.687320     -0.719150     -0.139808
  H     -11.930392      0.414233      0.416155
  H      -9.716496      1.383652      0.110199
  H      -8.010357      3.163680      0.494997
  H      -6.849109      3.381835      7.238171
  H      -9.442796      0.259568      4.260614
  N      -4.483050      1.766039      3.026968
  H      -4.761649      1.597938      2.045278
88
Coordinates from ORCA-job orca E -6669.466460179927
  N      -4.090002      0.275386      5.585630
  Mo     -4.354989      2.192183      4.712017
  N      -4.807172      2.905462      6.725344
  C      -3.848719      3.619315      7.515738
  C      -2.493907      2.948150      7.223558
  N      -2.364246      2.385624      5.817482
  C      -1.804382      1.004553      5.883214
  C      -2.890096      0.068208      6.391519
  C      -1.578960      3.287673      4.928710
  C      -2.359584      4.572067      4.708642
  N      -3.772457      4.239265      4.505705
  H      -2.541223     -0.974725      6.323998
  H      -3.104127      0.265976      7.456485
  H      -1.514890      0.718800      4.862130
  H      -0.905924      0.981085      6.522979
  H      -2.253511      5.259944      5.564931
  H      -1.957199      5.114963      3.838198
  H      -0.585902      3.491796      5.363880
  H      -1.436434      2.753271      3.978068
  H      -4.054607      3.581667      8.599024
  H      -3.835105      4.679788      7.215982
  H      -2.368278      2.103136      7.909298
  H      -1.659142      3.643149      7.395793
  C      -6.646803      0.358484     -1.766682
  C      -6.245277      0.245120     -0.315598
  O      -5.437868      1.044642      0.167683
  C      -6.854413     -0.832044      0.508310
  C      -7.792311     -1.754601      0.008335
  C      -8.347188     -2.712512      0.849890
  C      -7.963743     -2.759930      2.191676
  F      -8.541459     -3.691156      2.964985
  C      -7.026426     -1.863806      2.730043
  C      -6.509026     -1.905518      4.145228
  O      -6.654817     -2.887648      4.876002
  N      -5.855593     -0.730589      4.476257
  C      -4.807920     -0.804046      5.252808
  C      -6.500499     -0.910755      1.857069
  C      -6.343263     12.896557      1.198481
  C      -6.633615     11.539560      1.804196
  O      -7.761966     11.058041      1.751326
  C      -5.513772     10.804019      2.466802
  C      -4.203831     11.311453      2.515198
  C      -3.195372     10.589395      3.143327
  C      -3.492627      9.351410      3.709425
  F      -2.479441      8.709838      4.332137
  C      -4.784633      8.802074      3.682804
  C      -5.186251      7.473113      4.270757
  O      -6.335840      7.329738      4.707120
  N      -4.194487      6.514176      4.256178
  C      -4.607790      5.262542      4.340850
  C      -5.779573      9.565837      3.064467
  C     -11.408701     -0.524866      0.671307
  C     -10.700368     -0.403841      2.003124
  O     -10.956322     -1.173144      2.924329
  C      -9.685744      0.681686      2.169949
  C      -9.287309      1.510349      1.106880
  C      -8.336009      2.503829      1.304763
  C      -7.785195      2.667117      2.572100
  F      -6.900810      3.674658      2.737792
  C      -8.156171      1.871513      3.663467
  C      -7.722600      2.096633      5.076316
  O      -8.538238      1.979685      5.991183
  N      -6.403931      2.455503      5.332969
  C      -6.094010      2.960547      6.565960
  C      -9.119379      0.883420      3.432433
  H      -7.731622      0.525221     -1.853599
  H      -6.110108      1.193486     -2.228764
  H      -6.420559     -0.571944     -2.308992
  H      -8.100781     -1.726496     -1.037377
  H      -9.088766     -3.427060      0.492075
  H      -4.440719     -1.782050      5.616644
  H      -5.791767     -0.198900      2.271619
  H      -5.964764     13.593060      1.962022
  H      -5.570128     12.819900      0.418823
  H      -7.264038     13.297165      0.761638
  H      -3.963698     12.275737      2.067024
  H      -2.175374     10.969210      3.209361
  H      -5.672762      5.008077      4.260820
  H      -6.797692      9.174909      3.048127
  H     -12.128643     -1.348369      0.722856
  H     -10.686811     -0.721176     -0.135804
  H     -11.932362      0.409776      0.419665
