90
Coordinates from ORCA-job orca E -6670.378085110358
  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      -2.256539      1.272421      2.611064
  H      -1.333764      2.403645      3.330712
  H      -2.461063      2.844524      2.242642
90
Coordinates from ORCA-job orca E -6670.402941719840
  N      -3.525991      0.251042      4.828396
  Mo     -3.675136      2.345567      4.674277
  N      -5.007222      2.524565      6.307281
  C      -4.340680      2.973323      7.519387
  C      -3.041198      2.190924      7.728930
  N      -2.237248      2.024841      6.477663
  C      -1.720150      0.639420      6.379336
  C      -2.858932     -0.300260      6.000574
  C      -1.132615      3.018307      6.420576
  C      -1.722179      4.401171      6.092464
  N      -2.822348      4.082487      5.229417
  H      -2.452304     -1.301789      5.799691
  H      -3.585628     -0.396386      6.823377
  H      -0.968553      0.610855      5.579600
  H      -1.247708      0.318839      7.320112
  H      -2.063711      4.935162      6.992053
  H      -0.982027      5.036517      5.585163
  H      -0.567986      3.033865      7.362799
  H      -0.455209      2.724478      5.609286
  H      -4.978984      2.835961      8.405149
  H      -4.137068      4.053598      7.436924
  H      -3.304751      1.198598      8.109394
  H      -2.440895      2.693074      8.499467
  C      -4.182317      4.817322     -1.332219
  C      -4.288735      3.854342     -0.187661
  O      -3.985043      4.172825      0.966959
  C      -4.777656      2.473585     -0.461364
  C      -5.547866      2.100272     -1.573202
  C      -6.025641      0.799631     -1.671976
  C      -5.752531     -0.122297     -0.661599
  F      -6.288223     -1.348214     -0.768856
  C      -4.982733      0.214430      0.458127
  C      -4.697052     -0.718326      1.614060
  O      -4.824875     -1.937741      1.554191
  N      -4.359903     -0.005805      2.747654
  C      -3.826937     -0.547027      3.817116
  C      -4.493001      1.518208      0.510353
  C      -7.803139     10.012786     -0.547452
  C      -7.308164      8.697595     -0.010477
  O      -7.488405      7.640334     -0.598682
  C      -6.563817      8.716367      1.294992
  C      -6.116333      9.890960      1.915580
  C      -5.417549      9.830457      3.115110
  C      -5.148486      8.595800      3.691212
  F      -4.494264      8.581054      4.869655
  C      -5.579483      7.398058      3.099976
  C      -5.306391      6.041624      3.638650
  O      -6.084767      5.102288      3.440805
  N      -4.106363      5.905529      4.328056
  C      -3.752865      4.687149      4.573743
  C      -6.298695      7.490597      1.906790
  C     -13.779321     -0.719481      4.067849
  C     -12.727569     -0.071213      4.928554
  O     -12.925597      0.218986      6.098134
  C     -11.393972      0.215208      4.292101
  C     -11.002046     -0.315873      3.056314
  C      -9.750224     -0.013483      2.535096
  C      -8.891708      0.807003      3.253037
  F      -7.694890      1.103541      2.681360
  C      -9.236533      1.355395      4.489789
  C      -8.374557      2.239419      5.340129
  O      -8.896711      3.100746      6.055190
  N      -7.019962      2.013695      5.283707
  C      -6.321988      2.449754      6.313970
  C     -10.508082      1.045335      4.981852
  H      -5.190844      5.136596     -1.628960
  H      -3.617104      5.701904     -1.026728
  H      -3.711157      4.338057     -2.196862
  H      -5.789864      2.818752     -2.352341
  H      -6.628868      0.484346     -2.520016
  H      -3.602200     -1.626957      3.876060
  H      -3.868464      1.788643      1.343147
  H      -8.398642     10.536423      0.208930
  H      -6.948786     10.649080     -0.810669
  H      -8.406811      9.837964     -1.441699
  H      -6.306922     10.862426      1.467068
  H      -5.073964     10.732707      3.615502
  H      -4.446697      3.868469      4.097006
  H      -6.650663      6.572352      1.440946
  H     -14.725782     -0.752262      4.613809
  H     -13.474179     -1.744550      3.822114
  H     -13.905700     -0.166285      3.130644
  H     -11.663502     -0.967451      2.491529
  H      -9.423339     -0.403347      1.573800
  H      -6.866871      2.732388      7.232768
  H     -10.811482      1.468526      5.937146
  N      -2.232738      2.193259      3.073461
  H      -2.204727      1.255318      2.657668
  H      -1.274851      2.398302      3.375313
  H      -2.429767      2.843428      2.300297
90
Coordinates from ORCA-job orca E -6670.418155918516
  N      -3.508496      0.210237      4.925419
  Mo     -3.657675      2.280347      4.744359
  N      -4.943660      2.495992      6.390047
  C      -4.261003      2.958108      7.593308
  C      -2.973329      2.163628      7.787020
  N      -2.191304      1.976385      6.510280
  C      -1.677881      0.576318      6.417702
  C      -2.825788     -0.356519      6.082819
  C      -1.076180      2.967038      6.406007
  C      -1.658340      4.346666      6.072095
  N      -2.785442      4.034974      5.237998
  H      -2.435168     -1.364488      5.875084
  H      -3.532637     -0.442868      6.924929
  H      -0.943829      0.542662      5.600036
  H      -1.178976      0.274963      7.353080
  H      -1.976931      4.898080      6.971130
  H      -0.923582      4.967763      5.537275
  H      -0.489314      2.985508      7.335706
  H      -0.420844      2.646629      5.585011
  H      -4.890010      2.836399      8.488951
  H      -4.042994      4.035634      7.501451
  H      -3.231123      1.171637      8.176804
  H      -2.343639      2.663672      8.537696
  C      -4.097677      4.870767     -1.366172
  C      -4.204138      3.938454     -0.189052
  O      -3.820647      4.276430      0.938215
  C      -4.785000      2.576880     -0.405157
  C      -5.607320      2.219119     -1.488822
  C      -6.159482      0.940536     -1.548319
  C      -5.902645      0.022599     -0.526892
  F      -6.498965     -1.178084     -0.601422
  C      -5.084581      0.340846      0.570729
  C      -4.812278     -0.585512      1.728688
  O      -4.982260     -1.803146      1.677094
  N      -4.398586      0.102587      2.869340
  C      -3.862458     -0.537487      3.882723
  C      -4.535524      1.623173      0.580490
  C      -7.953322      9.793064     -0.616066
  C      -7.423202      8.499723     -0.043527
  O      -7.597244      7.422526     -0.607950
  C      -6.659414      8.561551      1.250699
  C      -6.223151      9.766033      1.830688
  C      -5.498883      9.757334      3.021028
  C      -5.196108      8.541669      3.627460
  F      -4.517669      8.576282      4.792146
  C      -5.615701      7.314326      3.080150
  C      -5.312785      5.972022      3.646270
  O      -6.078731      5.022726      3.475398
  N      -4.086427      5.862668      4.333875
  C      -3.731894      4.652020      4.594782
  C      -6.360471      7.357687      1.895640
  C     -13.708933     -0.679120      3.890638
  C     -12.655757     -0.102967      4.810353
  O     -12.858542      0.045607      6.012201
  C     -11.335403      0.289081      4.206248
  C     -10.948509     -0.087875      2.907543
  C      -9.708709      0.299000      2.404576
  C      -8.856078      1.051102      3.206797
  F      -7.687243      1.449347      2.663171
  C      -9.193219      1.444649      4.508581
  C      -8.324149      2.245596      5.430339
  O      -8.846820      3.031157      6.231976
  N      -6.952293      2.033691      5.340218
  C      -6.275377      2.425500      6.395738
  C     -10.455040      1.055297      4.979526
  H      -5.101973      5.241943     -1.634195
  H      -3.469367      5.731073     -1.107216
  H      -3.693433      4.347706     -2.245432
  H      -5.831790      2.936005     -2.281475
  H      -6.805114      0.639401     -2.375553
  H      -3.684783     -1.627783      3.885971
  H      -3.882822      1.885054      1.400314
  H      -8.551530     10.335762      0.132184
  H      -7.114748     10.445182     -0.911610
  H      -8.566624      9.578195     -1.498892
  H      -6.442292     10.723741      1.354494
  H      -5.161991     10.683756      3.490289
  H      -4.464693      3.830295      4.138936
  H      -6.706616      6.418234      1.463213
  H     -14.649361     -0.797000      4.441833
  H     -13.385350     -1.666589      3.521744
  H     -13.864594     -0.028999      3.016187
  H     -11.610440     -0.685433      2.277718
  H      -9.389089      0.031618      1.395295
  H      -6.816005      2.703888      7.318438
  H     -10.754978      1.359202      5.984173
  N      -2.242438      2.117094      3.069172
  H      -2.232352      1.172213      2.662600
  H      -1.271610      2.327979      3.329919
  H      -2.472070      2.764922      2.295612
90
Coordinates from ORCA-job orca E -6670.428723994769
  N      -3.485812      0.205842      5.029513
  Mo     -3.635340      2.255592      4.823423
  N      -4.872801      2.496155      6.481436
  C      -4.176355      2.963513      7.674598
  C      -2.894930      2.161545      7.849550
  N      -2.140301      1.963823      6.550448
  C      -1.625644      0.557280      6.460080
  C      -2.783761     -0.370735      6.166356
  C      -1.022769      2.952650      6.405578
  C      -1.602046      4.329718      6.071624
  N      -2.752096      4.024611      5.263689
  H      -2.412277     -1.384896      5.951684
  H      -3.467887     -0.445372      7.027868
  H      -0.910640      0.521357      5.625931
  H      -1.100848      0.274117      7.387105
  H      -1.898567      4.892684      6.971610
  H      -0.874446      4.940092      5.514612
  H      -0.414818      2.972605      7.321959
  H      -0.389106      2.613402      5.575017
  H      -4.795615      2.851020      8.578533
  H      -3.949998      4.038791      7.576383
  H      -3.143253      1.168743      8.243703
  H      -2.238685      2.657281      8.580613
  C      -4.256790      4.746340     -1.474307
  C      -4.293971      3.864099     -0.252432
  O      -3.743165      4.202268      0.802845
  C      -4.997606      2.547948     -0.340529
  C      -5.944421      2.202426     -1.322433
  C      -6.580097      0.961095     -1.269442
  C      -6.278690      0.067968     -0.237676
  F      -6.946865     -1.095795     -0.204655
  C      -5.342052      0.379501      0.765978
  C      -5.005726     -0.507256      1.926096
  O      -5.230911     -1.716536      1.939384
  N      -4.472714      0.193191      3.021781
  C      -3.900868     -0.504546      3.980642
  C      -4.726399      1.623292      0.663407
  C      -7.983289      9.681914     -0.634590
  C      -7.445257      8.403378     -0.032854
  O      -7.621969      7.314910     -0.577224
  C      -6.675652      8.490059      1.253664
  C      -6.238237      9.709358      1.803486
  C      -5.502431      9.730642      2.987322
  C      -5.191556      8.527851      3.616524
  F      -4.501451      8.588724      4.772806
  C      -5.613243      7.287072      3.101798
  C      -5.305541      5.955731      3.689884
  O      -6.065125      5.002774      3.535383
  N      -4.061863      5.859514      4.370462
  C      -3.709020      4.651969      4.637928
  C      -6.369410      7.301791      1.923467
  C     -13.462466     -0.727333      3.494104
  C     -12.446991     -0.226956      4.499525
  O     -12.670593     -0.268839      5.707817
  C     -11.151939      0.326205      3.982477
  C     -10.741224      0.167616      2.645083
  C      -9.525921      0.694044      2.213372
  C      -8.718906      1.366751      3.127816
  F      -7.584235      1.921492      2.663401
  C      -9.080205      1.540265      4.473028
  C      -8.249964      2.247237      5.497255
  O      -8.806569      2.905957      6.384149
  N      -6.861477      2.085915      5.397370
  C      -6.210808      2.427241      6.483850
  C     -10.319355      1.018997      4.870347
  H      -5.252364      5.192249     -1.646257
  H      -3.534743      5.558031     -1.325943
  H      -4.004477      4.164637     -2.374288
  H      -6.196797      2.898462     -2.125997
  H      -7.320896      0.669317     -2.016761
  H      -3.773558     -1.599725      3.954366
  H      -3.992340      1.882427      1.411312
  H      -8.580753     10.244274      0.100923
  H      -7.150619     10.334084     -0.949542
  H      -8.599102      9.442152     -1.509435
  H      -6.464947     10.655528      1.306978
  H      -5.163322     10.667865      3.433509
  H      -4.475509      3.833308      4.201203
  H      -6.718945      6.352565      1.516221
  H     -14.394632     -0.979496      4.013630
  H     -13.080761     -1.630134      2.987016
  H     -13.657427      0.029277      2.717565
  H     -11.369650     -0.366676      1.929118
  H      -9.192985      0.600292      1.177347
  H      -6.750349      2.686483      7.411337
  H     -10.639179      1.152710      5.905890
  N      -2.233173      2.109656      3.092365
  H      -2.229043      1.166399      2.685389
  H      -1.257744      2.329632      3.325193
  H      -2.490562      2.761677      2.329109
90
Coordinates from ORCA-job orca E -6670.436588542865
  N      -3.528288      0.171191      5.176727
  Mo     -3.663034      2.193621      4.897890
  N      -4.808235      2.511735      6.585098
  C      -4.069475      3.003511      7.739554
  C      -2.796780      2.185028      7.887172
  N      -2.104802      1.936410      6.557161
  C      -1.606556      0.517779      6.494386
  C      -2.791170     -0.400296      6.287054
  C      -0.980609      2.903041      6.321921
  C      -1.548141      4.276572      5.964595
  N      -2.741240      3.972954      5.217201
  H      -2.455869     -1.428709      6.080935
  H      -3.434018     -0.436150      7.181942
  H      -0.931068      0.450263      5.630465
  H      -1.038842      0.269047      7.405523
  H      -1.793836      4.877191      6.855652
  H      -0.833893      4.851462      5.355135
  H      -0.330807      2.940700      7.208728
  H      -0.392574      2.516858      5.478594
  H      -4.659993      2.928425      8.666479
  H      -3.828271      4.071173      7.602317
  H      -3.038072      1.205197      8.315424
  H      -2.093462      2.685221      8.569627
  C      -4.371458      4.668164     -1.466365
  C      -4.377606      3.842698     -0.204643
  O      -3.715795      4.177204      0.783640
  C      -5.185431      2.586065     -0.178311
  C      -6.215532      2.277097     -1.084708
  C      -6.935127      1.090760     -0.944349
  C      -6.630300      0.211226      0.095829
  F      -7.371539     -0.902060      0.208028
  C      -5.613143      0.485900      1.030008
  C      -5.264765     -0.394896      2.181667
  O      -5.550501     -1.589174      2.226541
  N      -4.613728      0.272567      3.244072
  C      -4.034762     -0.500116      4.146827
  C      -4.923190      1.681057      0.846950
  C      -8.084100      9.570131     -0.638226
  C      -7.552325      8.300264     -0.014060
  O      -7.780218      7.201171     -0.515818
  C      -6.728711      8.405485      1.233487
  C      -6.237859      9.630286      1.721721
  C      -5.449087      9.672121      2.869606
  C      -5.140430      8.482521      3.523902
  F      -4.397170      8.561273      4.645048
  C      -5.615049      7.237878      3.071837
  C      -5.317745      5.917789      3.686875
  O      -6.101423      4.979209      3.590780
  N      -4.045726      5.814938      4.324662
  C      -3.710223      4.607404      4.617463
  C      -6.423600      7.233280      1.929628
  C     -13.113893     -0.794426      3.031613
  C     -12.160060     -0.362551      4.125248
  O     -12.407880     -0.592040      5.307029
  C     -10.904658      0.353044      3.735645
  C     -10.459595      0.421015      2.402224
  C      -9.282813      1.093105      2.082320
  C      -8.544896      1.683135      3.106024
  F      -7.456155      2.396381      2.760295
  C      -8.942124      1.625995      4.452724
  C      -8.178801      2.237832      5.580730
  O      -8.785229      2.756625      6.522327
  N      -6.777368      2.142058      5.495235
  C      -6.146745      2.454664      6.602368
  C     -10.144549      0.968261      4.737192
  H      -5.338893      5.183641     -1.592061
  H      -3.579690      5.423810     -1.410173
  H      -4.235174      4.032870     -2.354622
  H      -6.466797      2.959836     -1.899064
  H      -7.741257      0.829759     -1.632046
  H      -3.977875     -1.598249      4.091914
  H      -4.129859      1.918144      1.542477
  H      -8.636791     10.174879      0.097998
  H      -7.252471     10.192581     -1.009299
  H      -8.740215      9.314129     -1.477674
  H      -6.464083     10.564083      1.203570
  H      -5.067329     10.613239      3.268702
  H      -4.529324      3.797326      4.240648
  H      -6.817263      6.281339      1.573745
  H     -14.030592     -1.186714      3.486226
  H     -12.654647     -1.584948      2.414448
  H     -13.356222      0.043089      2.358972
  H     -11.034887     -0.047793      1.601902
  H      -8.930364      1.178900      1.052978
  H      -6.677621      2.712382      7.533704
  H     -10.492279      0.924998      5.770959
  N      -2.324994      2.001263      3.080260
  H      -2.348684      1.049871      2.697885
  H      -1.338740      2.222549      3.253434
  H      -2.620450      2.636540      2.320339
90
Coordinates from ORCA-job orca E -6670.442592059610
  N      -3.555703      0.153532      5.200898
  Mo     -3.704796      2.155673      4.894861
  N      -4.827860      2.482189      6.580535
  C      -4.097626      2.986685      7.729830
  C      -2.825230      2.171604      7.879200
  N      -2.146141      1.918151      6.543770
  C      -1.632361      0.501919      6.492022
  C      -2.814641     -0.426083      6.296892
  C      -1.029118      2.888381      6.292290
  C      -1.600920      4.256106      5.927519
  N      -2.795964      3.950208      5.180851
  H      -2.486849     -1.455737      6.086287
  H      -3.449843     -0.459323      7.197241
  H      -0.961199      0.437668      5.625254
  H      -1.054296      0.275573      7.401783
  H      -1.845516      4.863633      6.814053
  H      -0.887259      4.826924      5.313930
  H      -0.375180      2.932480      7.175747
  H      -0.444545      2.491868      5.451925
  H      -4.690125      2.913078      8.655714
  H      -3.861260      4.054487      7.586365
  H      -3.059941      1.191399      8.308727
  H      -2.109860      2.670251      8.549598
  C      -4.263786      4.740289     -1.461907
  C      -4.304070      3.935986     -0.188747
  O      -3.630267      4.257741      0.792710
  C      -5.152656      2.708719     -0.147402
  C      -6.159850      2.406333     -1.079323
  C      -6.909411      1.240484     -0.941720
  C      -6.656271      0.372455      0.119386
  F      -7.413285     -0.731366      0.215781