  H      -9.720084      1.383228      0.114546
  H      -8.014885      3.164206      0.499403
  H      -6.850133      3.377186      7.243270
  H      -9.442955      0.256765      4.264054
  N      -4.485675      1.767554      3.028873
  H      -4.765156      1.600810      2.047190
88
Coordinates from ORCA-job orca E -6669.466460943984
  N      -4.088081      0.274706      5.585518
  Mo     -4.352762      2.191449      4.711457
  N      -4.806609      2.904840      6.724374
  C      -3.848576      3.619217      7.514821
  C      -2.493412      2.948263      7.223399
  N      -2.362967      2.385576      5.817462
  C      -1.802622      1.004606      5.883419
  C      -2.888140      0.067873      6.391491
  C      -1.577725      3.287812      4.928751
  C      -2.358649      4.572012      4.708238
  N      -3.771417      4.238820      4.504740
  H      -2.538882     -0.974934      6.324024
  H      -3.102408      0.265656      7.456396
  H      -1.512717      0.718942      4.862412
  H      -0.904362      0.981548      6.523482
  H      -2.253129      5.259859      5.564589
  H      -1.955956      5.114938      3.837979
  H      -0.584837      3.492224      5.364173
  H      -1.434861      2.753252      3.978248
  H      -4.054797      3.581951      8.598056
  H      -3.835103      4.679545      7.214595
  H      -2.368092      2.103364      7.909314
  H      -1.658825      3.643360      7.396067
  C      -6.645728      0.356125     -1.765254
  C      -6.243650      0.242231     -0.314360
  O      -5.433982      1.039965      0.168116
  C      -6.854683     -0.833308      0.510325
  C      -7.794742     -1.754236      0.011378
  C      -8.351017     -2.710628      0.853771
  C      -7.966927     -2.758134      2.195391
  F      -8.546443     -3.687443      2.969699
  C      -7.027666     -1.863478      2.732770
  C      -6.509610     -1.905110      4.147708
  O      -6.655607     -2.886940      4.878845
  N      -5.854818     -0.730606      4.477626
  C      -4.806502     -0.804510      5.253325
  C      -6.500316     -0.911960      1.858984
  C      -6.346822     12.895735      1.200118
  C      -6.636200     11.538597      1.805960
  O      -7.764263     11.056324      1.753289
  C      -5.515628     10.803463      2.467809
  C      -4.206014     11.311667      2.516096
  C      -3.196959     10.589934      3.143672
  C      -3.493239      9.351390      3.709139
  F      -2.479476      8.710380      4.331451
  C      -4.784983      8.801258      3.682570
  C      -5.186141      7.471903      4.270078
  O      -6.335664      7.327974      4.706305
  N      -4.193759      6.513497      4.255919
  C      -4.607129      5.261818      4.340258
  C      -5.780497      9.564828      3.064918
  C     -11.409464     -0.520795      0.667550
  C     -10.702354     -0.400122      2.000085
  O     -10.960364     -1.168605      2.921406
  C      -9.686068      0.683782      2.167324
  C      -9.285797      1.511750      1.104388
  C      -8.333119      2.503800      1.302687
  C      -7.782755      2.666401      2.570316
  F      -6.896502      3.672245      2.736175
  C      -8.155516      1.871449      3.661590
  C      -7.722285      2.096182      5.074617
  O      -8.538146      1.979416      5.989302
  N      -6.403556      2.454752      5.331641
  C      -6.093527      2.959392      6.564817
  C      -9.120060      0.884735      3.430113
  H      -7.729993      0.527239     -1.851084
  H      -6.106267      1.188903     -2.228238
  H      -6.423830     -0.575462     -2.307343
  H      -8.103607     -1.726235     -1.034229
  H      -9.094180     -3.423934      0.496741
  H      -4.439820     -1.782580      5.617513
  H      -5.789996     -0.201269      2.272796
  H      -5.967445     13.592215      1.963240
  H      -5.574695     12.819333      0.419459
  H      -7.268198     13.296267      0.764471
  H      -3.966567     12.276307      2.068287
  H      -2.177215     10.970412      3.209764
  H      -5.672021      5.007136      4.259821
  H      -6.798383      9.173333      3.048669
  H     -12.130563     -1.343346      0.718609
  H     -10.686913     -0.718320     -0.138730
  H     -11.931607      0.414401      0.414964
  H      -9.718192      1.385173      0.111824
  H      -8.010466      3.163522      0.497400
  H      -6.849752      3.375834      7.242122
  H      -9.445104      0.258729      4.261649
  N      -4.482079      1.766357      3.028324
  H      -4.761126      1.599500      2.046485
88
Coordinates from ORCA-job orca E -6669.466461367897
  N      -4.088845      0.275600      5.585486
  Mo     -4.353211      2.191765      4.710387
  N      -4.806822      2.906210      6.722940
  C      -3.848635      3.620972      7.512891
  C      -2.493624      2.949732      7.221583
  N      -2.363464      2.386306      5.815873
  C      -1.803182      1.005374      5.882606
  C      -2.888797      0.069031      6.391420
  C      -1.578360      3.288100      4.926554
  C      -2.359256      4.572271      4.705836
  N      -3.772116      4.239160      4.502503
  H      -2.539733     -0.973867      6.324392
  H      -3.102817      0.267391      7.456267
  H      -1.513427      0.718987      4.861766
  H      -0.904844      0.982680      6.522566
  H      -2.253617      5.260293      5.562035
  H      -1.956661      5.115049      3.835434
  H      -0.585344      3.492611      5.361642
  H      -1.435764      2.753168      3.976221
  H      -4.054691      3.584216      8.596179
  H      -3.835189      4.681162      7.212199
  H      -2.368324      2.105131      7.907870
  H      -1.658899      3.644793      7.393734
  C      -6.645160      0.351594     -1.766090
  C      -6.243852      0.239251     -0.314867
  O      -5.434977      1.037927      0.167395
  C      -6.854844     -0.835824      0.510448
  C      -7.794774     -1.757162      0.012028
  C      -8.351118     -2.712979      0.855032
  C      -7.967132     -2.759519      2.196702
  F      -8.546503     -3.688421      2.971612
  C      -7.027919     -1.864490      2.733544
  C      -6.509882     -1.905247      4.148511
  O      -6.655729     -2.886724      4.880155
  N      -5.855458     -0.730392      4.477892
  C      -4.807285     -0.803780      5.253832
  C      -6.500553     -0.913536      1.859180
  C      -6.343957     12.899135      1.203089
  C      -6.634281     11.541761      1.807937
  O      -7.762570     11.060114      1.754524
  C      -5.514445     10.805896      2.470230
  C      -4.204810     11.313873      2.520149
  C      -3.196412     10.591486      3.148005
  C      -3.493367      9.352475      3.712059
  F      -2.480235      8.710692      4.334602
  C      -4.785129      8.802473      3.683773
  C      -5.186914      7.472566      4.269572
  O      -6.336953      7.328143      4.704223
  N      -4.194466      6.514096      4.255351
  C      -4.607891      5.262332      4.338782
  C      -5.780030      9.566731      3.065937
  C     -11.409555     -0.522905      0.668156
  C     -10.702358     -0.401551      2.000579
  O     -10.960492     -1.169373      2.922408
  C      -9.686180      0.682549      2.167202
  C      -9.285939      1.509923      1.103791
  C      -8.333355      2.502162      1.301525
  C      -7.782948      2.665493      2.569043
  F      -6.896930      3.671622      2.734360
  C      -8.155616      1.871128      3.660761
  C      -7.722308      2.096507      5.073670
  O      -8.538191      1.980393      5.988409
  N      -6.403594      2.455300      5.330451
  C      -6.093709      2.960967      6.563201
  C      -9.120177      0.884289      3.429865
  H      -7.729206      0.523943     -1.852415
  H      -6.104708      1.183261     -2.229884
  H      -6.424260     -0.580887     -2.307000
  H      -8.103599     -1.729812     -1.033606
  H      -9.094264     -3.426519      0.498444
  H      -4.440560     -1.781640      5.618536
  H      -5.790256     -0.202480      2.272398
  H      -5.964373     13.594966      1.966696
  H      -5.571645     12.822686      0.422607
  H      -7.264976     13.300459      0.767416
  H      -3.964867     12.278897      2.073444
  H      -2.176691     10.971786      3.215449
  H      -5.672828      5.007851      4.258350
  H      -6.797927      9.175316      3.048462
  H     -12.130590     -1.345474      0.719689
  H     -10.687022     -0.720784     -0.138039
  H     -11.931801      0.412123      0.415123
  H      -9.718387      1.382795      0.111318
  H      -8.010789      3.161501      0.495890
  H      -6.849933      3.377975      7.240169