  C      -5.669266      0.643756      1.085045
  C      -5.372058     -0.238834      2.241741
  O      -5.662518     -1.430566      2.265609
  N      -4.675410      0.382861      3.312295
  C      -4.108645     -0.462962      4.166653
  C      -4.949734      1.821789      0.907537
  C      -7.936495      9.628517     -0.749747
  C      -7.449177      8.351212     -0.108308
  O      -7.696491      7.256917     -0.608993
  C      -6.646359      8.441003      1.150761
  C      -6.131569      9.654726      1.639318
  C      -5.357098      9.682469      2.795799
  C      -5.087774      8.489259      3.459447
  F      -4.355964      8.553056      4.588542
  C      -5.588821      7.256475      3.009037
  C      -5.335599      5.931894      3.631297
  O      -6.133511      5.008538      3.518880
  N      -4.075366      5.805384      4.286913
  C      -3.758500      4.590837      4.583264
  C      -6.383107      7.266354      1.857713
  C     -13.092953     -1.041616      3.168149
  C     -12.098233     -0.622986      4.228169
  O     -12.257260     -0.946510      5.401581
  C     -10.915449      0.193347      3.818938
  C     -10.568464      0.389536      2.471995
  C      -9.455439      1.151357      2.131892
  C      -8.678027      1.702876      3.146634
  F      -7.648775      2.497008      2.788651
  C      -8.983534      1.522865      4.505941
  C      -8.196938      2.106187      5.631401
  O      -8.782716      2.520417      6.631707
  N      -6.794013      2.090601      5.488535
  C      -6.163285      2.407535      6.596661
  C     -10.124899      0.777487      4.813609
  H      -5.211167      5.284099     -1.608266
  H      -3.447273      5.468198     -1.410649
  H      -4.141559      4.087815     -2.338502
  H      -6.367153      3.076207     -1.914648
  H      -7.696445      0.983787     -1.651150
  H      -4.102142     -1.557176      4.065322
  H      -4.182795      2.063299      1.629723
  H      -8.486465     10.253419     -0.030226
  H      -7.084924     10.228615     -1.108479
  H      -8.582160      9.381579     -1.598726
  H      -6.327063     10.589764      1.113617
  H      -4.956438     10.614177      3.195088
  H      -4.596689      3.790907      4.210820
  H      -6.799617      6.323466      1.504490
  H     -13.950494     -1.520934      3.651410
  H     -12.630411     -1.756973      2.469311
  H     -13.430183     -0.181578      2.570714
  H     -11.172506     -0.049286      1.677678
  H      -9.186114      1.338638      1.094128
  H      -6.687934      2.639992      7.536671
  H     -10.401430      0.638767      5.859558
  N      -2.324461      2.005734      3.065610
  H      -2.330451      1.059383      2.675086
  H      -1.344834      2.246208      3.244052
  H      -2.626857      2.642878      2.314504
90
Coordinates from ORCA-job orca E -6670.448263643591
  N      -3.557176      0.124956      5.241647
  Mo     -3.721357      2.107463      4.879100
  N      -4.843271      2.457511      6.555978
  C      -4.126976      2.986166      7.700064
  C      -2.849317      2.182296      7.867383
  N      -2.171823      1.913146      6.536112
  C      -1.637565      0.502010      6.515097
  C      -2.813840     -0.443629      6.335540
  C      -1.064158      2.888769      6.268558
  C      -1.644902      4.244098      5.875441
  N      -2.832561      3.919201      5.122450
  H      -2.488657     -1.476156      6.137137
  H      -3.445961     -0.462983      7.238633
  H      -0.964976      0.429678      5.650431
  H      -1.056717      0.308010      7.429802
  H      -1.899028      4.867061      6.748105
  H      -0.929206      4.808125      5.258012
  H      -0.413431      2.954591      7.152999
  H      -0.473059      2.478209      5.440149
  H      -4.726222      2.920031      8.622140
  H      -3.899793      4.053707      7.541600
  H      -3.079608      1.206719      8.309010
  H      -2.131320      2.690525      8.527178
  C      -4.192417      4.750600     -1.447981
  C      -4.249042      3.979489     -0.155763
  O      -3.512715      4.261554      0.791655
  C      -5.184115      2.821016     -0.055570
  C      -6.229129      2.564876     -0.957962
  C      -7.044328      1.450906     -0.780711
  C      -6.812996      0.583271      0.284340
  F      -7.619646     -0.481589      0.407484
  C      -5.788186      0.811016      1.220999
  C      -5.494644     -0.094287      2.356557
  O      -5.847622     -1.267296      2.378142
  N      -4.714320      0.459617      3.411680
  C      -4.155997     -0.449730      4.216814
  C      -5.012555      1.946826      1.015606
  C      -7.842950      9.711691     -0.812869
  C      -7.394822      8.420514     -0.173758
  O      -7.687115      7.334853     -0.667457
  C      -6.573925      8.485066      1.074373
  C      -6.008073      9.679416      1.552129
  C      -5.217138      9.680375      2.696635
  C      -4.981888      8.480057      3.359758
  F      -4.230924      8.518968      4.477283
  C      -5.533376      7.266526      2.919593
  C      -5.321030      5.933646      3.539679
  O      -6.149071      5.035477      3.431826
  N      -4.075582      5.776661      4.202467
  C      -3.785284      4.555710      4.512143
  C      -6.344884      7.303906      1.781731
  C     -13.016046     -1.294274      3.174329
  C     -11.998600     -0.886959      4.214945
  O     -12.077483     -1.300662      5.366653
  C     -10.890198      0.031566      3.813123
  C     -10.628819      0.353283      2.473077
  C      -9.581767      1.206022      2.143041
  C      -8.781972      1.723806      3.156456
  F      -7.816702      2.601415      2.810367
  C      -9.005337      1.421977      4.508670
  C      -8.208254      1.967376      5.647567
  O      -8.782782      2.287120      6.687034
  N      -6.811565      2.033325      5.466233
  C      -6.174433      2.367796      6.568853
  C     -10.083190      0.587076      4.810321
  H      -5.099285      5.359070     -1.585563
  H      -3.322138      5.414334     -1.438861
  H      -4.144608      4.070711     -2.310058
  H      -6.414070      3.229397     -1.801488
  H      -7.861625      1.230085     -1.466609
  H      -4.213307     -1.537737      4.084618
  H      -4.222491      2.161136      1.719260
  H      -8.360829     10.358254     -0.089996
  H      -6.975691     10.279855     -1.183014
  H      -8.506636      9.484766     -1.652848
  H      -6.176974     10.619193      1.027330
  H      -4.777188     10.596845      3.087945
  H      -4.631314      3.763568      4.146624
  H      -6.806135      6.377183      1.443427
  H     -13.814863     -1.862017      3.661213
  H     -12.545972     -1.925449      2.404409
  H     -13.437143     -0.420128      2.657517
  H     -11.248490     -0.058229      1.677235
  H      -9.384005      1.491003      1.112664
  H      -6.696429      2.588610      7.512600
  H     -10.296244      0.352525      5.853446
  N      -2.269195      1.985459      3.070441
  H      -2.245057      1.040264      2.679071
  H      -1.300863      2.249341      3.272624
  H      -2.564448      2.617539      2.313829
90
Coordinates from ORCA-job orca E -6670.452765520107
  N      -3.533916      0.061355      5.247270
  Mo     -3.736586      2.024086      4.826853
  N      -4.873980      2.386475      6.498656
  C      -4.171142      2.950478      7.634035
  C      -2.878533      2.173383      7.822090
  N      -2.196893      1.892277      6.498801
  C      -1.629847      0.492754      6.513275
  C      -2.787760     -0.486081      6.344291
  C      -1.109350      2.886103      6.217102
  C      -1.715916      4.221286      5.791276
  N      -2.888407      3.859322      5.029210
  H      -2.448386     -1.516187      6.160337
  H      -3.422442     -0.499957      7.245800
  H      -0.951538      0.416010      5.653594
  H      -1.050418      0.335676      7.435158
  H      -1.990549      4.857184      6.647723
  H      -1.003455      4.787377      5.171697
  H      -0.465066      2.985086      7.103169
  H      -0.503325      2.470534      5.402580
  H      -4.774730      2.887764      8.553251
  H      -3.965307      4.019167      7.456458
  H      -3.097531      1.203280      8.281178
  H      -2.166705      2.702264      8.471696
  C      -3.918830      4.921965     -1.309823
  C      -4.040527      4.154037     -0.020738
  O      -3.305235      4.391919      0.940012
  C      -5.034542      3.043443      0.059597
  C      -6.062246      2.838444     -0.874248
  C      -6.924819      1.756772     -0.732681
  C      -6.750673      0.864649      0.321708
  F      -7.584530     -0.182499      0.395575
  C      -5.742911      1.041901      1.288353
  C      -5.496273      0.077179      2.385886
  O      -5.900903     -1.077025      2.348680
  N      -4.679817      0.519424      3.466507
  C      -4.160207     -0.465400      4.221972
  C      -4.926346      2.155836      1.129367
  C      -7.843373      9.690612     -0.914687
  C      -7.418788      8.393923     -0.272958
  O      -7.749650      7.311463     -0.748152
  C      -6.569938      8.449369      0.957791
  C      -5.959723      9.630508      1.411731
  C      -5.145164      9.617426      2.538737
  C      -4.928787      8.417406      3.208834
  F      -4.151844      8.447397      4.308932
  C      -5.523076      7.216288      2.791157
  C      -5.336060      5.880850      3.418089
  O      -6.187129      4.999604      3.317417
  N      -4.105514      5.705385      4.079055
  C      -3.837101      4.480271      4.401020
  C      -6.359718      7.268863      1.672485
  C     -13.133879     -1.432802      3.332392
  C     -12.066386     -1.061759      4.333750
  O     -12.065442     -1.538955      5.462534
  C     -11.002339     -0.094713      3.918406
  C     -10.832530      0.317600      2.589141
  C      -9.821147      1.209515      2.252703
  C      -8.966666      1.677797      3.243545
  F      -8.027197      2.583031      2.890840
  C      -9.102738      1.292755      4.583355
  C      -8.261036      1.792811      5.713606
  O      -8.799120      2.045367      6.792258
  N      -6.881253      1.915972      5.463698
  C      -6.200688      2.274480      6.534541
  C     -10.143979      0.416542      4.896637
  H      -4.790642      5.571280     -1.475102
  H      -3.017520      5.541767     -1.279487
  H      -3.879618      4.237802     -2.168559
  H      -6.196244      3.517663     -1.715008
  H      -7.729700      1.574910     -1.443607
  H      -4.274835     -1.540244      4.037785
  H      -4.153397      2.336299      1.859368
  H      -8.328078     10.356963     -0.187612
  H      -6.968324     10.230295     -1.306883
  H      -8.529731      9.474739     -1.739018
  H      -6.113212     10.570001      0.882547
  H      -4.671343     10.524163      2.912170
  H      -4.674896      3.691221      4.041690
  H      -6.860723      6.354156      1.360543
  H     -13.890008     -2.046455      3.831309
  H     -12.696752     -2.006848      2.501488
  H     -13.602664     -0.541265      2.893524
  H     -11.493533     -0.054337      1.807669
  H      -9.693644      1.562143      1.231395
  H      -6.700219      2.494749      7.491063
  H     -10.288902      0.115688      5.933972
  N      -2.203897      1.937003      3.054924
  H      -2.135462      0.992606      2.665056
  H      -1.252742      2.233797      3.288648
  H      -2.490851      2.557700      2.287469
90
Coordinates from ORCA-job orca E -6670.456479989544
  N      -3.500660      0.044358      5.219111
  Mo     -3.714124      2.017026      4.790415
  N      -4.898243      2.361262      6.453113
  C      -4.206364      2.930998      7.598371
  C      -2.904318      2.168919      7.803389
  N      -2.197921      1.901845      6.492178
  C      -1.607386      0.512887      6.508932
  C      -2.744069     -0.490960      6.317102
  C      -1.122708      2.917153      6.236514
  C      -1.748336      4.243620      5.804061
  N      -2.894212      3.860659      5.012902
  H      -2.381513     -1.512272      6.129646
  H      -3.384533     -0.522113      7.214212
  H      -0.914498      0.447337      5.659445
  H      -1.042609      0.359034      7.440451
  H      -2.054964      4.869366      6.656964
  H      -1.032845      4.828742      5.205246
  H      -0.495753      3.027575      7.133770
  H      -0.491661      2.520038      5.431721
  H      -4.820298      2.856403      8.509426
  H      -4.012263      4.002846      7.426532
  H      -3.126420      1.197351      8.259088
  H      -2.211276      2.704524      8.467777
  C      -3.886886      4.932380     -1.291063
  C      -4.012226      4.159445     -0.005008
  O      -3.240742      4.355200      0.939082
  C      -5.050802      3.089147      0.092715
  C      -6.086846      2.911406     -0.838025
  C      -6.978705      1.852930     -0.692623
  C      -6.819754      0.952220      0.357740
  F      -7.672651     -0.078495      0.427509
  C      -5.804488      1.106310      1.322879
  C      -5.562059      0.115174      2.404092
  O      -5.985163     -1.032269      2.351773
  N      -4.692735      0.506959      3.456257
  C      -4.159688     -0.481885      4.208065
  C      -4.963517      2.203416      1.167124
  C      -7.778842      9.731024     -0.958023
  C      -7.366515      8.429318     -0.316733
  O      -7.705481      7.347580     -0.789466
  C      -6.514162      8.480957      0.915144
  C      -5.889851      9.656318      1.366494
  C      -5.072844      9.634374      2.492384
  C      -4.866617      8.433044      3.164778
  F      -4.085936      8.461749      4.262715
  C      -5.475313      7.236203      2.749381
  C      -5.300397      5.896859      3.379415
  O      -6.155610      5.018286      3.249118
  N      -4.088897      5.708318      4.052387
  C      -3.836739      4.476820      4.365630
  C      -6.315296      7.298660      1.632495
  C     -13.148696     -1.557451      3.371319
  C     -12.074762     -1.181985      4.364726
  O     -12.039060     -1.681180      5.484370
  C     -11.041513     -0.177857      3.947395
  C     -10.913361      0.278730      2.625888
  C      -9.925314      1.199797      2.294034
  C      -9.056978      1.654507      3.279356
  F      -8.129244      2.572192      2.926992
  C      -9.154493      1.234513      4.609922
  C      -8.303810      1.727808      5.739755
  O      -8.830317      1.924286      6.840042
  N      -6.937916      1.870078      5.461194
  C      -6.224925      2.242394      6.503213
  C     -10.169847      0.324065      4.920578
  H      -4.738653      5.612602     -1.438635
  H      -2.963275      5.520294     -1.273445
  H      -3.883780      4.249622     -2.152964
  H      -6.204604      3.594284     -1.679560
  H      -7.791819      1.692872     -1.400650
  H      -4.307982     -1.553478      4.026655
  H      -4.187758      2.368867      1.900265
  H      -8.258226     10.399630     -0.228274
  H      -6.896432     10.261256     -1.349005
  H      -8.467274      9.524006     -1.783967
  H      -6.034047     10.598153      0.836791
  H      -4.588462     10.537609      2.863878
  H      -4.651159      3.695206      3.993018
  H      -6.832281      6.389300      1.327558
  H     -13.882415     -2.202519      3.866047
  H     -12.708104     -2.100922      2.520780
  H     -13.646248     -0.666330      2.962580
  H     -11.584830     -0.082179      1.846757
  H      -9.825229      1.583271      1.278283
  H      -6.714214      2.464828      7.466962
  H     -10.284062     -0.008078      5.952749
  N      -2.111828      1.949389      3.080877
  H      -2.015864      1.009544      2.680781
  H      -1.174416      2.252484      3.359476
  H      -2.367910      2.575429      2.305528
90
Coordinates from ORCA-job orca E -6670.459367887735
  N      -3.493078      0.028082      5.229392
  Mo     -3.704337      1.999742      4.781017
  N      -4.903524      2.349608      6.435330
  C      -4.207382      2.932793      7.575941
  C      -2.905346      2.173412      7.790138
  N      -2.190585      1.899345      6.483003
  C      -1.592047      0.512784      6.506354
  C      -2.718666     -0.500891      6.319008
  C      -1.119443      2.921631      6.227691
  C      -1.752334      4.241588      5.787163
  N      -2.889991      3.847887      4.989284
  H      -2.345872     -1.517706      6.126713
  H      -3.351109     -0.539943      7.221720
  H      -0.897047      0.447003      5.658515
  H      -1.029240      0.364077      7.440132
  H      -2.070987      4.867162      6.636151
  H      -1.036876      4.831941      5.193174
  H      -0.496577      3.040805      7.126860
  H      -0.480317      2.526473      5.428162
  H      -4.821560      2.863319      8.486990
  H      -4.015111      4.003520      7.395861
  H      -3.131389      1.204985      8.251295
  H      -2.217597      2.714090      8.456200
  C      -3.837025      4.960324     -1.227903
  C      -3.949831      4.167479      0.047013
  O      -3.129142      4.306544      0.959095
  C      -5.037486      3.149397      0.169232
  C      -6.101937      3.023954     -0.737840
  C      -7.033844      2.000715     -0.582650
  C      -6.886415      1.080954      0.453116
  F      -7.777442      0.084654      0.531133
  C      -5.845065      1.185583      1.398380
  C      -5.609417      0.165195      2.452883
  O      -6.104936     -0.954594      2.421360
  N      -4.703627      0.514458      3.485853
  C      -4.207468     -0.488691      4.246707
  C      -4.963528      2.249925      1.233237
  C      -7.805259      9.704533     -1.000437
  C      -7.393044      8.404395     -0.353490
  O      -7.750469      7.321129     -0.809954
  C      -6.517366      8.459480      0.861842
  C      -5.869954      9.632960      1.286679
  C      -5.029526      9.613742      2.395866
  C      -4.823502      8.417086      3.077441
  F      -4.018213      8.450719      4.157164
  C      -5.455167      7.222103      2.689230
  C      -5.281148      5.886550      3.330504
  O      -6.142318      5.013120      3.202155
  N      -4.072375      5.698196      4.014629
  C      -3.832094      4.464965      4.332262
  C      -6.318371      7.282966      1.589092
  C     -13.118341     -1.618057      3.302053
  C     -12.042468     -1.267769      4.304244
  O     -11.983421     -1.824573      5.396361
  C     -11.037959     -0.219712      3.929391
  C     -10.946158      0.317070      2.633774
  C      -9.980731      1.273765      2.336314
  C      -9.099654      1.684058      3.331497
  F      -8.185851      2.626763      3.012087
  C      -9.165617      1.190181      4.639868
  C      -8.304293      1.645298      5.778172
  O      -8.812916      1.777726      6.896448
  N      -6.950879      1.827232      5.474306
  C      -6.232512      2.222429      6.499224
  C     -10.158138      0.242499      4.915188
  H      -4.666961      5.676185     -1.332925
  H      -2.890242      5.511091     -1.231256
  H      -3.888648      4.293979     -2.101983
  H      -6.211598      3.721724     -1.569037
  H      -7.870681      1.883284     -1.271873
  H      -4.410139     -1.553396      4.078331
  H      -4.163200      2.378462      1.951219
  H      -8.266529     10.383892     -0.267937
  H      -6.924145     10.223292     -1.411102
  H      -8.509657      9.497306     -1.813197
  H      -6.013803     10.571088      0.749122
  H      -4.526423     10.515502      2.746883
  H      -4.644084      3.690923      3.966527
  H      -6.856234      6.376815      1.307249
  H     -13.830701     -2.308340      3.766905
  H     -12.672481     -2.102912      2.418597
  H     -13.643383     -0.718691      2.947457
  H     -11.627271     -0.009984      1.847381
  H      -9.906362      1.716733      1.343021
  H      -6.715629      2.451143      7.465903
  H     -10.247200     -0.150314      5.928811
  N      -2.090727      1.902065      3.081046
  H      -1.995811      0.960479      2.685862
  H      -1.154171      2.200874      3.365989
  H      -2.335443      2.525428      2.299254
90
Coordinates from ORCA-job orca E -6670.461871927198
  N      -3.436857      0.020235      5.239776
  Mo     -3.659726      1.991270      4.786128
  N      -4.876283      2.326931      6.429956
  C      -4.178729      2.923455      7.567037
  C      -2.871805      2.175768      7.785232
  N      -2.145415      1.908478      6.481101
  C      -1.531571      0.529644      6.502061
  C      -2.639459     -0.500963      6.317981
  C      -1.085579      2.946270      6.229307
  C      -1.734279      4.257349      5.788665
  N      -2.863407      3.849029      4.986239
  H      -2.242740     -1.506139      6.112572
  H      -3.261353     -0.564403      7.227249
  H      -0.835452      0.475455      5.654291
  H      -0.967789      0.382540      7.435715
  H      -2.067584      4.874764      6.638356
  H      -1.025186      4.861573      5.200985
  H      -0.466321      3.072786      7.130090
  H      -0.437587      2.561197      5.431690
  H      -4.790632      2.850643      8.479347
  H      -3.996481      3.994927      7.383359
  H      -3.092610      1.205096      8.244966
  H      -2.195182      2.723476      8.457157
  C      -3.849072      4.964030     -1.134481
  C      -3.948911      4.145486      0.125429
  O      -3.102230      4.251688      1.017956
  C      -5.051692      3.145619      0.253006
  C      -6.122414      3.032984     -0.648886
  C      -7.059429      2.013044     -0.497560
  C      -6.912381      1.084441      0.530811
  F      -7.803568      0.089096      0.601833
  C      -5.870033      1.179738      1.476860
  C      -5.630732      0.150772      2.521035
  O      -6.137652     -0.964767      2.503083
  N      -4.692272      0.495204      3.523790
  C      -4.194751     -0.501077      4.289365
  C      -4.981265      2.238353      1.309949
  C      -7.928880      9.597449     -1.008953
  C      -7.492370      8.310380     -0.349871
  O      -7.859704      7.218098     -0.776558
  C      -6.583006      8.389084      0.838253
  C      -5.923610      9.571633      1.219048
  C      -5.050169      9.575416      2.302967
  C      -4.824304      8.392379      3.002331
  F      -3.986235      8.449118      4.055382
  C      -5.467053      7.189125      2.658677
  C      -5.273315      5.866191      3.320368
  O      -6.127575      4.985459      3.206464
  N      -4.056348      5.696546      4.009865
  C      -3.812768      4.463317      4.326511
  C      -6.362508      7.227911      1.583083
  C     -13.140492     -1.470649      3.124196
  C     -12.060393     -1.204320      4.149281
  O     -12.012850     -1.838644      5.199694
  C     -11.042830     -0.146928      3.851154
  C     -10.953609      0.487128      2.598805
  C      -9.974334      1.447137      2.363568
  C      -9.077784      1.762457      3.380896
  F      -8.141152      2.700960      3.122975
  C      -9.144866      1.175756      4.652192
  C      -8.268408      1.548390      5.808522
  O      -8.760944      1.612304      6.938935
  N      -6.923076      1.766927      5.491261
  C      -6.206820      2.180384      6.507372
  C     -10.150249      0.224989      4.862983
  H      -4.676427      5.687102     -1.209922
  H      -2.898474      5.508298     -1.140670
  H      -3.917631      4.316467     -2.021896
  H      -6.232321      3.737680     -1.474715
  H      -7.899987      1.905308     -1.184139
  H      -4.429076     -1.562980      4.145755
  H      -4.172862      2.356780      2.021994
  H      -8.373112     10.287798     -0.275564
  H      -7.061602     10.112765     -1.453051
  H      -8.654581      9.373636     -1.798335
  H      -6.083697     10.498850      0.666792
  H      -4.536705     10.484035      2.620144
  H      -4.618772      3.690622      3.966838
  H      -6.910206      6.316815      1.336263
  H     -13.861223     -2.185309      3.536550
  H     -12.698794     -1.894448      2.207438
  H     -13.656226     -0.542018      2.836267
  H     -11.647139      0.232193      1.796479
  H      -9.896838      1.961059      1.405323
  H      -6.685769      2.415490      7.474768
  H     -10.240124     -0.240917      5.845418
  N      -2.055058      1.862334      3.084473
  H      -1.962615      0.918597      2.694988
  H      -1.117134      2.157995      3.368321
  H      -2.296389      2.482944      2.297499
90
Coordinates from ORCA-job orca E -6670.464060331322
  N      -3.397918      0.019898      5.235188
  Mo     -3.635441      1.988761      4.782967
  N      -4.873757      2.301127      6.412682
  C      -4.181514      2.906013      7.550224
  C      -2.868124      2.171426      7.773472
  N      -2.126980      1.917753      6.475124
  C      -1.497283      0.548249      6.492829
  C      -2.587069     -0.499769      6.303450
  C      -1.078286      2.969998      6.233673
  C      -1.739359      4.274156      5.794217
  N      -2.857891      3.855386      4.982080
  H      -2.166849     -1.491845      6.082064
  H      -3.202280     -0.591543      7.214998
  H      -0.797071      0.509250      5.647824
  H      -0.935342      0.401231      7.427560
  H      -2.088097      4.880947      6.645346
  H      -1.033999      4.892340      5.216946
  H      -0.465924      3.099767      7.138634
  H      -0.420303      2.596132      5.438790
  H      -4.793679      2.825280      8.461850
  H      -4.011535      3.979147      7.367201
  H      -3.082369      1.196029      8.226084
  H      -2.204604      2.723350      8.454841
  C      -3.851050      4.985070     -1.074269
  C      -3.930092      4.137908      0.168065
  O      -3.048272      4.198280      1.030999
  C      -5.059538      3.174389      0.318143
  C      -6.154514      3.095279     -0.558093
  C      -7.111362      2.096938     -0.391891
  C      -6.962844      1.157820      0.626778
  F      -7.872749      0.181522      0.710726
  C      -5.899679      1.223608      1.551927
  C      -5.660304      0.184756      2.584777
  O      -6.200039     -0.914302      2.587630
  N      -4.681522      0.508484      3.553660
  C      -4.191107     -0.493038      4.313245
  C      -4.987709      2.258343      1.366351
  C      -7.948721      9.534798     -1.051520
  C      -7.514466      8.259443     -0.369297
  O      -7.902054      7.162133     -0.762856
  C      -6.582921      8.354861      0.799148
  C      -5.899838      9.536973      1.136682
  C      -5.005825      9.555259      2.203014
  C      -4.783906      8.387052      2.928021
  F      -3.923561      8.458379      3.961490
  C      -5.450393      7.185256      2.628434
  C      -5.263328      5.875914      3.316853
  O      -6.116659      4.994774      3.210153
  N      -4.045336      5.709361      4.012095
  C      -3.807863      4.471980      4.321306
  C      -6.364628      7.210280      1.568556
  C     -13.143776     -1.457238      3.028163
  C     -12.054005     -1.241840      4.055045
  O     -11.988244     -1.940653      5.062344
  C     -11.051796     -0.157690      3.812873
  C     -10.994165      0.561217      2.605642
  C     -10.028444      1.543899      2.415153
  C      -9.113889      1.796226      3.433853
  F      -8.186164      2.754056      3.217883
  C      -9.151968      1.126184      4.665591
  C      -8.257631      1.443479      5.825084
  O      -8.716661      1.392939      6.969093
  N      -6.922243      1.703894      5.493498
  C      -6.202547      2.131923      6.501588
  C     -10.143129      0.153018      4.830210
  H      -4.665368      5.724534     -1.106661
  H      -2.890344      5.509853     -1.095962
  H      -3.958250      4.361223     -1.974185
  H      -6.267880      3.808850     -1.375166
  H      -7.969609      2.014457     -1.058920
  H      -4.461814     -1.548228      4.186442
  H      -4.154391      2.349646      2.053343
  H      -8.372840     10.246524     -0.327431
  H      -7.084482     10.029954     -1.522332
  H      -8.690019      9.300320     -1.822493
  H      -6.057040     10.451744      0.564281
  H      -4.472999     10.463152      2.486615
  H      -4.611206      3.705431      3.960541
  H      -6.929112      6.301754      1.354550
  H     -13.849451     -2.206635      3.401816
  H     -12.708569     -1.814291      2.081052
  H     -13.675645     -0.519848      2.807666
  H     -11.702337      0.354585      1.803087
  H      -9.971812      2.120719      1.491866
  H      -6.674059      2.368285      7.471619
  H     -10.210218     -0.378367      5.780393
  N      -2.035280      1.838903      3.083298
  H      -1.943473      0.894650      2.695460
  H      -1.097244      2.131351      3.369986
  H      -2.272786      2.460501      2.294816
90
Coordinates from ORCA-job orca E -6670.466069714435
  N      -3.315985      0.026553      5.225421
  Mo     -3.593735      1.991466      4.783246
  N      -4.864928      2.255546      6.392188
  C      -4.194925      2.873270      7.536586
  C      -2.865249      2.170555      7.769445
  N      -2.099850      1.947064      6.481022
  C      -1.435563      0.596646      6.495197
  C      -2.493172     -0.482689      6.289307
  C      -1.076260      3.027268      6.259344
  C      -1.764510      4.317114      5.821851
  N      -2.861982      3.876100      4.992281
  H      -2.035439     -1.454386      6.052102
  H      -3.105479     -0.613598      7.197608
  H      -0.726177      0.584712      5.657291
  H      -0.878398      0.455325      7.433757
  H      -2.140585      4.904939      6.674549
  H      -1.068662      4.960115      5.260797
  H      -0.477674      3.164317      7.172382
  H      -0.400408      2.675912      5.469025
  H      -4.810113      2.772586      8.444434
  H      -4.052435      3.951073      7.358772
  H      -3.060129      1.185653      8.209530
  H      -2.226254      2.732871      8.465597
  C      -3.886182      4.979713     -1.050897
  C      -3.929629      4.101645      0.171139
  O      -3.014565      4.128504      1.001867
  C      -5.066304      3.153223      0.344145
  C      -6.184431      3.088629     -0.504042
  C      -7.142852      2.096144     -0.319121
  C      -6.977238      1.152159      0.692627
  F      -7.890061      0.180559      0.794527
  C      -5.894557      1.208177      1.594725
  C      -5.640827      0.171540      2.626692
  O      -6.193679     -0.918807      2.654674
  N      -4.633568      0.497546      3.565575
  C      -4.127942     -0.493870      4.327635
  C      -4.976203      2.231642      1.385573
  C      -7.957044      9.486890     -1.086304
  C      -7.528560      8.221527     -0.383894
  O      -7.926980      7.120562     -0.754667
  C      -6.588308      8.330563      0.775879
  C      -5.891393      9.511850      1.085513
  C      -4.987954      9.540631      2.142876
  C      -4.771042      8.384180      2.887842
  F      -3.898330      8.465730      3.909679
  C      -5.452549      7.184313      2.617691
  C      -5.271229      5.884382      3.323206
  O      -6.123767      5.002042      3.224540
  N      -4.059407      5.725664      4.032824
  C      -3.815355      4.485004      4.329707
  C      -6.374651      7.198954      1.564549
  C     -13.219550     -1.343204      2.941902
  C     -12.107213     -1.217846      3.958772
  O     -12.033237     -1.988848      4.910584
  C     -11.092064     -0.134611      3.774747
  C     -11.054639      0.674971      2.626603
  C     -10.076333      1.652533      2.483564
  C      -9.130047      1.808839      3.491398
  F      -8.185650      2.759353      3.318005
  C      -9.148396      1.047667      4.669377
  C      -8.219124      1.269821      5.824069
  O      -8.641335      1.128854      6.974077
  N      -6.900144      1.590443      5.480517
  C      -6.186971      2.043426      6.483395
  C     -10.150661      0.080970      4.786472
  H      -4.698374      5.720669     -1.038168
  H      -2.924740      5.501366     -1.089359
  H      -4.023482      4.379603     -1.962190
  H      -6.314332      3.807674     -1.313145
  H      -8.017176      2.022894     -0.965189
  H      -4.407849     -1.548999      4.221654
  H      -4.118734      2.308577      2.043345
  H      -8.371844     10.214041     -0.373076
  H      -7.092575      9.967124     -1.570537
  H      -8.704093      9.243472     -1.848386
  H      -6.044235     10.416836      0.497582
  H      -4.442847     10.447377      2.404032
  H      -4.605890      3.715374      3.959436
  H      -6.946546      6.291411      1.369528
  H     -13.926594     -2.110111      3.273809
  H     -12.808368     -1.632679      1.962330
  H     -13.743918     -0.386653      2.803745
  H     -11.788706      0.542578      1.832402
  H     -10.030351      2.295986      1.604771
  H      -6.658396      2.270597      7.454897
  H     -10.201715     -0.520897      5.694300
  N      -1.993748      1.851226      3.092372
  H      -1.888912      0.908941      2.703073
  H      -1.060589      2.152887      3.385901
  H      -2.234948      2.473917      2.304969
90
Coordinates from ORCA-job orca E -6670.467873026944
  N      -3.269107      0.029651      5.216724
  Mo     -3.571481      1.988598      4.773384
  N      -4.868563      2.225574      6.361103
  C      -4.218351      2.854264      7.511653
  C      -2.879531      2.172531      7.757635
  N      -2.093362      1.966660      6.479133
  C      -1.404523      0.628582      6.497116
  C      -2.439469     -0.472381      6.279207
  C      -1.085940      3.064110      6.270348
  C      -1.790056      4.342721      5.826852
  N      -2.869697      3.885284      4.981534
  H      -1.957035     -1.429629      6.031321
  H      -3.048680     -0.629338      7.184878
  H      -0.686977      0.631893      5.666143
  H      -0.852466      0.495417      7.440129
  H      -2.188082      4.919970      6.676773
  H      -1.098424      5.000251      5.277689
  H      -0.499667      3.207993      7.190466
  H      -0.396725      2.724525      5.486294
  H      -4.837569      2.743690      8.415762
  H      -4.093009      3.934560      7.334965
  H      -3.063342      1.182033      8.189836
  H      -2.258988      2.741582      8.465171
  C      -3.896983      4.996310     -0.990572
  C      -3.926611      4.095382      0.214241
  O      -2.984066      4.080005      1.015317
  C      -5.082797      3.174417      0.405007
  C      -6.224404      3.146309     -0.414199
  C      -7.200423      2.174018     -0.214370
  C      -7.033127      1.216733      0.785043
  F      -7.966894      0.266722      0.903129
  C      -5.928086      1.238989      1.660488
  C      -5.673847      0.196426      2.687611
  O      -6.240961     -0.885070      2.725124
  N      -4.627480      0.502404      3.592422
  C      -4.106785     -0.491299      4.343539
  C      -4.988344      2.238393      1.433294
  C      -7.921837      9.486178     -1.136266
  C      -7.515564      8.224099     -0.415629
  O      -7.945400      7.126270     -0.760461
  C      -6.557860      8.331783      0.730412
  C      -5.827166      9.500580      1.007854
  C      -4.908651      9.526133      2.052018
  C      -4.710024      8.379140      2.816799
  F      -3.819449      8.458489      3.823179
  C      -5.425728      7.192013      2.579764
  C      -5.267151      5.899047      3.303192
  O      -6.133562      5.028282      3.218395
  N      -4.062111      5.734562      4.022389
  C      -3.821054      4.490941      4.313866
  C      -6.361772      7.210439      1.538268
  C     -13.237803     -1.367684      2.900118
  C     -12.100184     -1.286973      3.893023
  O     -11.986644     -2.115784      4.790755
  C     -11.107987     -0.175275      3.752232
  C     -11.122711      0.713202      2.664132
  C     -10.163757      1.714364      2.556966
  C      -9.184098      1.815610      3.539331
  F      -8.259573      2.790545      3.397068
  C      -9.150655      0.973515      4.660776
  C      -8.187506      1.129426      5.798831
  O      -8.559510      0.872029      6.946486
  N      -6.887807      1.509374      5.447508
  C      -6.184697      1.979788      6.448496
  C     -10.134001     -0.015107      4.743607
  H      -4.696193      5.750152     -0.942424
  H      -2.927237      5.501543     -1.042902
  H      -4.067178      4.416923     -1.909979
  H      -6.359684      3.877981     -1.211291
  H      -8.092677      2.128211     -0.838436
  H      -4.403277     -1.544052      4.257631
  H      -4.106684      2.280924      2.060360
  H      -8.310845     10.236361     -0.432164
  H      -7.052111      9.936974     -1.639348
  H      -8.683563      9.246104     -1.885029
  H      -5.965376     10.397961      0.404429
  H      -4.336388     10.423355      2.287770
  H      -4.606907      3.722069      3.936501
  H      -6.957806      6.313349      1.367307
  H     -13.918932     -2.170781      3.199426
  H     -12.849173     -1.581242      1.892165
  H     -13.785925     -0.416065      2.841229
  H     -11.883581      0.624716      1.888773
  H     -10.156126      2.417861      1.724087
  H      -6.660023      2.198709      7.419970
  H     -10.143633     -0.680705      5.607475
  N      -1.971572      1.848168      3.091575
  H      -1.861552      0.905989      2.703597
  H      -1.040859      2.153577      3.389921
  H      -2.213429      2.471732      2.303931
90
Coordinates from ORCA-job orca E -6670.469412728790
  N      -3.215514      0.040325      5.202920
  Mo     -3.551033      1.997419      4.767753
  N      -4.872491      2.200789      6.337656
  C      -4.244599      2.835091      7.497828
  C      -2.896297      2.175401      7.754597
  N      -2.089892      1.994570      6.485426
  C      -1.373912      0.670950      6.505102
  C      -2.382450     -0.451905      6.267947
  C      -1.101112      3.111794      6.294096
  C      -1.824032      4.378719      5.848427
  N      -2.883185      3.905490      4.984775
  H      -1.872797     -1.392373      6.009963
  H      -2.992380     -0.637365      7.167361
  H      -0.646401      0.692183      5.683204
  H      -0.829789      0.545696      7.453752