  H      -9.445158      0.258740      4.261773
  N      -4.482233      1.765506      3.027484
  H      -4.761234      1.598198      2.045722
88
Coordinates from ORCA-job orca E -6669.466462021211
  N      -4.089317      0.276293      5.585549
  Mo     -4.353767      2.191808      4.709318
  N      -4.806976      2.907614      6.721393
  C      -3.848545      3.622790      7.510724
  C      -2.493754      2.951123      7.219551
  N      -2.363968      2.386914      5.814068
  C      -1.803575      1.006086      5.881536
  C      -2.889043      0.070007      6.391187
  C      -1.579094      3.288250      4.924081
  C      -2.359998      4.572311      4.703065
  N      -3.772897      4.239233      4.499580
  H      -2.540058     -0.972934      6.324462
  H      -3.102662      0.268832      7.456026
  H      -1.514015      0.719023      4.860837
  H      -0.905099      0.983854      6.521313
  H      -2.254432      5.260508      5.559136
  H      -1.957333      5.114968      3.832620
  H      -0.585957      3.492957      5.358805
  H      -1.436739      2.752870      3.973966
  H      -4.054399      3.586668      8.594074
  H      -3.835062      4.682803      7.209427
  H      -2.368623      2.106818      7.906225
  H      -1.658777      3.646019      7.391145
  C      -6.644493      0.347114     -1.766761
  C      -6.244200      0.236510     -0.315133
  O      -5.435861      1.035939      0.166783
  C      -6.855160     -0.838083      0.510834
  C      -7.795102     -1.759712      0.012992
  C      -8.351501     -2.714947      0.856607
  C      -7.967439     -2.760696      2.198265
  F      -8.546684     -3.689185      2.973776
  C      -7.028156     -1.865414      2.734562
  C      -6.509991     -1.905493      4.149522
  O      -6.655459     -2.886809      4.881453
  N      -5.855951     -0.730315      4.478520
  C      -4.807745     -0.803274      5.254484
  C      -6.500803     -0.914984      1.859620
  C      -6.340874     12.902359      1.205730
  C      -6.632007     11.544375      1.808800
  O      -7.759895     11.062166      1.752162
  C      -5.513224     10.808219      2.472567
  C      -4.203923     11.316665      2.525731
  C      -3.196412     10.593899      3.154584
  C      -3.493959      9.354016      3.716370
  F      -2.481787      8.711664      4.339881
  C      -4.785446      8.803533      3.684898
  C      -5.187806      7.472754      4.268257
  O      -6.338520      7.327377      4.700713
  N      -4.194951      6.514520      4.254205
  C      -4.608417      5.262658      4.336429
  C      -5.779505      9.568161      3.066137
  C     -11.409744     -0.525031      0.668971
  C     -10.702551     -0.402802      2.001317
  O     -10.960349     -1.170282      2.923516
  C      -9.686452      0.681483      2.167224
  C      -9.286184      1.508126      1.103250
  C      -8.333597      2.500481      1.300299
  C      -7.783131      2.664634      2.567695
  F      -6.897138      3.670894      2.732303
  C      -8.155848      1.871059      3.659967
  C      -7.722493      2.097254      5.072739
  O      -8.538408      1.981912      5.987539
  N      -6.403755      2.456138      5.329250
  C      -6.093847      2.962721      6.561567
  C      -9.120473      0.884120      3.429750
  H      -7.728093      0.522282     -1.853443
  H      -6.102024      1.176828     -2.231676
  H      -6.426085     -0.586742     -2.306227
  H      -8.104044     -1.732896     -1.032622
  H      -9.094757     -3.428608      0.500499
  H      -4.440828     -1.780951      5.619486
  H      -5.790448     -0.203595      2.272170
  H      -5.962389     13.597548      1.970456
  H      -5.567438     12.826606      0.426279
  H      -7.261274     13.304041      0.769073
  H      -3.963567     12.282414      2.080822
  H      -2.177003     10.974563      3.224606
  H      -5.673423      5.008591      4.255746
  H      -6.797199      9.176342      3.046252
  H     -12.130491     -1.347821      0.720927
  H     -10.687145     -0.723037     -0.137126
  H     -11.932344      0.409687      0.415499
  H      -9.718679      1.380350      0.110880
  H      -8.011034      3.159305      0.494242
  H      -6.849930      3.380481      7.238231
  H      -9.445489      0.259188      4.262109