  H      -2.245628      4.941300      6.696665
  H      -1.138468      5.054080      5.313572
  H      -0.527911      3.261068      7.221660
  H      -0.398309      2.788646      5.515357
  H      -4.868175      2.710103      8.397092
  H      -4.137193      3.918429      7.327348
  H      -3.067963      1.177412      8.174556
  H      -2.295230      2.748251      8.475823
  C      -3.949818      4.983992     -0.979192
  C      -3.943236      4.053404      0.201906
  O      -2.973748      4.013543      0.970132
  C      -5.104452      3.143304      0.416440
  C      -6.271519      3.137895     -0.366996
  C      -7.253689      2.176506     -0.144307
  C      -7.071554      1.211381      0.845104
  F      -8.015617      0.274594      0.987955
  C      -5.940849      1.212521      1.685917
  C      -5.671801      0.170876      2.711680
  O      -6.248643     -0.903473      2.772729
  N      -4.606062      0.482420      3.592461
  C      -4.070617     -0.495797      4.354013
  C      -4.990947      2.196240      1.433191
  C      -7.861668      9.511768     -1.170751
  C      -7.480724      8.251351     -0.434091
  O      -7.934705      7.157910     -0.761806
  C      -6.517782      8.355218      0.708561
  C      -5.761380      9.511667      0.967696
  C      -4.839948      9.531790      2.009226
  C      -4.663550      8.392367      2.790759
  F      -3.768336      8.468850      3.793214
  C      -5.405994      7.217654      2.573036
  C      -5.273996      5.930215      3.312487
  O      -6.149484      5.067425      3.226207
  N      -4.076143      5.754661      4.035649
  C      -3.834530      4.507846      4.315254
  C      -6.343425      7.241536      1.532251
  C     -13.268008     -1.364414      2.876799
  C     -12.110092     -1.321799      3.847904
  O     -11.972709     -2.187888      4.706044
  C     -11.126275     -0.198022      3.735768
  C     -11.174689      0.745902      2.696677
  C     -10.221887      1.755816      2.615731
  C      -9.215121      1.812108      3.574204
  F      -8.295148      2.794887      3.452848
  C      -9.147422      0.912024      4.647617
  C      -8.155434      1.005744      5.766658
  O      -8.479359      0.637726      6.899637
  N      -6.875981      1.440702      5.416896
  C      -6.181805      1.919148      6.418446
  C     -10.123935     -0.085039      4.705442
  H      -4.749183      5.734036     -0.887986
  H      -2.982613      5.492343     -1.047996
  H      -4.146542      4.427079     -1.907351
  H      -6.422981      3.878767     -1.152730
  H      -8.165197      2.147471     -0.741164
  H      -4.364904     -1.551209      4.294261
  H      -4.084440      2.213688      2.025126
  H      -8.233320     10.279681     -0.476314
  H      -6.983730      9.937456     -1.681584
  H      -8.629919      9.277218     -1.914756
  H      -5.882179     10.403322      0.351972
  H      -4.247449     10.419664      2.230673
  H      -4.612658      3.739058      3.926171
  H      -6.957371      6.354072      1.374242
  H     -13.935652     -2.186974      3.153207
  H     -12.900426     -1.526243      1.851354
  H     -13.825038     -0.416058      2.875327
  H     -11.957550      0.694713      1.939738
  H     -10.238596      2.501020      1.820042
  H      -6.662734      2.121518      7.390973
  H     -10.105200     -0.796000      5.532226
  N      -1.957262      1.877141      3.091271
  H      -1.841828      0.938161      2.697825
  H      -1.028843      2.186209      3.392571
  H      -2.204382      2.506314      2.308496
90
Coordinates from ORCA-job orca E -6670.470787103164
  N      -3.138221      0.030593      5.192762
  Mo     -3.519703      1.978914      4.751066
  N      -4.871718      2.153542      6.298746
  C      -4.275429      2.800265      7.468874
  C      -2.917793      2.169038      7.746499
  N      -2.086383      2.012083      6.490513
  C      -1.334778      0.707383      6.523447
  C      -2.306718     -0.443963      6.266761
  C      -1.122734      3.154376      6.315014
  C      -1.869425      4.402024      5.855156
  N      -2.899165      3.902757      4.969324
  H      -1.764803     -1.365501      6.006231
  H      -2.921648     -0.656426      7.156901
  H      -0.593588      0.746885      5.714525
  H      -0.803846      0.599705      7.481425
  H      -2.322130      4.953136      6.694719
  H      -1.191069      5.095350      5.334204
  H      -0.568596      3.318394      7.251631
  H      -0.400615      2.847685      5.547595
  H      -4.908771      2.662516      8.359415
  H      -4.188384      3.885752      7.300518
  H      -3.075491      1.165038      8.157862
  H      -2.341163      2.750323      8.480805
  C      -3.945855      5.021860     -0.912446
  C      -3.916963      4.062562      0.243847
  O      -2.927704      3.995313      0.984416
  C      -5.080048      3.155764      0.465540
  C      -6.264334      3.173406     -0.291286
  C      -7.249191      2.215692     -0.062676
  C      -7.055189      1.234342      0.908315
  F      -8.004105      0.303734      1.058532
  C      -5.906992      1.213209      1.723621
  C      -5.628145      0.160873      2.737037
  O      -6.202379     -0.914643      2.794578
  N      -4.546507      0.461836      3.602111
  C      -4.002308     -0.516381      4.358743
  C      -4.951526      2.189951      1.462984
  C      -7.868866      9.489549     -1.210454
  C      -7.497077      8.231304     -0.465390
  O      -7.966943      7.140196     -0.778237
  C      -6.522096      8.334381      0.667523
  C      -5.747945      9.483093      0.907975
  C      -4.817248      9.500944      1.941214
  C      -4.648834      8.367861      2.733832
  F      -3.743883      8.445483      3.727452
  C      -5.409036      7.200709      2.535078
  C      -5.287872      5.917346      3.285936
  O      -6.172711      5.061903      3.208955
  N      -4.097459      5.740813      4.013253
  C      -3.850831      4.493716      4.288519
  C      -6.354942      7.226952      1.501522
  C     -13.352769     -1.284101      2.876157
  C     -12.164248     -1.305040      3.810075
  O     -12.008849     -2.215689      4.617396
  C     -11.171147     -0.186003      3.724339
  C     -11.246659      0.819353      2.745851
  C     -10.284587      1.822565      2.690050
  C      -9.242234      1.812909      3.611861
  F      -8.313242      2.790419      3.512395
  C      -9.145478      0.848614      4.624992
  C      -8.114645      0.856774      5.711241
  O      -8.391584      0.390243      6.821208
  N      -6.858655      1.349147      5.365816
  C      -6.173969      1.833181      6.368794
  C     -10.130859     -0.141597      4.659013
  H      -4.745368      5.767339     -0.788715
  H      -2.980848      5.533683     -0.986860
  H      -4.158257      4.486957     -1.850355
  H      -6.427936      3.928945     -1.060584
  H      -8.173683      2.203460     -0.640053
  H      -4.296414     -1.572245      4.310867
  H      -4.028771      2.183748      2.029288
  H      -8.225109     10.268554     -0.520135
  H      -6.990098      9.899831     -1.732613
  H      -8.646277      9.257586     -1.945851
  H      -5.862639     10.370131      0.284270
  H      -4.210724     10.382968      2.148304
  H      -4.613377      3.720835      3.885772
  H      -6.981440      6.345425      1.357968
  H     -14.018715     -2.115910      3.128614
  H     -13.020444     -1.390731      1.831436
  H     -13.900572     -0.332880      2.946059
  H     -12.058056      0.822240      2.017637
  H     -10.321320      2.613821      1.940763
  H      -6.663149      2.015238      7.341733
  H     -10.088410     -0.901640      5.439853
  N      -1.912318      1.896417      3.091086
  H      -1.780676      0.961766      2.692787
  H      -0.991013      2.216373      3.402173
  H      -2.163149      2.528761      2.310756
90
Coordinates from ORCA-job orca E -6670.472055413519
  N      -3.074058      0.031402      5.196769
  Mo     -3.489909      1.973291      4.751051
  N      -4.856489      2.135748      6.285759
  C      -4.280004      2.787833      7.462264
  C      -2.918288      2.171946      7.751173
  N      -2.072645      2.031235      6.501989
  C      -1.297288      0.740257      6.545028
  C      -2.242331     -0.429198      6.277254
  C      -1.124729      3.188672      6.332437
  C      -1.885300      4.422890      5.862732
  N      -2.897020      3.906538      4.965365
  H      -1.676486     -1.335508      6.013597
  H      -2.858796     -0.663271      7.161131
  H      -0.547476      0.792227      5.744681
  H      -0.775163      0.646380      7.509222
  H      -2.355647      4.968596      6.696121
  H      -1.212368      5.126077      5.347915
  H      -0.580849      3.362982      7.273108
  H      -0.393340      2.889610      5.570609
  H      -4.919577      2.643611      8.347470
  H      -4.203053      3.874337      7.295783
  H      -3.067372      1.163252      8.154319
  H      -2.355609      2.755849      8.494291
  C      -4.026653      5.008185     -0.861516
  C      -3.964542      4.029333      0.276269
  O      -2.957181      3.955399      0.991179
  C      -5.116746      3.111290      0.509557
  C      -6.321301      3.134875     -0.214489
  C      -7.297699      2.171674      0.029544
  C      -7.077325      1.181265      0.985908
  F      -8.022812      0.250628      1.157036
  C      -5.907163      1.153437      1.768084
  C      -5.600469      0.102515      2.774534
  O      -6.151975     -0.984773      2.835243
  N      -4.513499      0.425808      3.625332
  C      -3.951767     -0.535563      4.388022
  C      -4.958518      2.131938      1.488899
  C      -7.897103      9.471443     -1.210270
  C      -7.529440      8.217704     -0.455080
  O      -8.018808      7.129182     -0.746396
  C      -6.534603      8.321534      0.660147
  C      -5.739724      9.461853      0.872009
  C      -4.791205      9.479091      1.889011
  C      -4.626640      8.354471      2.694598
  F      -3.703102      8.432547      3.670954
  C      -5.407831      7.196495      2.525127
  C      -5.292829      5.920413      3.290975
  O      -6.193440      5.079661      3.242964
  N      -4.099934      5.740377      4.010867
  C      -3.851555      4.492778      4.281685
  C      -6.369740      7.223131      1.506480
  C     -13.368234     -1.179118      2.798521
  C     -12.170990     -1.247073      3.719335
  O     -12.018337     -2.187865      4.491858
  C     -11.165712     -0.137082      3.663370
  C     -11.243609      0.909014      2.728087
  C     -10.271685      1.903852      2.700722
  C      -9.217078      1.846706      3.607295
  F      -8.282489      2.820744      3.536732
  C      -9.115373      0.838344      4.577084
  C      -8.070323      0.782083      5.647373
  O      -8.320763      0.230385      6.724256
  N      -6.825557      1.314700      5.329319
  C      -6.154565      1.788393      6.343841
  C     -10.111168     -0.143178      4.582569
  H      -4.835804      5.738652     -0.711148
  H      -3.071214      5.536581     -0.943259
  H      -4.246747      4.486685     -1.805476
  H      -6.508544      3.899692     -0.969271
  H      -8.237739      2.164305     -0.522471
  H      -4.234275     -1.595166      4.364387
  H      -4.016939      2.112632      2.023138
  H      -8.231840     10.264086     -0.524527
  H      -7.021731      9.863857     -1.751785
  H      -8.689323      9.240639     -1.930131
  H      -5.851822     10.342020      0.238026
  H      -4.167412     10.354150      2.073571
  H      -4.607214      3.718871      3.870238
  H      -7.009068      6.347602      1.383118
  H     -14.039010     -2.014858      3.024145
  H     -13.047648     -1.245649      1.746714
  H     -13.906861     -0.226783      2.912536
  H     -12.065023      0.950757      2.012386
  H     -10.310912      2.726191      1.985854
  H      -6.652610      1.946372      7.316709
  H     -10.063952     -0.936488      5.329179
  N      -1.895360      1.915417      3.085390
  H      -1.764869      0.983416      2.680532
  H      -0.972238      2.234999      3.391986
  H      -2.155401      2.553758      2.310927
90
Coordinates from ORCA-job orca E -6670.473228975964
  N      -3.000702      0.028849      5.200466
  Mo     -3.462193      1.962673      4.754900
  N      -4.838117      2.107765      6.284422
  C      -4.277924      2.764073      7.465810
  C      -2.909095      2.167560      7.759551
  N      -2.055220      2.047286      6.513450
  C      -1.252467      0.773908      6.563573
  C      -2.166889     -0.415455      6.286637
  C      -1.128090      3.223121      6.347831
  C      -1.908027      4.441783      5.872760
  N      -2.902259      3.906174      4.967291
  H      -1.574572     -1.304079      6.020285
  H      -2.783358     -0.672947      7.164195
  H      -0.496377      0.842474      5.770293
  H      -0.737719      0.693076      7.532869
  H      -2.394005      4.980299      6.701919
  H      -1.244553      5.157264      5.362343
  H      -0.591896      3.408680      7.290641
  H      -0.389014      2.935728      5.588591
  H      -4.921132      2.609371      8.346711
  H      -4.214873      3.851855      7.302565
  H      -3.045476      1.153681      8.154121
  H      -2.358708      2.754654      8.509446
  C      -4.128071      4.997378     -0.820111
  C      -4.024653      4.006021      0.303649
  O      -3.004751      3.948001      1.002197
  C      -5.156525      3.066272      0.550092
  C      -6.377542      3.080102     -0.146129
  C      -7.336027      2.102233      0.110902
  C      -7.082779      1.108287      1.055617
  F      -8.011736      0.164319      1.241760
  C      -5.894953      1.089457      1.810511
  C      -5.554380      0.039728      2.806460
  O      -6.078717     -1.061285      2.866717
  N      -4.468043      0.387194      3.647336
  C      -3.887442     -0.557774      4.414346
  C      -4.963053      2.079874      1.515719
  C      -7.929475      9.417057     -1.222451
  C      -7.563931      8.173559     -0.449048
  O      -8.066142      7.084574     -0.715640
  C      -6.556770      8.288164      0.653576
  C      -5.747786      9.423880      0.835208
  C      -4.787680      9.449356      1.841169
  C      -4.626927      8.338140      2.666209
  F      -3.690226      8.424151      3.629375
  C      -5.423176      7.186435      2.528206
  C      -5.314569      5.923858      3.318880
  O      -6.220983      5.089204      3.283489
  N      -4.115195      5.736950      4.024377
  C      -3.864117      4.487292      4.285319
  C      -6.394410      7.204369      1.518784
  C     -13.378323     -1.020090      2.691266
  C     -12.179952     -1.152088      3.604055
  O     -12.041288     -2.131759      4.329323
  C     -11.156885     -0.057560      3.598714
  C     -11.224497      1.038949      2.721026
  C     -10.236766      2.017864      2.738983
  C      -9.177297      1.895254      3.633485
  F      -8.228992      2.856808      3.607549
  C      -9.082534      0.833564      4.545986
  C      -8.025808      0.700554      5.597623
  O      -8.254696      0.063041      6.630769
  N      -6.793042      1.274448      5.311551
  C      -6.130753      1.731427      6.336867
  C     -10.094954     -0.131414      4.505932
  H      -4.958058      5.699890     -0.652775
  H      -3.190602      5.556437     -0.905063
  H      -4.341641      4.480864     -1.768400
  H      -6.591706      3.848605     -0.889995
  H      -8.287646      2.087101     -0.420611
  H      -4.156082     -1.620991      4.408597
  H      -4.006079      2.060074      2.022584
  H      -8.250134     10.224234     -0.546992
  H      -7.056609      9.792548     -1.779725
  H      -8.731146      9.181048     -1.929986
  H      -5.857257     10.292945      0.185704
  H      -4.151629     10.320236      2.001928
  H      -4.609546      3.713484      3.865567
  H      -7.042637      6.332733      1.417196
  H     -14.059692     -1.857970      2.872463
  H     -13.060832     -1.032543      1.636622
  H     -13.904433     -0.068535      2.859078
  H     -12.049893      1.132375      2.014955
  H     -10.267551      2.877580      2.068861
  H      -6.631387      1.855757      7.313573
  H     -10.052082     -0.965831      5.206532
  N      -1.885741      1.944796      3.074979
  H      -1.752398      1.017834      2.659101
  H      -0.961192      2.268029      3.373934
  H      -2.162358      2.588796      2.309428
90
Coordinates from ORCA-job orca E -6670.472719304234
  N      -2.926480      0.017001      5.196158
  Mo     -3.436454      1.945256      4.749825
  N      -4.837360      2.079588      6.262721
  C      -4.300852      2.743735      7.452405
  C      -2.924251      2.169323      7.763977
  N      -2.051652      2.066695      6.528512
  C      -1.217104      0.809735      6.593558
  C      -2.097287     -0.406799      6.296398
  C      -1.145570      3.263377      6.371647
  C      -1.944914      4.465150      5.877609
  N      -2.914042      3.903410      4.955224
  H      -1.474060     -1.278276      6.033449
  H      -2.721127     -0.687451      7.161658
  H      -0.446846      0.893769      5.813998
  H      -0.716145      0.745244      7.572712
  H      -2.455773      5.000621      6.695811
  H      -1.286318      5.191765      5.374939
  H      -0.624770      3.465524      7.321574
  H      -0.391127      2.986033      5.622585
  H      -4.953404      2.581400      8.325336
  H      -4.251608      3.833191      7.289579
  H      -3.050467      1.151400      8.153183
  H      -2.392262      2.763391      8.523353
  C      -4.214859      4.963454     -0.795796
  C      -4.060757      3.958508      0.314521
  O      -3.000566      3.883784      0.980206
  C      -5.181566      3.017896      0.583876
  C      -6.429631      3.043946     -0.069716
  C      -7.374363      2.067980      0.208555
  C      -7.081284      1.064009      1.133271
  F      -7.999830      0.124979      1.344617
  C      -5.864075      1.033337      1.844633
  C      -5.475953     -0.018818      2.825608
  O      -5.972295     -1.127812      2.883591
  N      -4.401768      0.336616      3.650456
  C      -3.802111     -0.587625      4.423049
  C      -4.948353      2.021327      1.529875
  C      -7.924869      9.451542     -1.218490
  C      -7.567905      8.204947     -0.451208
  O      -8.086692      7.126457     -0.712544
  C      -6.548867      8.303069      0.640965
  C      -5.722991      9.421393      0.815467
  C      -4.754121      9.428985      1.811220
  C      -4.600984      8.318101      2.633466
  F      -3.654403      8.387943      3.585728
  C      -5.413441      7.183708      2.502152
  C      -5.315155      5.920520      3.290505
  O      -6.238913      5.103327      3.268354
  N      -4.125329      5.723692      4.000506
  C      -3.875942      4.473646      4.262111
  C      -6.393484      7.219399      1.503268
  C     -13.398005     -0.969021      2.655148
  C     -12.193095     -1.116499      3.544077
  O     -12.042880     -2.112845      4.235012
  C     -11.173412     -0.020137      3.559689
  C     -11.258852      1.107552      2.725228
  C     -10.276940      2.092277      2.762517
  C      -9.203615      1.939634      3.636070
  F      -8.273714      2.924027      3.620735
  C      -9.082116      0.832608      4.509963
  C      -8.002812      0.643124      5.540856
  O      -8.193830     -0.064348      6.524741
  N      -6.785802      1.247673      5.271639
  C      -6.125503      1.685502      6.303499
  C     -10.093695     -0.128708      4.446363
  H      -5.050326      5.650700     -0.592177
  H      -3.285927      5.530104     -0.900812
  H      -4.453141      4.462789     -1.750592
  H      -6.673793      3.820575     -0.797100
  H      -8.345728      2.062787     -0.290210
  H      -4.054501     -1.650753      4.437452
  H      -3.971683      1.986537      2.000261
  H      -8.227830     10.260418     -0.541886
  H      -7.052766      9.812898     -1.780791
  H      -8.736487      9.229888     -1.917878
  H      -5.826594     10.290385      0.168372
  H      -4.104660     10.286341      1.966300
  H      -4.605281      3.696438      3.830745
  H      -7.054765      6.360945      1.407565
  H     -14.071576     -1.819259      2.815614
  H     -13.088658     -0.940436      1.600996
  H     -13.929911     -0.032656      2.862200
  H     -12.096540      1.227573      2.035411
  H     -10.324540      2.981744      2.123194
  H      -6.630318      1.785076      7.283685
  H     -10.031548     -0.993452      5.114872
  N      -1.854454      1.966585      3.078491
  H      -1.708874      1.042988      2.655984
  H      -0.933111      2.299012      3.382393
  H      -2.139182      2.613623      2.315789
90
Coordinates from ORCA-job orca E -6670.471819174742
  N      -2.854818      0.013619      5.184901
  Mo     -3.416847      1.932906      4.747653
  N      -4.836384      2.050072      6.246525
  C      -4.322153      2.715688      7.443443
  C      -2.937634      2.163430      7.764902
  N      -2.051264      2.084905      6.536952
  C      -1.184919      0.848401      6.610084
  C      -2.027263     -0.393574      6.294934
  C      -1.168368      3.301781      6.387903
  C      -1.986010      4.486862      5.882934
  N      -2.932055      3.903595      4.947973
  H      -1.371164     -1.242902      6.030389
  H      -2.653826     -0.704439      7.149195
  H      -0.404882      0.955288      5.841461
  H      -0.695452      0.796497      7.595514
  H      -2.517023      5.015860      6.692827
  H      -1.334591      5.225437      5.386953
  H      -0.660638      3.515286      7.342574
  H      -0.402635      3.037556      5.645134
  H      -4.982344      2.540241      8.308702
  H      -4.288004      3.806926      7.285298
  H      -3.050058      1.139442      8.144102
  H      -2.421576      2.760790      8.533305
  C      -4.246694      4.963820     -0.729008
  C      -4.071403      3.936019      0.351841
  O      -3.038850      3.856573      0.993212
  C      -5.172397      2.982575      0.620817
  C      -6.425873      3.019325     -0.004660
  C      -7.370877      2.039295      0.284946
  C      -7.067996      1.020620      1.192332
  F      -7.991685      0.083940      1.421978
  C      -5.834799      0.977046      1.870137
  C      -5.419153     -0.081170      2.834861
  O      -5.911358     -1.207265      2.887170
  N      -4.349061      0.296302      3.651022
  C      -3.724490     -0.608329      4.426467
  C      -4.924309      1.967146      1.545115
  C      -7.950250      9.447583     -1.225724
  C      -7.602583      8.204106     -0.447373
  O      -8.157094      7.127715     -0.677182
  C      -6.554451      8.300991      0.620095
  C      -5.698545      9.407827      0.759358
  C      -4.709136      9.411610      1.735845
  C      -4.567150      8.308904      2.574699
  F      -3.599361      8.374692      3.506964
  C      -5.407946      7.186851      2.477513
  C      -5.325430      5.930111      3.283009
  O      -6.272223      5.137237      3.292899
  N      -4.140548      5.722245      3.994164
  C      -3.895782      4.468968      4.250490
  C      -6.404903      7.226186      1.495996
  C     -13.446305     -0.870137      2.606154
  C     -12.232691     -1.073544      3.481781
  O     -12.085227     -2.119802      4.138778
  C     -11.195008      0.012116      3.532160
  C     -11.269903      1.164573      2.758198
  C     -10.274558      2.137959      2.829321
  C      -9.199589      1.949560      3.676596
  F      -8.272235      2.944033      3.689773
  C      -9.080671      0.807826      4.489933
  C      -7.986585      0.559122      5.486755
  O      -8.151508     -0.243481      6.420721
  N      -6.778390      1.220600      5.235773
  C      -6.119194      1.630815      6.278298
  C     -10.107838     -0.138047      4.392120
  H      -5.086883      5.629639     -0.513855
  H      -3.339358      5.549307     -0.829004
  H      -4.477002      4.480506     -1.678137
  H      -6.679414      3.808980     -0.715873
  H      -8.349953      2.044031     -0.190140
  H      -3.961382     -1.675605      4.456954
  H      -3.943547      1.915891      1.988045
  H      -8.217800     10.276889     -0.550442
  H      -7.081313      9.782269     -1.819613
  H      -8.786988      9.229480     -1.900934
  H      -5.795827     10.269871      0.100110
  H      -4.035400     10.259752      1.863441
  H      -4.611415      3.692656      3.803328
  H      -7.083855      6.376020      1.423157
  H     -14.126003     -1.727566      2.738391
  H     -13.149505     -0.794871      1.538376
  H     -13.968477      0.072032      2.867115
  H     -12.110927      1.315303      2.090269
  H     -10.314126      3.045603      2.239095
  H      -6.622278      1.687326      7.266426
  H     -10.049174     -1.026162      5.013383
  N      -1.848345      2.005005      3.065153
  H      -1.692573      1.086291      2.632389
  H      -0.926958      2.348636      3.362925
  H      -2.154380      2.655622      2.310314
90
Coordinates from ORCA-job orca E -6670.465748612098
  N      -2.846459      0.021891      5.190999
  Mo     -3.410727      1.936339      4.767570
  N      -4.815404      2.043893      6.267947
  C      -4.299054      2.696315      7.463985
  C      -2.918834      2.138621      7.774006
  N      -2.040870      2.068964      6.543048
  C      -1.178372      0.836166      6.604260
  C      -2.017640     -0.395426      6.291127
  C      -1.159401      3.280214      6.397378
  C      -1.970553      4.468178      5.907927
  N      -2.919741      3.899695      4.977788
  H      -1.366498     -1.240718      6.019719
  H      -2.639657     -0.711007      7.146629
  H      -0.404510      0.951649      5.833735
  H      -0.687095      0.775569      7.583332
  H      -2.493797      4.990769      6.721939
  H      -1.320221      5.205981      5.414296
  H      -0.649495      3.481469      7.348248
  H      -0.400202      3.020565      5.650582
  H      -4.957419      2.513805      8.328396
  H      -4.263339      3.786591      7.314311
  H      -3.029800      1.111898      8.142894
  H      -2.399333      2.725812      8.542299
  C      -4.179545      5.039516     -0.695146
  C      -4.009251      4.006446      0.378771
  O      -2.962610      3.959541      1.037077
  C      -5.129133      3.019120      0.623480
  C      -6.383186      3.038646     -0.022967
  C      -7.354146      2.038027      0.245713
  C      -7.079417      1.016972      1.156235
  F      -8.026269      0.062916      1.366741
  C      -5.850512      0.985327      1.856191
  C      -5.464676     -0.080589      2.819038
  O      -5.973578     -1.221846      2.850183
  N      -4.361722      0.319812      3.661341
  C      -3.733504     -0.598572      4.431757
  C      -4.904134      1.992936      1.544847
  C      -8.055983      9.296323     -1.239591
  C      -7.671878      8.074121     -0.435868
  O      -8.206186      6.977558     -0.638907
  C      -6.613109      8.217598      0.619615
  C      -5.774113      9.352591      0.723630
  C      -4.771813      9.400915      1.692755
  C      -4.603700      8.314510      2.560719
  F      -3.625194      8.421806      3.486806
  C      -5.429259      7.166194      2.499468
  C      -5.327604      5.924717      3.335480
  O      -6.255461      5.117693      3.353079
  N      -4.130315      5.732061      4.040061
  C      -3.883355      4.476612      4.289325
  C      -6.433834      7.160545      1.521083
  C     -13.477465     -0.734605      2.581652
  C     -12.263570     -0.982470      3.466610
  O     -12.163653     -1.989113      4.114270
  C     -11.187457      0.062844      3.520064
  C     -11.230990      1.231070      2.728885
  C     -10.193481      2.150176      2.816811
  C      -9.117684      1.914102      3.686453
  F      -8.131424      2.822848      3.739890
  C      -9.049785      0.805284      4.485672
  C      -7.967997      0.558505      5.469066
  O      -8.154181     -0.233758      6.395451
  N      -6.748414      1.218509      5.239309
  C      -6.098213      1.621094      6.294675
  C     -10.105799     -0.116037      4.388023
  H      -5.052067      5.699137     -0.466476
  H      -3.253458      5.652580     -0.777080
  H      -4.395156      4.539644     -1.667244
  H      -6.618403      3.830690     -0.734367
  H      -8.329614      2.031349     -0.248386
  H      -3.974707     -1.677183      4.451062
  H      -3.919082      1.949164      2.001356
  H      -8.333366     10.131834     -0.574383
  H      -7.204252      9.645478     -1.852779
  H      -8.893774      9.042907     -1.903451
  H      -5.893922     10.200670      0.042296
  H      -4.109844     10.270127      1.792759
  H      -4.605053      3.706692      3.837244
  H      -7.094735      6.288499      1.469728
  H     -14.188975     -1.543818      2.708303
  H     -13.193321     -0.680743      1.530397
  H     -13.955916      0.217982      2.827761
  H     -12.071857      1.417063      2.047061
  H     -10.198454      3.050641      2.227334
  H      -6.600434      1.664059      7.279341
  H     -10.079037     -1.000337      5.013193
  N      -1.865763      2.020412      3.060630
  H      -1.720300      1.107659      2.618762
  H      -0.942149      2.355962      3.345193
  H      -2.181182      2.675435      2.319452
90
Coordinates from ORCA-job orca E -6670.467743954964
  N      -2.853723      0.029365      5.210339
  Mo     -3.416237      1.940904      4.782197
  N      -4.819742      2.050853      6.274055
  C      -4.304420      2.703224      7.473035
  C      -2.928563      2.142128      7.787662
  N      -2.048972      2.069385      6.560228
  C      -1.189752      0.834963      6.625891
  C      -2.030294     -0.388873      6.311789
  C      -1.165774      3.274710      6.416958
  C      -1.971044      4.463394      5.924347
  N      -2.918444      3.901186      4.991193
  H      -1.385842     -1.234996      6.044171
  H      -2.652541     -0.697913      7.165220
  H      -0.414503      0.945669      5.859711
  H      -0.701849      0.772831      7.606442
  H      -2.495403      4.986152      6.735717
  H      -1.317704      5.197444      5.433932
  H      -0.658897      3.473722      7.369368
  H      -0.405711      3.013409      5.673958
  H      -4.962461      2.523273      8.336777
  H      -4.266512      3.792428      7.322886
  H      -3.043484      1.116856      8.156025
  H      -2.410878      2.726916      8.557173
  C      -4.329191      4.981058     -0.826801
  C      -4.139584      3.972524      0.270188
  O      -3.047455      3.947798      0.902653
  C      -5.231601      2.987197      0.574644
  C      -6.485085      2.985585     -0.043023
  C      -7.401267      1.989342      0.260354
  C      -7.084706      0.992905      1.180529
  F      -7.978364      0.037993      1.419182
  C      -5.872535      0.982311      1.861219
  C      -5.466303     -0.064707      2.834174
  O      -5.905484     -1.175863      2.888166
  N      -4.371405      0.331805      3.674572
  C      -3.749457     -0.591674      4.448667
  C      -4.968941      1.987948      1.514586
  C      -7.949215      9.379540     -1.229071
  C      -7.583342      8.147981     -0.436945
  O      -8.100314      7.066827     -0.672135
  C      -6.553299      8.267538      0.641767
  C      -5.720488      9.391616      0.778141
  C      -4.737490      9.421373      1.763539
  C      -4.581001      8.327061      2.615868
  F      -3.619984      8.415981      3.558082
  C      -5.403205      7.188516      2.524946
  C      -5.313097      5.941106      3.345407
  O      -6.236550      5.132161      3.337997
  N      -4.119303      5.738207      4.052606
  C      -3.875884      4.482455      4.300532
  C      -6.391353      7.200853      1.530668
  C     -13.409719     -0.830271      2.612294
  C     -12.189880     -1.047245      3.492050
  O     -12.047533     -2.082602      4.164399
  C     -11.152127      0.036198      3.518339
  C     -11.239197      1.228355      2.693865
  C     -10.236012      2.187659      2.753810
  C      -9.151279      1.971599      3.626153
  F      -8.190035      2.899210      3.665153
  C      -9.039354      0.831169      4.459184
  C      -7.946182      0.592654      5.445947
  O      -8.108874     -0.184300      6.369328
  N      -6.739268      1.227839      5.228303
  C      -6.101876      1.630787      6.291351
  C     -10.062501     -0.125029      4.388971
  H      -5.185655      5.629496     -0.599327
  H      -3.417746      5.596297     -0.948360
  H      -4.558492      4.471132     -1.776838
  H      -6.752071      3.756432     -0.765023
  H      -8.371050      1.965840     -0.214413
  H      -3.995940     -1.670406      4.469248
  H      -3.979185      1.960961      1.950658
  H      -8.245033     10.200953     -0.566608
  H      -7.087198      9.733156     -1.807125
  H      -8.764441      9.142793     -1.916223
  H      -5.827672     10.246662      0.107570
  H      -4.080185     10.282279      1.887640
  H      -4.601004      3.713522      3.847723
  H      -7.052234      6.336783      1.457157
  H     -14.095955     -1.664245      2.757537
  H     -13.119934     -0.777804      1.548254
  H     -13.921352      0.119345      2.853790
  H     -12.083984      1.392913      2.014457
  H     -10.273674      3.109926      2.137785
  H      -6.610128      1.681278      7.268130
  H     -10.003795     -1.023406      5.034366
  N      -1.869742      2.007569      3.080701
  H      -1.729121      1.095370      2.641759
  H      -0.948994      2.336360      3.366936
  H      -2.179767      2.661387      2.339342
90
Coordinates from ORCA-job orca E -6670.469406940285
  N      -2.839232      0.025784      5.196447
  Mo     -3.410140      1.937481      4.760174
  N      -4.830944      2.049284      6.250035
  C      -4.319085      2.715378      7.451245
  C      -2.937455      2.164162      7.776127
  N      -2.048886      2.089112      6.550468
  C      -1.179585      0.856915      6.625528
  C      -2.015973     -0.380606      6.308860
  C      -1.169974      3.306465      6.407017
  C      -1.987623      4.489057      5.902275
  N      -2.928097      3.907387      4.962894
  H      -1.361246     -1.227497      6.048722
  H      -2.642539     -0.689390      7.161238
  H      -0.398412      0.967688      5.861337
  H      -0.694889      0.802008      7.613823
  H      -2.524358      5.014626      6.710473
  H      -1.335600      5.229614      5.410686
  H      -0.667267      3.517860      7.364788
  H      -0.399595      3.048510      5.667159
  H      -4.980710      2.537154      8.314069
  H      -4.286190      3.806326      7.294082
  H      -3.050827      1.140178      8.152668
  H      -2.425004      2.760319      8.547633
  C      -4.352536      4.925142     -0.804344
  C      -4.159490      3.911719      0.291360
  O      -3.109728      3.856710      0.929484
  C      -5.239943      2.947147      0.588133
  C      -6.514736      2.953464     -0.017066
  C      -7.424177      1.966482      0.294510
  C      -7.077686      0.972175      1.208510
  F      -7.974376      0.026347      1.461963
  C      -5.834907      0.959631      1.872629
  C      -5.407052     -0.080070      2.846020
  O      -5.857020     -1.192793      2.912127
  N      -4.342974      0.307425      3.663177
  C      -3.722995     -0.598806      4.437185
  C      -4.948288      1.955504      1.519328
  C      -7.884624      9.490546     -1.214797
  C      -7.547748      8.241740     -0.441408
  O      -8.087095      7.174469     -0.691119
  C      -6.520479      8.324577      0.639784
  C      -5.671448      9.424645      0.798256
  C      -4.697060      9.418723      1.784414
  C      -4.563885      8.312596      2.613252
  F      -3.611391      8.365655      3.555747
  C      -5.399773      7.197159      2.500400
  C      -5.325068      5.940971      3.304604
  O      -6.265174      5.142684      3.291788
  N      -4.135271      5.730259      4.014112
  C      -3.888972      4.476757      4.262239
  C      -6.382637      7.244358      1.507833
  C     -13.415656     -0.886569      2.608976
  C     -12.202436     -1.064917      3.477668
  O     -12.055233     -2.068258      4.131974
  C     -11.175589      0.016998      3.517464
  C     -11.264073      1.156243      2.735142
  C     -10.284643      2.141690      2.785034
  C      -9.207892      1.976330      3.624908
  F      -8.288148      2.972601      3.629410
  C      -9.070093      0.828013      4.459262
  C      -7.964269      0.579355      5.460190
  O      -8.118653     -0.232492      6.418178
  N      -6.761792      1.221581      5.224239
  C      -6.114894      1.626308      6.275094
  C     -10.086840     -0.122764      4.375871
  H      -5.196362      5.578395     -0.584091
  H      -3.453033      5.519788     -0.916336
  H      -4.586433      4.431437     -1.754628
  H      -6.802157      3.725684     -0.732196
  H      -8.419356      1.945811     -0.164529
  H      -3.959103     -1.662904      4.462650
  H      -3.948764      1.929726      1.944680
  H      -8.166006     10.311974     -0.542372
  H      -7.009697      9.829175     -1.786205
  H      -8.703643      9.280556     -1.905305
  H      -5.759957     10.290267      0.145332
  H      -4.028409     10.261449      1.926275
  H      -4.600529      3.702951      3.809903
  H      -7.059209      6.397666      1.420666
  H     -14.092439     -1.739193      2.745783
  H     -13.120066     -0.824010      1.556446
  H     -13.939021      0.038529      2.851690
  H     -12.107420      1.292000      2.072806
  H     -10.341813      3.051339      2.180003
  H      -6.619817      1.678064      7.256971
  H     -10.019196     -1.005042      5.004394
  N      -1.847676      2.007276      3.069677
  H      -1.695019      1.091575      2.633356
  H      -0.926781      2.346428      3.365385
  H      -2.154560      2.656994      2.318237
90
Coordinates from ORCA-job orca E -6670.464271622296