  N      -4.482446      1.764038      3.026733
  H      -4.761468      1.596361      2.045061
88
Coordinates from ORCA-job orca E -6669.466461782106
  N      -4.089187      0.276528      5.585348
  Mo     -4.353930      2.191802      4.708697
  N      -4.807019      2.908005      6.720641
  C      -3.848530      3.623502      7.509647
  C      -2.493775      2.951809      7.218428
  N      -2.364131      2.387408      5.812963
  C      -1.803440      1.006707      5.880603
  C      -2.888643      0.070495      6.390641
  C      -1.579570      3.288791      4.922733
  C      -2.360753      4.572666      4.701773
  N      -3.773616      4.239359      4.498166
  H      -2.539505     -0.972392      6.323899
  H      -3.101958      0.269391      7.455526
  H      -1.513953      0.719508      4.859924
  H      -0.904869      0.984761      6.520258
  H      -2.255362      5.260772      5.557933
  H      -1.958161      5.115479      3.831395
  H      -0.586418      3.493767      5.357297
  H      -1.437225      2.753325      3.972668
  H      -4.054205      3.587645      8.593040
  H      -3.835245      4.683442      7.208080
  H      -2.368716      2.107542      7.905154
  H      -1.658696      3.646622      7.389844
  C      -6.644050      0.344958     -1.766702
  C      -6.243695      0.234645     -0.315072
  O      -5.435374      1.034230      0.166633
  C      -6.855092     -0.839366      0.511306
  C      -7.795412     -1.760806      0.013825
  C      -8.352109     -2.715563      0.857790
  C      -7.967929     -2.761040      2.199417
  F      -8.547428     -3.689079      2.975282
  C      -7.028322     -1.865897      2.735378
  C      -6.509957     -1.905730      4.150275
  O      -6.655192     -2.886981      4.882333
  N      -5.856021     -0.730412      4.478985
  C      -4.807533     -0.803189      5.254606
  C      -6.500734     -0.915905      1.860117
  C      -6.338974     12.904340      1.207162
  C      -6.630340     11.545290      1.807711
  O      -7.757959     11.062723      1.748851
  C      -5.512463     10.809192      2.473076
  C      -4.203412     11.317983      2.528583
  C      -3.196595     10.595071      3.158404
  C      -3.494642      9.354736      3.718902
  F      -2.483221      8.712112      4.343346
  C      -4.785971      8.803999      3.685286
  C      -5.188816      7.472827      4.267397
  O      -6.339907      7.327140      4.698696
  N      -4.195789      6.514700      4.253640
  C      -4.609187      5.262755      4.335397
  C      -5.779337      9.568713      3.065536
  C     -11.410208     -0.525653      0.669176
  C     -10.702709     -0.403494      2.001373
  O     -10.961192     -1.170244      2.923985
  C      -9.686529      0.680741      2.167090
  C      -9.286003      1.506992      1.102898
  C      -8.333303      2.499270      1.299742
  C      -7.783009      2.663786      2.567172
  F      -6.896887      3.669951      2.731605
  C      -8.156012      1.870639      3.659651
  C      -7.722741      2.097257      5.072385
  O      -8.538647      1.981978      5.987200
  N      -6.403973      2.456079      5.328809
  C      -6.093939      2.962938      6.560963
  C      -9.120712      0.883736      3.429630
  H      -7.727317      0.522594     -1.852881
  H      -6.100084      1.173309     -2.232296
  H      -6.428102     -0.589652     -2.305794
  H      -8.104446     -1.734196     -1.031766
  H      -9.095682     -3.429036      0.501973
  H      -4.440400     -1.780781      5.619607
  H      -5.790147     -0.204566      2.272350
  H      -5.961590     13.598521      1.973344
  H      -5.564622     12.830032      0.428477
  H      -7.258986     13.306372      0.770004
  H      -3.962698     12.284128      2.084729
  H      -2.177402     10.975983      3.230181
  H      -5.674197      5.008741      4.254503
  H      -6.796911      9.176680      3.043891
  H     -12.131247     -1.348170      0.721415
  H     -10.687844     -0.724038     -0.137025
  H     -11.932555      0.409202      0.415670
  H      -9.718396      1.378939      0.110518
  H      -8.010520      3.157781      0.493516
  H      -6.849924      3.380809      7.237669
  H      -9.445922      0.259111      4.262143
  N      -4.482333      1.763493      3.026207
  H      -4.761372      1.595900      2.044509