  N      -2.840482      0.019604      5.187128
  Mo     -3.412351      1.928645      4.748617
  N      -4.823746      2.046315      6.251486
  C      -4.304357      2.718180      7.444055
  C      -2.917736      2.169946      7.760361
  N      -2.038657      2.091216      6.527135
  C      -1.169675      0.862657      6.602279
  C      -2.009487     -0.381153      6.298330
  C      -1.161000      3.311538      6.370516
  C      -1.982582      4.492174      5.865192
  N      -2.929703      3.901991      4.935798
  H      -1.353298     -1.229709      6.038398
  H      -2.631065     -0.688174      7.158437
  H      -0.393499      0.973955      5.830636
  H      -0.678647      0.812469      7.589392
  H      -2.513570      5.022647      6.675349
  H      -1.333845      5.232365      5.363444
  H      -0.650943      3.528492      7.324730
  H      -0.394942      3.050907      5.624438
  H      -4.961564      2.542081      8.312328
  H      -4.274456      3.809435      7.280105
  H      -3.026533      1.146445      8.142426
  H      -2.398178      2.770911      8.526159
  C      -4.240537      4.958680     -0.650755
  C      -4.060575      3.925648      0.422626
  O      -3.035720      3.841871      1.078685
  C      -5.165031      2.964479      0.665317
  C      -6.433738      2.991685      0.029544
  C      -7.387521      1.998841      0.305492
  C      -7.081689      0.981888      1.212108
  F      -8.017190      0.031420      1.434028
  C      -5.829787      0.952831      1.898880
  C      -5.432504     -0.107897      2.862604
  O      -5.963207     -1.264934      2.899904
  N      -4.349956      0.289997      3.675080
  C      -3.725081     -0.608456      4.443156
  C      -4.908704      1.950480      1.579732
  C      -7.999505      9.424327     -1.208865
  C      -7.644362      8.184426     -0.423249
  O      -8.210001      7.099684     -0.633154
  C      -6.575999      8.289946      0.624902
  C      -5.709551      9.396782      0.741057
  C      -4.704839      9.405363      1.701462
  C      -4.559957      8.307808      2.546089
  F      -3.578138      8.373849      3.463107
  C      -5.411581      7.187627      2.473585
  C      -5.332688      5.939526      3.296392
  O      -6.280908      5.146328      3.308546
  N      -4.134928      5.727681      3.992993
  C      -3.895365      4.470651      4.239913
  C      -6.421175      7.220322      1.506383
  C     -13.445467     -0.800482      2.538623
  C     -12.238392     -1.029338      3.421012
  O     -12.107071     -2.103652      4.073747
  C     -11.187469      0.044281      3.492173
  C     -11.243187      1.194427      2.735485
  C     -10.236209      2.149045      2.824722
  C      -9.168071      1.941855      3.679661
  F      -8.226657      2.923464      3.717608
  C      -9.074231      0.806685      4.477263
  C      -7.986891      0.552099      5.475167
  O      -8.167999     -0.232252      6.372779
  N      -6.768812      1.206611      5.251344
  C      -6.107038      1.621048      6.290627
  C     -10.111368     -0.128517      4.361653
  H      -5.099858      5.621942     -0.433158
  H      -3.332824      5.549019     -0.725346
  H      -4.460430      4.473757     -1.617615
  H      -6.687506      3.783608     -0.676236
  H      -8.377129      1.992431     -0.175976
  H      -3.958896     -1.670915      4.475883
  H      -3.920096      1.911234      2.024762
  H      -8.252921     10.263057     -0.533514
  H      -7.137626      9.753274     -1.823220
  H      -8.848443      9.199716     -1.868689
  H      -5.810263     10.254398      0.077108
  H      -4.023155     10.252403      1.811429
  H      -4.610754      3.700374      3.794955
  H      -7.107900      6.369590      1.450636
  H     -14.138861     -1.656372      2.659042
  H     -13.139782     -0.717324      1.471070
  H     -13.960865      0.147157      2.805984
  H     -12.081317      1.366652      2.057871
  H     -10.265457      3.057075      2.245057
  H      -6.600435      1.674547      7.277300
  H     -10.070910     -1.021935      4.974889
  N      -1.866273      2.001846      3.036090
  H      -1.715451      1.083725      2.598799
  H      -0.937977      2.346231      3.322028
  H      -2.182298      2.648533      2.284557
90
Coordinates from ORCA-job orca E -6670.469617314455
  N      -2.843853      0.021937      5.211511
  Mo     -3.413317      1.929229      4.775469
  N      -4.813348      2.047957      6.274368
  C      -4.292290      2.711062      7.466609
  C      -2.911529      2.157727      7.779124
  N      -2.036531      2.079028      6.547158
  C      -1.174158      0.849258      6.619225
  C      -2.013515     -0.382867      6.316876
  C      -1.157747      3.289765      6.390323
  C      -1.970248      4.471963      5.888283
  N      -2.919180      3.895303      4.961971
  H      -1.364363     -1.229811      6.055001
  H      -2.631449     -0.687393      7.176005
  H      -0.401049      0.957935      5.849077
  H      -0.683815      0.794186      7.600996
  H      -2.495015      5.001459      6.696739
  H      -1.320486      5.205408      5.388684
  H      -0.647421      3.500365      7.340703
  H      -0.397593      3.026438      5.645523
  H      -4.946240      2.534627      8.334928
  H      -4.259838      3.799906      7.307017
  H      -3.022199      1.134483      8.156277
  H      -2.392027      2.751090      8.544114
  C      -4.324303      4.960824     -0.743625
  C      -4.119020      3.950676      0.346230
  O      -3.029014      3.910018      0.970102
  C      -5.216818      2.973887      0.641248
  C      -6.461713      2.990720      0.021165
  C      -7.400431      1.996075      0.317230
  C      -7.096810      0.983737      1.228456
  F      -8.005105      0.031477      1.459849
  C      -5.876667      0.958374      1.905579
  C      -5.470506     -0.100508      2.868216
  O      -5.953573     -1.244851      2.910477
  N      -4.371092      0.301780      3.692559
  C      -3.740419     -0.608938      4.468641
  C      -4.967455      1.961106      1.569772
  C      -8.035528      9.364279     -1.208622
  C      -7.660353      8.134865     -0.415589
  O      -8.207351      7.045801     -0.622773
  C      -6.592330      8.259827      0.633241
  C      -5.739633      9.381208      0.737846
  C      -4.726233      9.411776      1.697732
  C      -4.559771      8.321533      2.556335
  F      -3.566855      8.411232      3.471620
  C      -5.401476      7.186529      2.495813
  C      -5.309483      5.943223      3.323213
  O      -6.247015      5.145063      3.342089
  N      -4.111631      5.734106      4.021297
  C      -3.879406      4.475378      4.269555
  C      -6.417549      7.198819      1.527064
  C     -13.396239     -0.761705      2.486178
  C     -12.197938     -1.003408      3.378530
  O     -12.088219     -2.045565      4.013858
  C     -11.142981      0.066201      3.468096
  C     -11.196658      1.279631      2.688848
  C     -10.176834      2.223621      2.811113
  C      -9.109524      1.963314      3.705112
  F      -8.138093      2.886182      3.804936
  C      -9.033815      0.814556      4.484535
  C      -7.958101      0.550453      5.474576
  O      -8.140351     -0.278041      6.395030
  N      -6.743530      1.221695      5.251487
  C      -6.094675      1.625622      6.304960
  C     -10.069621     -0.129948      4.356369
  H      -5.184297      5.613153     -0.509842
  H      -3.414029      5.570684     -0.863300
  H      -4.559884      4.456086     -1.692781
  H      -6.714488      3.773856     -0.693828
  H      -8.365420      1.987411     -0.157390
  H      -3.985038     -1.686937      4.504569
  H      -3.989591      1.921507      2.007273
  H      -8.300921     10.198530     -0.539890
  H      -7.182737      9.703333     -1.821316
  H      -8.880415      9.127193     -1.868592
  H      -5.856163     10.232155      0.063283
  H      -4.053616     10.270062      1.796915
  H      -4.604355      3.709439      3.822540
  H      -7.091822      6.339203      1.478035
  H     -14.092425     -1.595122      2.589639
  H     -13.089274     -0.676018      1.434221
  H     -13.902089      0.179762      2.750720
  H     -12.027034      1.475049      1.994571
  H     -10.184139      3.149091      2.240407
  H      -6.591842      1.669610      7.289690
  H     -10.035691     -1.041454      4.965767
  N      -1.877647      1.987586      3.061076
  H      -1.736808      1.072096      2.625034
  H      -0.952554      2.321456      3.341882
  H      -2.193233      2.635669      2.314862
90
Coordinates from ORCA-job orca E -6670.464962637619
  N      -2.816950      0.024557      5.207380
  Mo     -3.399915      1.933398      4.774825
  N      -4.831215      2.036336      6.249583
  C      -4.331848      2.698938      7.456166
  C      -2.952638      2.152933      7.790381
  N      -2.054318      2.086501      6.574262
  C      -1.179794      0.859843      6.651786
  C      -2.002792     -0.378938      6.323488
  C      -1.183773      3.305998      6.442907
  C      -2.001693      4.484097      5.933743
  N      -2.928556      3.903152      4.984851
  H      -1.340414     -1.219157      6.066362
  H      -2.634218     -0.694833      7.167981
  H      -0.393206      0.977588      5.896432
  H      -0.706170      0.801725      7.641118
  H      -2.548301      5.003714      6.736251
  H      -1.349926      5.227130      5.452155
  H      -0.692806      3.516620      7.403424
  H      -0.406548      3.055450      5.711195
  H      -4.998974      2.514934      8.312184
  H      -4.303100      3.788465      7.302665
  H      -3.065023      1.128011      8.161398
  H      -2.452246      2.746874      8.567025
  C      -4.419965      4.933121     -0.895024
  C      -4.197875      3.932488      0.208877
  O      -3.121621      3.925517      0.830864
  C      -5.268354      2.941573      0.541055
  C      -6.543535      2.922713     -0.047980
  C      -7.449642      1.925171      0.287716
  C      -7.090689      0.940026      1.206506
  F      -7.980551     -0.013296      1.477499
  C      -5.847422      0.944718      1.855857
  C      -5.392874     -0.085428      2.830237
  O      -5.796369     -1.176698      2.901463
  N      -4.324802      0.305498      3.661874
  C      -3.696552     -0.605426      4.443151
  C      -4.966622      1.954395      1.483696
  C      -7.877963      9.480619     -1.209405
  C      -7.534621      8.233066     -0.440809
  O      -8.062523      7.170466     -0.699047
  C      -6.512861      8.317752      0.646420
  C      -5.672805      9.424180      0.809900
  C      -4.698834      9.424707      1.801697
  C      -4.558410      8.318127      2.633804
  F      -3.604176      8.379717      3.581751
  C      -5.388199      7.195163      2.516600
  C      -5.309659      5.939483      3.320393
  O      -6.239438      5.133288      3.303477
  N      -4.125876      5.732330      4.036569
  C      -3.882250      4.477210      4.278798
  C      -6.368565      7.236639      1.515834
  C     -13.417259     -0.851341      2.621160
  C     -12.196397     -1.048607      3.491678
  O     -12.050247     -2.043763      4.146697
  C     -11.163185      0.026072      3.524496
  C     -11.250627      1.183288      2.728569
  C     -10.258364      2.155071      2.783827
  C      -9.177145      1.971446      3.631642
  F      -8.241166      2.944447      3.649734
  C      -9.050461      0.830660      4.453975
  C      -7.944257      0.585314      5.433347
  O      -8.086729     -0.186422      6.343740
  N      -6.752616      1.214358      5.206766
  C      -6.112379      1.612888      6.265293
  C     -10.070194     -0.116297      4.377697
  H      -5.276686      5.569090     -0.657496
  H      -3.521618      5.555535     -1.030237
  H      -4.655982      4.424775     -1.840669
  H      -6.843047      3.684247     -0.769178
  H      -8.446409      1.890770     -0.160131
  H      -3.929718     -1.679250      4.465890
  H      -3.962191      1.941048      1.900578
  H      -8.167705     10.293217     -0.535427
  H      -7.004815      9.827720     -1.773620
  H      -8.692643      9.269224     -1.904823
  H      -5.766542     10.290184      0.155358
  H      -4.035698     10.273076      1.945985
  H      -4.586670      3.705613      3.814416
  H      -7.036530      6.386340      1.421855
  H     -14.095030     -1.690483      2.762706
  H     -13.130448     -0.793586      1.560889
  H     -13.934237      0.087317      2.867574
  H     -12.095254      1.326734      2.066212
  H     -10.304252      3.066919      2.180419
  H      -6.620972      1.658826      7.245202
  H     -10.003271     -0.998155      5.005727
  N      -1.830962      2.009790      3.095959
  H      -1.673198      1.099059      2.656551
  H      -0.918669      2.347165      3.398421
  H      -2.135795      2.660343      2.347751
90
Coordinates from ORCA-job orca E -6670.466857976680
  N      -2.811725      0.030415      5.197835
  Mo     -3.397522      1.936711      4.763598
  N      -4.820900      2.040711      6.248685
  C      -4.315349      2.711121      7.449366
  C      -2.929868      2.169742      7.775491
  N      -2.039328      2.101808      6.550165
  C      -1.161834      0.877515      6.627201
  C      -1.989128     -0.368801      6.312318
  C      -1.169536      3.327689      6.406923
  C      -1.993958      4.503946      5.899261
  N      -2.928274      3.913004      4.958675
  H      -1.324545     -1.211693      6.055430
  H      -2.615998     -0.683945      7.165358
  H      -0.379581      0.998483      5.863850
  H      -0.680730      0.823888      7.617453
  H      -2.536636      5.027250      6.706098
  H      -1.345820      5.250038      5.407699
  H      -0.670866      3.543203      7.365708
  H      -0.394734      3.075871      5.668353
  H      -4.979974      2.526815      8.309792
  H      -4.290601      3.802540      7.290337
  H      -3.036008      1.143761      8.151274
  H      -2.422112      2.769332      8.547775
  C      -4.370205      4.904241     -0.787969
  C      -4.171410      3.890460      0.304599
  O      -3.130840      3.840147      0.945476
  C      -5.256403      2.914007      0.599254
  C      -6.554147      2.894005     -0.003785
  C      -7.467240      1.893179      0.316828
  C      -7.108850      0.909645      1.236274
  F      -8.011173     -0.050467      1.498874
  C      -5.839653      0.921950      1.896055
  C      -5.393053     -0.108386      2.868214
  O      -5.868092     -1.231763      2.937147
  N      -4.323552      0.296626      3.679155
  C      -3.694105     -0.599387      4.450032
  C      -4.948687      1.930636      1.532445
  C      -7.884434      9.506083     -1.202233
  C      -7.545446      8.256659     -0.430302
  O      -8.084721      7.193961     -0.677407
  C      -6.518114      8.334988      0.645415
  C      -5.667202      9.431534      0.799668
  C      -4.693919      9.420956      1.780452
  C      -4.566664      8.313057      2.607900
  F      -3.615073      8.357397      3.544787
  C      -5.403805      7.202724      2.500890
  C      -5.330568      5.949456      3.311017
  O      -6.266681      5.149232      3.296610
  N      -4.134846      5.741062      4.019058
  C      -3.889643      4.484388      4.257080
  C      -6.383928      7.253003      1.512058
  C     -13.420617     -0.828681      2.566344
  C     -12.202387     -1.043294      3.440915
  O     -12.049452     -2.100098      4.095813
  C     -11.170972      0.038224      3.493114
  C     -11.258626      1.193642      2.724753
  C     -10.276745      2.167196      2.784026
  C      -9.198799      1.982389      3.618497
  F      -8.286696      2.986188      3.624138
  C      -9.063935      0.816579      4.446269
  C      -7.957065      0.547082      5.451652
  O      -8.118236     -0.282112      6.404605
  N      -6.748819      1.205068      5.220495
  C      -6.104541      1.607559      6.274729
  C     -10.084607     -0.127866      4.351029
  H      -5.230030      5.560398     -0.564365
  H      -3.462939      5.507127     -0.887002
  H      -4.599521      4.398648     -1.748478
  H      -6.850601      3.658670     -0.721487
  H      -8.476432      1.851183     -0.140479
  H      -3.923462     -1.660338      4.481625
  H      -3.930982      1.925609      1.953096
  H      -8.163442     10.326184     -0.528833
  H      -7.012463      9.846199     -1.776110
  H      -8.703891      9.295009     -1.889432
  H      -5.752478     10.298233      0.147304
  H      -4.022268     10.260222      1.919045
  H      -4.596383      3.714996      3.801204
  H      -7.061653      6.408088      1.425825
  H     -14.104757     -1.677516      2.690894
  H     -13.126958     -0.751945      1.510345
  H     -13.937645      0.103438      2.822401
  H     -12.108902      1.355382      2.058840
  H     -10.340709      3.097302      2.182471
  H      -6.606714      1.646519      7.258916
  H     -10.018630     -1.033974      4.977232
  N      -1.844957      2.016347      3.055291
  H      -1.688606      1.101997      2.614745
  H      -0.922345      2.360805      3.346068
  H      -2.161098      2.663824      2.306134
90
Coordinates from ORCA-job orca E -6670.469570360749
  N      -2.829850      0.017240      5.207455
  Mo     -3.412083      1.920297      4.765703
  N      -4.814232      2.042109      6.266753
  C      -4.293486      2.713877      7.457134
  C      -2.908253      2.167791      7.771189
  N      -2.032731      2.088191      6.537546
  C      -1.161651      0.862977      6.615399
  C      -1.996274     -0.377839      6.317942
  C      -1.159674      3.305915      6.374823
  C      -1.980666      4.481309      5.865986
  N      -2.926951      3.891728      4.940945
  H      -1.341297     -1.223528      6.060982
  H      -2.613680     -0.681780      7.179295
  H      -0.387708      0.973138      5.844346
  H      -0.670945      0.814488      7.600347
  H      -2.509829      5.012894      6.672115
  H      -1.334119      5.217737      5.361865
  H      -0.649915      3.525376      7.325881
  H      -0.396137      3.044344      5.630349
  H      -4.947320      2.538460      8.326621
  H      -4.265564      3.803206      7.291508
  H      -3.014693      1.145233      8.153928
  H      -2.389818      2.768265      8.534404
  C      -4.351715      4.934906     -0.676970
  C      -4.147121      3.918632      0.404716
  O      -3.092655      3.859270      1.035278
  C      -5.231859      2.948926      0.682766
  C      -6.481780      2.969532      0.065063
  C      -7.401162      1.976076      0.353161
  C      -7.085177      0.961892      1.257255
  F      -7.983135      0.009223      1.486454
  C      -5.862750      0.935846      1.930669
  C      -5.457842     -0.126225      2.888672
  O      -5.972754     -1.288699      2.928640
  N      -4.362520      0.280299      3.699520
  C      -3.727551     -0.620536      4.472477
  C      -4.966238      1.935977      1.600142
  C      -8.022628      9.416913     -1.199461
  C      -7.663764      8.179292     -0.406243
  O      -8.239229      7.091137     -0.601496
  C      -6.581014      8.289458      0.631425
  C      -5.704842      9.397197      0.727921
  C      -4.685020      9.410023      1.679090
  C      -4.533861      8.316469      2.534942
  F      -3.534345      8.387870      3.440560
  C      -5.396472      7.195273      2.481835
  C      -5.319531      5.950022      3.310588
  O      -6.271141      5.164667      3.331255
  N      -4.120377      5.727455      4.002273
  C      -3.889874      4.467909      4.245822
  C      -6.419881      7.224729      1.523486
  C     -13.379913     -0.774001      2.464785
  C     -12.186667     -1.003723      3.355561
  O     -12.070210     -2.045908      3.986913
  C     -11.142671      0.070812      3.448579
  C     -11.197839      1.248345      2.693113
  C     -10.195311      2.205184      2.808010
  C      -9.135464      1.977447      3.682281
  F      -8.191276      2.928370      3.767708
  C      -9.044793      0.827951      4.462765
  C      -7.965095      0.558288      5.457679
  O      -8.145670     -0.258018      6.355784
  N      -6.749873      1.215248      5.251328
  C      -6.096393      1.616168      6.301572
  C     -10.074626     -0.113308      4.328996
  H      -5.207043      5.585359     -0.457281
  H      -3.456174      5.536551     -0.780473
  H      -4.579129      4.438647     -1.623901
  H      -6.745286      3.756895     -0.642315
  H      -8.372018      1.966367     -0.117668
  H      -3.966028     -1.693527      4.514881
  H      -3.985985      1.898256      2.033887
  H      -8.265315     10.261668     -0.527049
  H      -7.167298      9.738847     -1.825010
  H      -8.879756      9.192378     -1.849504
  H      -5.809822     10.251157      0.055220
  H      -3.995858     10.257074      1.773057
  H      -4.610335      3.701551      3.798714
  H      -7.113087      6.374847      1.482424
  H     -14.071981     -1.622072      2.563760
  H     -13.063799     -0.680812      1.414394
  H     -13.896126      0.158782      2.730274
  H     -12.024649      1.427072      2.008684
  H     -10.217416      3.126069      2.239600
  H      -6.590954      1.660267      7.287159
  H     -10.035464     -1.016990      4.930861
  N      -1.881575      1.984547      3.041885
  H      -1.737097      1.067381      2.605340
  H      -0.953187      2.325344      3.320013
  H      -2.202548      2.629612      2.293483
90
Coordinates from ORCA-job orca E -6670.467269620865
  N      -2.795390      0.026014      5.216679
  Mo     -3.395947      1.927314      4.778436
  N      -4.819465      2.028081      6.257679
  C      -4.317436      2.700236      7.456611
  C      -2.932799      2.165696      7.786327
  N      -2.040705      2.099152      6.567475
  C      -1.157735      0.880234      6.647359
  C      -1.974401     -0.366150      6.330448
  C      -1.180030      3.323287      6.425430
  C      -2.007124      4.493662      5.913371
  N      -2.935243      3.903405      4.971754
  H      -1.307075     -1.203111      6.075528
  H      -2.600516     -0.682020      7.178493
  H      -0.375518      1.000236      5.888826
  H      -0.679227      0.829935      7.634581
  H      -2.553283      5.014565      6.714651
  H      -1.361618      5.237441      5.426239
  H      -0.686460      3.542362      7.382676
  H      -0.403857      3.073195      5.692866
  H      -4.978502      2.514629      8.316762
  H      -4.298877      3.789098      7.296922
  H      -3.035907      1.141550      8.161748
  H      -2.432702      2.767212      8.556979
  C      -4.439523      4.904488     -0.870795
  C      -4.172650      3.907926      0.233741
  O      -3.043097      3.923619      0.844696
  C      -5.251545      2.904402      0.572497
  C      -6.534704      2.887841     -0.005983
  C      -7.465041      1.883279      0.331273
  C      -7.107464      0.891923      1.246356
  F      -8.019728     -0.066412      1.523753
  C      -5.852698      0.897110      1.884632
  C      -5.397137     -0.132527      2.857428
  O      -5.820660     -1.258952      2.936891
  N      -4.321474      0.286290      3.682365
  C      -3.680154     -0.611908      4.466697
  C      -4.953278      1.909822      1.508314
  C      -7.950684      9.452644     -1.198718
  C      -7.591203      8.212006     -0.424048
  O      -8.128012      7.131209     -0.664778
  C      -6.549239      8.313134      0.647569
  C      -5.706177      9.427556      0.790458
  C      -4.714062      9.440009      1.771252
  C      -4.557405      8.339054      2.613193
  F      -3.584226      8.414208      3.549056
  C      -5.392698      7.208346      2.514035
  C      -5.312830      5.954813      3.320042
  O      -6.246571      5.152114      3.311136
  N      -4.128573      5.736372      4.031274
  C      -3.891199      4.476810      4.269953
  C      -6.388197      7.240222      1.524556
  C     -13.433669     -0.741373      2.489999
  C     -12.232349     -0.989006      3.380646
  O     -12.124222     -2.027987      4.014530
  C     -11.163244      0.066677      3.473478
  C     -11.198295      1.263039      2.704931
  C     -10.163840      2.212181      2.827671
  C      -9.096043      1.953581      3.718174
  F      -8.109825      2.886236      3.821145
  C      -9.029049      0.795434      4.491038
  C      -7.945952      0.523647      5.471106
  O      -8.111380     -0.270479      6.375333
  N      -6.746259      1.189298      5.233975
  C      -6.095869      1.595565      6.286595
  C     -10.078533     -0.134303      4.361139
  H      -5.310489      5.525287     -0.602447
  H      -3.542067      5.543245     -1.024579
  H      -4.691159      4.394477     -1.824395
  H      -6.833923      3.653735     -0.722133
  H      -8.471152      1.850918     -0.108568
  H      -3.907731     -1.689512      4.498449
  H      -3.947424      1.896570      1.918724
  H      -8.232177     10.270852     -0.528059
  H      -7.087497      9.796290     -1.780526
  H      -8.777975      9.234182     -1.878648
  H      -5.812854     10.286699      0.130328
  H      -4.050673     10.292639      1.898639
  H      -4.598278      3.705175      3.808303
  H      -7.054916      6.387886      1.446508
  H     -14.134047     -1.580106      2.600293
  H     -13.128846     -0.659607      1.421482
  H     -13.934977      0.216242      2.763118
  H     -12.027097      1.455504      2.018749
  H     -10.159256      3.134814      2.265031
  H      -6.591897      1.632909      7.272921
  H     -10.047977     -1.033445      4.961278
  N      -1.840945      1.999645      3.082155
  H      -1.682523      1.088857      2.645736
  H      -0.928300      2.343117      3.375748
  H      -2.154091      2.642784      2.335319
90
Coordinates from ORCA-job orca E -6670.468993571697
  N      -2.803590      0.025603      5.202888
  Mo     -3.398029      1.928709      4.764064
  N      -4.827880      2.035486      6.239349
  C      -4.329043      2.707860      7.442039
  C      -2.945379      2.170481      7.776318
  N      -2.048613      2.102984      6.556967
  C      -1.167619      0.882318      6.641439
  C      -1.986641     -0.365523      6.323711
  C      -1.184068      3.329690      6.415750
  C      -2.009389      4.500388      5.899403
  N      -2.934971      3.905514      4.954813
  H      -1.318077     -1.205182      6.074227
  H      -2.616325     -0.679721      7.172519
  H      -0.381838      1.003471      5.883654
  H      -0.694005      0.830965      7.633985
  H      -2.558441      5.023136      6.700399
  H      -1.362162      5.246352      5.410371
  H      -0.692745      3.549475      7.376113
  H      -0.404709      3.080030      5.683097
  H      -4.996652      2.524092      8.299171
  H      -4.305758      3.797503      7.280611
  H      -3.051610      1.146142      8.153652
  H      -2.444851      2.771978      8.550010
  C      -4.410214      4.903186     -0.806192
  C      -4.208805      3.888306      0.280801
  O      -3.171160      3.854451      0.914277
  C      -5.274692      2.903762      0.587024
  C      -6.550687      2.883474     -0.011119
  C      -7.457326      1.880551      0.317576
  C      -7.104417      0.893686      1.238927
  F      -7.996236     -0.063811      1.504739
  C      -5.848609      0.903586      1.892023
  C      -5.390251     -0.122539      2.864724
  O      -5.816478     -1.218999      2.946502
  N      -4.319660      0.282478      3.679038
  C      -3.684474     -0.611763      4.455669
  C      -4.969544      1.915949      1.523775
  C      -7.875310      9.533243     -1.191956
  C      -7.540291      8.279287     -0.431619
  O      -8.080426      7.227299     -0.692192
  C      -6.510233      8.345845      0.645379
  C      -5.652859      9.439367      0.805959
  C      -4.674193      9.422406      1.787866
  C      -4.549119      8.310856      2.611525
  F      -3.591193      8.351001      3.549807
  C      -5.394655      7.201944      2.498729
  C      -5.326828      5.945786      3.305508
  O      -6.263889      5.145423      3.292151
  N      -4.134607      5.734723      4.013630
  C      -3.892078      4.478111      4.247680
  C      -6.378471      7.259339      1.507234
  C     -13.405869     -0.845176      2.589445
  C     -12.184978     -1.048786      3.456924
  O     -12.029004     -2.075930      4.107200
  C     -11.160249      0.035713      3.498945
  C     -11.258028      1.207111      2.714693
  C     -10.270181      2.168462      2.780561
  C      -9.186073      1.974745      3.623779
  F      -8.266377      2.963581      3.643472
  C      -9.055527      0.825801      4.438124
  C      -7.948474      0.567093      5.427175
  O      -8.099049     -0.241751      6.358642
  N      -6.750030      1.207974      5.202473
  C      -6.109646      1.605466      6.260303
  C     -10.069550     -0.121859      4.352172
  H      -5.267159      5.560135     -0.581688
  H      -3.508527      5.513757     -0.910659
  H      -4.637901      4.395490     -1.754436
  H      -6.842928      3.648494     -0.732016
  H      -8.446602      1.841058     -0.137553
  H      -3.911564     -1.676884      4.490458
  H      -3.966951      1.908990      1.944030
  H      -8.150642     10.348597     -0.511011
  H      -7.000632      9.873742     -1.764880
  H      -8.698509      9.329051     -1.881531
  H      -5.735705     10.309480      0.156764
  H      -3.995650     10.260730      1.929498
  H      -4.593460      3.709236      3.785841
  H      -7.061944      6.417307      1.416400
  H     -14.084126     -1.677062      2.716187
  H     -13.118088     -0.776524      1.549030
  H     -13.922519      0.074000      2.836131
  H     -12.114718      1.376967      2.042778
  H     -10.331505      3.093490      2.182457
  H      -6.614207      1.644273      7.242607
  H      -9.993823     -1.031278      4.982788
  N      -1.846694      2.005470      3.059504
  H      -1.688621      1.092671      2.619591
  H      -0.928255      2.349410      3.351292
  H      -2.163978      2.651349      2.310367
90
Coordinates from ORCA-job orca E -6670.468418557873
  N      -2.816109      0.021092      5.208238
  Mo     -3.410316      1.919538      4.766422
  N      -4.814771      2.042110      6.261361
  C      -4.299870      2.716410      7.452730
  C      -2.914795      2.174387      7.771653
  N      -2.035846      2.096661      6.540039
  C      -1.158838      0.876134      6.621550
  C      -1.984056     -0.368840      6.322052
  C      -1.168581      3.318404      6.377610
  C      -1.992753      4.488085      5.863566
  N      -2.933063      3.893078      4.936302
  H      -1.323310     -1.210928      6.067873
  H      -2.603183     -0.675984      7.181697
  H      -0.382313      0.990334      5.853414
  H      -0.671405      0.830405      7.607881
  H      -2.527234      5.019637      6.666212
  H      -1.347474      5.226426      5.360072
  H      -0.663263      3.542359      7.329681
  H      -0.401128      3.058907      5.636446
  H      -4.956298      2.540080      8.320283
  H      -4.275054      3.805572      7.286006
  H      -3.019053      1.151445      8.154443
  H      -2.400966      2.776947      8.536049
  C      -4.382475      4.900358     -0.697707
  C      -4.170865      3.892657      0.388727
  O      -3.115879      3.840556      1.012972
  C      -5.259357      2.917418      0.679557
  C      -6.528163      2.926311      0.075428
  C      -7.438448      1.929114      0.377408
  C      -7.098983      0.921585      1.278486
  F      -7.985715     -0.034909      1.520890
  C      -5.864002      0.906714      1.940354
  C      -5.444955     -0.147142      2.898877
  O      -5.935953     -1.306632      2.938932
  N      -4.353709      0.272335      3.705680
  C      -3.714129     -0.622347      4.479461
  C      -4.975237      1.910798      1.596346
  C      -7.972538      9.480466     -1.190651
  C      -7.622483      8.234873     -0.409706
  O      -8.187956      7.164349     -0.623820
  C      -6.556257      8.322211      0.636273
  C      -5.686441      9.417583      0.752942
  C      -4.682225      9.410741      1.708625
  C      -4.541632      8.309411      2.549064
  F      -3.557180      8.359345      3.459394
  C      -5.396385      7.201491      2.477996
  C      -5.321605      5.952309      3.296556
  O      -6.271653      5.170076      3.307553
  N      -4.123968      5.729742      3.995052
  C      -3.894353      4.470499      4.236360
  C      -6.405417      7.248382      1.515000
  C     -13.358772     -0.780142      2.476162
  C     -12.160605     -1.023632      3.371408
  O     -12.037012     -2.069082      4.003560
  C     -11.127690      0.057565      3.456931
  C     -11.193331      1.223041      2.706342
  C     -10.216705      2.200814      2.795994
  C      -9.166286      2.006097      3.643503
  F      -8.251876      2.981018      3.702823
  C      -9.051393      0.840130      4.438883
  C      -7.961940      0.560582      5.432469
  O      -8.139977     -0.284022      6.347491
  N      -6.744381      1.219861      5.234310
  C      -6.098389      1.611608      6.289831
  C     -10.069721     -0.107648      4.316146
  H      -5.243412      5.547583     -0.475343
  H      -3.482858      5.507526     -0.809438
  H      -4.613807      4.392510     -1.647136
  H      -6.807449      3.708929     -0.630204
  H      -8.423340      1.910207     -0.079973
  H      -3.949552     -1.696631      4.526300
  H      -3.982481      1.882234      2.019555
  H      -8.220489     10.315290     -0.515168
  H      -7.113915      9.805793     -1.800480
  H      -8.820617      9.268212     -1.849860
  H      -5.783402     10.278697      0.090492
  H      -3.995647     10.248428      1.818067
  H      -4.609931      3.705922      3.784253
  H      -7.096089      6.405299      1.458256
  H     -14.044701     -1.646303      2.577769
  H     -13.037871     -0.675531      1.400866
  H     -13.887698      0.170874      2.755451
  H     -12.012365      1.373281      2.043799
  H     -10.255092      3.124302      2.221382
  H      -6.596918      1.647212      7.273949
  H     -10.027207     -1.001461      4.912049
  N      -1.881815      1.987968      3.039417
  H      -1.734868      1.070525      2.601946
  H      -0.953297      2.332352      3.317294
  H      -2.206300      2.633118      2.291148
90
Coordinates from ORCA-job orca E -6670.468477215494
  N      -2.778555      0.019421      5.219559
  Mo     -3.392226      1.915654      4.776909
  N      -4.801056      2.022334      6.270748
  C      -4.289990      2.701854      7.462131
  C      -2.898272      2.174478      7.780652
  N      -2.017329      2.105233      6.551902
  C      -1.128360      0.890977      6.633331
  C      -1.945215     -0.362857      6.332059
  C      -1.160833      3.334255      6.391583
  C      -1.995673      4.498448      5.876953
  N      -2.931219      3.896463      4.947318
  H      -1.277129     -1.200374      6.077962
  H      -2.563550     -0.674823      7.189951
  H      -0.351732      1.010127      5.866626
  H      -0.640660      0.849244      7.619506
  H      -2.536223      5.025236      6.679215
  H      -1.355333      5.241952      5.376510
  H      -0.658309      3.562843      7.344092
  H      -0.389949      3.081250      5.652132
  H      -4.942608      2.517989      8.330541
  H      -4.277445      3.791501      7.295955
  H      -2.993632      1.150474      8.162809
  H      -2.391225      2.782196      8.544976
  C      -4.454916      4.897327     -0.723165
  C      -4.211159      3.888793      0.366542
  O      -3.130272      3.868370      0.990473
  C      -5.276386      2.896830      0.668739
  C      -6.552296      2.893483      0.075854
  C      -7.467194      1.889891      0.388583
  C      -7.112238      0.888560      1.291761
  F      -8.012949     -0.073348      1.549216
  C      -5.862149      0.883469      1.939319
  C      -5.417291     -0.162456      2.901452
  O      -5.890086     -1.329084      2.953421
  N      -4.325347      0.261044      3.711566
  C      -3.672891     -0.627750      4.489506
  C      -4.974219      1.894537      1.586420
  C      -8.007168      9.440640     -1.194625
  C      -7.654980      8.200575     -0.402027
  O      -8.236965      7.109835     -0.598293
  C      -6.570030      8.308432      0.637380
  C      -5.688395      9.416390      0.735158
  C      -4.666253      9.427678      1.689372
  C      -4.516098      8.333030      2.548030
  F      -3.511579      8.405871      3.455556
  C      -5.385634      7.210513      2.492652
  C      -5.316478      5.962638      3.317113
  O      -6.270941      5.177922      3.334380
  N      -4.123645      5.731134      4.012653
  C      -3.893047      4.468952      4.249900
  C      -6.411353      7.242826      1.531198
  C     -13.405583     -0.713870      2.381420
  C     -12.220093     -0.952109      3.282330
  O     -12.116197     -2.009268      3.909385
  C     -11.156350      0.102337      3.408177
  C     -11.195165      1.295479      2.661071
  C     -10.173965      2.241707      2.809623
  C      -9.109160      1.974346      3.713619
  F      -8.144517      2.917530      3.835840
  C      -9.030072      0.803135      4.480959
  C      -7.945903      0.514355      5.477425
  O      -8.112901     -0.297194      6.361385
  N      -6.736395      1.180279      5.259492
  C      -6.079062      1.584985      6.307720
  C     -10.075024     -0.123936      4.319277
  H      -5.319569      5.516481     -0.487992
  H      -3.575343      5.525166     -0.846879
  H      -4.681353      4.401821     -1.669582
  H      -6.849074      3.669485     -0.629332
  H      -8.466446      1.864606     -0.060236
  H      -3.898120     -1.702752      4.535607
  H      -3.973539      1.874650      2.003353
  H      -8.245363     10.286344     -0.522154
  H      -7.149641      9.757358     -1.820415
  H      -8.866728      9.221950     -1.843835
  H      -5.791460     10.270509      0.061241
  H      -3.973744     10.274181      1.783596
  H      -4.605292      3.699449      3.795072
  H      -7.107551      6.395052      1.488616
  H     -14.106813     -1.547814      2.461746
  H     -13.092151     -0.619994      1.346810
  H     -13.904097      0.208565      2.645618
  H     -12.025019      1.501413      1.959139
  H     -10.180270      3.179766      2.251120
  H      -6.569444      1.621369      7.296235
  H     -10.043318     -1.042314      4.913885
  N      -1.860642      1.988441      3.055059
  H      -1.706511      1.074118      2.618983
  H      -0.938992      2.338088      3.334984
  H      -2.187493      2.629393      2.307952
90
Coordinates from ORCA-job orca E -6670.467787504777
  N      -2.797900      0.027586      5.213037
  Mo     -3.403519      1.925089      4.766704
  N      -4.833393      2.038502      6.239862
  C      -4.336905      2.715781      7.440169
  C      -2.953596      2.182892      7.777427
  N      -2.056696      2.112962      6.559929
  C      -1.171156      0.897393      6.651881
  C      -1.982381     -0.353713      6.336947
  C      -1.197678      3.340467      6.413136
  C      -2.025400      4.504446      5.887949
  N      -2.946117      3.902773      4.944226
  H      -1.309906     -1.190436      6.092615
  H      -2.611694     -0.666671      7.184642
  H      -0.384585      1.018076      5.896365
  H      -0.700892      0.852103      7.645197
  H      -2.577499      5.029931      6.683865
  H      -1.380377      5.248542      5.396417
  H      -0.709491      3.567525      7.372576
  H      -0.416634      3.089816      5.683784
  H      -5.004160      2.534409      8.297220
  H      -4.315909      3.803591      7.273904
  H      -3.058352      1.160890      8.158396
  H      -2.455561      2.787478      8.548909
  C      -4.493309      4.866981     -0.861894
  C      -4.248794      3.866909      0.238273
  O      -3.144896      3.860367      0.855038
  C      -5.308512      2.867611      0.578851
  C      -6.586926      2.831321      0.002198
  C      -7.483301      1.819459      0.350094
  C      -7.115438      0.839438      1.273991
  F      -8.000093     -0.125372      1.558995
  C      -5.858967      0.865501      1.910137
  C      -5.384358     -0.147901      2.887371
  O      -5.785663     -1.245722      2.981578
  N      -4.320237      0.268058      3.693613
  C      -3.681597     -0.618231      4.474175
  C      -4.987178      1.886597      1.519909
  C      -7.852071      9.591357     -1.174341
  C      -7.524264      8.331014     -0.423516
  O      -8.073869      7.279436     -0.689839
  C      -6.494191      8.384059      0.652243
  C      -5.632040      9.471133      0.819763
  C      -4.651241      9.441831      1.800765
  C      -4.528011      8.324947      2.616674
  F      -3.566335      8.354859      3.553087
  C      -5.381126      7.220796      2.495774
  C      -5.320493      5.958459      3.291303
  O      -6.264060      5.165044      3.274661
  N      -4.134288      5.735034      4.000776
  C      -3.899847      4.475801      4.233319
  C      -6.366323      7.292776      1.505592
  C     -13.393093     -0.843014      2.543418
  C     -12.179050     -1.059923      3.413633
  O     -12.037872     -2.090637      4.048862
  C     -11.146079      0.030431      3.477850
  C     -11.215732      1.217804      2.711574
  C     -10.206311      2.175562      2.816541
  C      -9.129900      1.955874      3.682302
  F      -8.180773      2.930606      3.756720
  C      -9.036784      0.814446      4.454845
  C      -7.946236      0.558314      5.427863
  O      -8.100874     -0.249073      6.333927
  N      -6.753502      1.209971      5.205221
  C      -6.112020      1.608062      6.263144
  C     -10.059823     -0.138140      4.344978
  H      -5.359854      5.512626     -0.609899
  H      -3.592622      5.492665     -0.995675
  H      -4.742298      4.347841     -1.812976
  H      -6.891204      3.589155     -0.721053
  H      -8.473106      1.770576     -0.091075
  H      -3.906833     -1.682626      4.518087
  H      -3.981697      1.890513      1.926588
  H      -8.123028     10.403011     -0.492053
  H      -6.976886      9.926322     -1.741992
  H      -8.674911      9.400404     -1.863094
  H      -5.712691     10.343893      0.177830
  H      -3.970908     10.273804      1.946910
  H      -4.599247      3.708894      3.769286
  H      -7.051625      6.459154      1.409700
  H     -14.068520     -1.696958      2.665280
  H     -13.088632     -0.753520      1.485051
  H     -13.924997      0.089685      2.812770
  H     -12.062871      1.403329      2.026701
  H     -10.235612      3.099894      2.248380
  H      -6.614026      1.642075      7.247291
  H     -10.002097     -1.057801      4.959799
  N      -1.857843      1.998426      3.058830
  H      -1.698984      1.086649      2.621921
  H      -0.942555      2.343738      3.346609
  H      -2.178520      2.640055      2.310033
90
Coordinates from ORCA-job orca E -6670.470447137552
  N      -2.776303      0.021445      5.209889
  Mo     -3.394592      1.915800      4.774594
  N      -4.810264      2.017782      6.257319
  C      -4.310997      2.692527      7.454897
  C      -2.921724      2.164923      7.780580
  N      -2.032721      2.102686      6.555859
  C      -1.141184      0.891495      6.638208
  C      -1.949338     -0.363315      6.327344
  C      -1.178556      3.334260      6.405282
  C      -2.011874      4.496380      5.888704
  N      -2.938196      3.894659      4.951464
  H      -1.275635     -1.196940      6.074201
  H      -2.572273     -0.682103      7.180413
  H      -0.359501      1.018571      5.877230
  H      -0.660505      0.847219      7.626601
  H      -2.559472      5.019595      6.688396
  H      -1.370617      5.243263      5.394115
  H      -0.684017      3.560133      7.361503
  H      -0.402257      3.085700      5.670202
  H      -4.971403      2.504482      8.316931
  H      -4.298212      3.782659      7.293493
  H      -3.017197      1.138501      8.156923
  H      -2.420532      2.769281      8.550859
  C      -4.409243      4.903700     -0.748056
  C      -4.184058      3.896808      0.338734
  O      -3.155184      3.874149      0.962641
  C      -5.262166      2.904411      0.642463
  C      -6.540474      2.898018      0.049711
  C      -7.461514      1.892383      0.370951
  C      -7.108470      0.889152      1.275069
  F      -8.005965     -0.070671      1.535046
  C      -5.858267      0.886796      1.925213
  C      -5.413989     -0.155488      2.887849
  O      -5.856795     -1.288234      2.938505
  N      -4.322437      0.266446      3.702906
  C      -3.668574     -0.626957      4.478580
  C      -4.969321      1.900254      1.566093
  C      -7.955557      9.475218     -1.198433
  C      -7.598329      8.231296     -0.425636
  O      -8.143894      7.171007     -0.659259
  C      -6.545820      8.316479      0.633708
  C      -5.690084      9.415068      0.766297
  C      -4.691923      9.410790      1.732443
  C      -4.548113      8.308004      2.570835
  F      -3.569256      8.361534      3.492316
  C      -5.393571      7.196041      2.486779
  C      -5.319003      5.946500      3.305151
  O      -6.254440      5.151697      3.298919
  N      -4.129002      5.731115      4.014317
  C      -3.895370      4.471449      4.246541
  C      -6.392348      7.240290      1.509031
  C     -13.395121     -0.740693      2.492479
  C     -12.186838     -0.996118      3.386555
  O     -12.062553     -2.028645      4.017668
  C     -11.143236      0.063768      3.468741
  C     -11.222508      1.255204      2.700304
  C     -10.239538      2.229059      2.783497
  C      -9.170605      2.009259      3.637675
  F      -8.243865      2.973004      3.698712
  C      -9.043892      0.819164      4.442300
  C      -7.940507      0.523707      5.431304
  O      -8.098840     -0.316383      6.339779
  N      -6.731956      1.185736      5.220203
  C      -6.090076      1.577112      6.278875
  C     -10.067018     -0.115650      4.326032
  H      -5.280733      5.529180     -0.527003
  H      -3.526129      5.535259     -0.862771
  H      -4.624403      4.395035     -1.691654
  H      -6.833268      3.676662     -0.656336
  H      -8.464505      1.866864     -0.072379
  H      -3.894119     -1.705264      4.523060
  H      -3.971431      1.880396      1.981655
  H      -8.218268     10.293751     -0.520185
  H      -7.098544      9.817029     -1.792842
  H      -8.793418      9.259651     -1.870386
  H      -5.789489     10.278044      0.106532
  H      -4.013423     10.252174      1.852051
  H      -4.601358      3.706357      3.782469
  H      -7.071305      6.394424      1.437878
  H     -14.086129     -1.574646      2.590036
  H     -13.101229     -0.648730      1.427883
  H     -13.899552      0.207767      2.766875
  H     -12.052810      1.416967      2.037685
  H     -10.282319      3.159075      2.206065
  H      -6.590617      1.604097      7.262701
  H     -10.021800     -0.995079      4.916427
  N      -1.861043      2.003753      3.053851
  H      -1.703719      1.091054      2.611518
  H      -0.940170      2.354255      3.336695
  H      -2.189969      2.650222      2.310203
90
Coordinates from ORCA-job orca E -6670.468568423527
  N      -2.783421      0.019241      5.213764
  Mo     -3.401392      1.912628      4.770416
  N      -4.812546      2.029141      6.259643
  C      -4.304042      2.708744      7.452263
  C      -2.915167      2.179063      7.775436
  N      -2.031284      2.107453      6.547797
  C      -1.141753      0.894404      6.633991
  C      -1.953429     -0.359427      6.331275
  C      -1.175540      3.336853      6.386781
  C      -2.009551      4.497464      5.865150
  N      -2.940330      3.891857      4.933283
  H      -1.283244     -1.196015      6.081483
  H      -2.574162     -0.670499      7.187086
  H      -0.362217      1.013131      5.870356
  H      -0.658628      0.854253      7.622196
  H      -2.554219      5.026796      6.663324
  H      -1.368386      5.240138      5.364460
  H      -0.676800      3.569079      7.340403
  H      -0.401694      3.082504      5.650617
  H      -4.960128      2.527973      8.318609
  H      -4.288398      3.797709      7.284683
  H      -3.012972      1.155910      8.158528
  H      -2.409771      2.786626      8.541102
  C      -4.479148      4.879797     -0.700759
  C      -4.233873      3.872830      0.386037
  O      -3.137614      3.836096      1.001140
  C      -5.300138      2.887606      0.690077
  C      -6.576389      2.887261      0.101022
  C      -7.472413      1.885068      0.410949
  C      -7.109037      0.881569      1.306724
  F      -7.988628     -0.079808      1.560084
  C      -5.864263      0.874626      1.952673
  C      -5.419257     -0.174562      2.908315
  O      -5.889232     -1.341049      2.954044
  N      -4.332885      0.252381      3.713143
  C      -3.680190     -0.632639      4.491111
  C      -4.990227      1.884213      1.601702
  C      -7.972107      9.510150     -1.179646
  C      -7.639029      8.259514     -0.395440
  O      -8.239513      7.185660     -0.592722
  C      -6.549124      8.341608      0.636467
  C      -5.648680      9.432159      0.734398
  C      -4.625170      9.420078      1.679445
  C      -4.493568      8.319150      2.527845
  F      -3.486704      8.366593      3.426044
  C      -5.379010      7.215137      2.473836
  C      -5.320140      5.965314      3.296341
  O      -6.284126      5.192584      3.316565
  N      -4.125938      5.729209      3.993065
  C      -3.899420      4.467638      4.228989
  C      -6.406697      7.268581      1.521914
  C     -13.352751     -0.758044      2.408868
  C     -12.171105     -0.986258      3.307202
  O     -12.053213     -2.066524      3.941004
  C     -11.128687      0.084598      3.421828
  C     -11.178475      1.247800      2.689667
  C     -10.186355      2.205645      2.816190
  C      -9.141345      1.994976      3.678944
  F      -8.213606      2.961801      3.772801
  C      -9.043798      0.836208      4.446916
  C      -7.956285      0.546251      5.437492
  O      -8.127018     -0.302080      6.340122
  N      -6.743310      1.205591      5.234913
  C      -6.094217      1.595971      6.289120
  C     -10.068366     -0.103705      4.299687
  H      -5.346899      5.515071     -0.461290
  H      -3.586223      5.499761     -0.827488
  H      -4.719202      4.373334     -1.652508
  H      -6.876201      3.666052     -0.600282
  H      -8.464443      1.860199     -0.034475
  H      -3.906945     -1.707801      4.543817
  H      -3.988685      1.862442      2.014852
  H      -8.191985     10.359810     -0.499758
  H      -7.110214      9.814355     -1.810122
  H      -8.838602      9.308315     -1.824454
  H      -5.738477     10.292204      0.066665
  H      -3.916353     10.253208      1.774477
  H      -4.608552      3.702347      3.770718
  H      -7.119706      6.431569      1.479906
  H     -14.047105     -1.601651      2.484218
  H     -13.028246     -0.656022      1.379386
  H     -13.865852      0.156419      2.671749
  H     -12.000664      1.423078      2.007996
  H     -10.212243      3.133306      2.255583
  H      -6.590259      1.628439      7.274879
  H     -10.021761     -1.033788      4.902015
  N      -1.874115      1.983356      3.044288
  H      -1.722274      1.067827      2.607553
  H      -0.949965      2.332087      3.322540
  H      -2.201746      2.625146      2.296846
90
Coordinates from ORCA-job orca E -6670.468509253437
  N      -2.765672      0.025082      5.215035
  Mo     -3.400325      1.913432      4.767060
  N      -4.817492      2.019881      6.253501
  C      -4.315516      2.707764      7.445780
  C      -2.921653      2.191313      7.771820
  N      -2.035128      2.125795      6.546614
  C      -1.134549      0.920572      6.637522
  C      -1.936616     -0.342983      6.335655
  C      -1.189868      3.363108      6.385186
  C      -2.034227      4.516166      5.859725
  N      -2.957838      3.899555      4.926046
  H      -1.256719     -1.173911      6.089553
  H      -2.556988     -0.659195      7.190303
  H      -0.354502      1.045831      5.875116
  H      -0.653602      0.886222      7.627915
  H      -2.585375      5.041492      6.656390
  H      -1.399234      5.264578      5.359010
  H      -0.695396      3.601559      7.339997
  H      -0.411704      3.115605      5.650758
  H      -4.971654      2.522443      8.311183
  H      -4.309071      3.796465      7.274669
  H      -3.011608      1.168404      8.157277
  H      -2.422024      2.805266      8.536671
  C      -4.504328      4.848532     -0.766569
  C      -4.255898      3.842986      0.323533
  O      -3.167710      3.834687      0.942704
  C      -5.309322      2.841684      0.647680
  C      -6.587744      2.815877      0.071978
  C      -7.486207      1.803914      0.408148
  C      -7.119238      0.815681      1.319837
  F      -8.008272     -0.153273      1.599450
  C      -5.862275      0.832615      1.951107
  C      -5.396834     -0.194934      2.919939
  O      -5.845176     -1.351084      2.995646
  N      -4.316153      0.241304      3.717443
  C      -3.656838     -0.632307      4.493426
  C      -4.986915      1.851847      1.572710
  C      -7.903740      9.574401     -1.180930
  C      -7.573393      8.317142     -0.415365
  O      -8.147471      7.245529     -0.649020
  C      -6.518490      8.382286      0.641036
  C      -5.641122      9.468893      0.780350
  C      -4.646036      9.442115      1.746759
  C      -4.519877      8.331162      2.576265
  F      -3.543252      8.364814      3.496568
  C      -5.387051      7.229301      2.481639
  C      -5.335669      5.970476      3.285447
  O      -6.291862      5.189410      3.276134
  N      -4.149245      5.730442      3.989016
  C      -3.918008      4.467825      4.220255
  C      -6.385477      7.298794      1.507260
  C     -13.396168     -0.760999      2.427854
  C     -12.199764     -1.013967      3.314085
  O     -12.094479     -2.044222      3.922497
  C     -11.146513      0.063940      3.425699
  C     -11.188068      1.276087      2.685163
  C     -10.163898      2.223063      2.837386
  C      -9.099825      1.955077      3.729189
  F      -8.140238      2.923325      3.849892
  C      -9.028825      0.788145      4.474281
  C      -7.948765      0.502905      5.450924
  O      -8.115333     -0.309583      6.320605
  N      -6.746571      1.172363      5.238846
  C      -6.093578      1.576324      6.289590
  C     -10.067840     -0.156605      4.321345
  H      -5.371597      5.477932     -0.524997
  H      -3.620776      5.480292     -0.893502
  H      -4.738080      4.339508     -1.712351
  H      -6.894160      3.582261     -0.639599
  H      -8.479133      1.761082     -0.028692
  H      -3.872515     -1.699262      4.547631
  H      -3.979825      1.849310      1.976492
  H      -8.152658     10.402972     -0.503601
  H      -7.035876      9.892582     -1.773297
  H      -8.743349      9.383520     -1.848658
  H      -5.725259     10.335768      0.128899
  H      -3.956712     10.270875      1.872352
  H      -4.619570      3.698233      3.760033
  H      -7.079164      6.467338      1.432833
  H     -14.087102     -1.627064      2.522905
  H     -13.072636     -0.646849      1.358804
  H     -13.923745      0.184523      2.721083
  H     -12.025353      1.500884      1.978884
  H     -10.174561      3.178694      2.282915
  H      -6.584961      1.606181      7.278494
  H     -10.028423     -1.112044      4.925370
  N      -1.874133      1.993838      3.039788
  H      -1.713044      1.080953      2.604142
  H      -0.955344      2.350439      3.316842
  H      -2.208637      2.630704      2.292513
90
Coordinates from ORCA-job orca E -6670.468763087625
  N      -2.765186      0.026204      5.218059
  Mo     -3.391275      1.917281      4.774703
  N      -4.815575      2.023056      6.249463
  C      -4.322421      2.703386      7.448235
  C      -2.933910      2.181043      7.782130
  N      -2.039313      2.117656      6.562321
  C      -1.143661      0.910233      6.654339
  C      -1.944963     -0.348536      6.342259
  C      -1.189796      3.351670      6.411428
  C      -2.024833      4.507915      5.884251
  N      -2.942597      3.898721      4.942581
  H      -1.266717     -1.180281      6.097761
  H      -2.571550     -0.665508      7.191967
  H      -0.358107      1.037430      5.898086
  H      -0.670521      0.870413      7.647043
  H      -2.579666      5.032208      6.678510
  H      -1.384193      5.255307      5.390442
  H      -0.702129      3.584224      7.369862
  H      -0.407850      3.104198      5.681815
  H      -4.986275      2.516399      8.307434
  H      -4.311572      3.792119      7.282405
  H      -3.029488      1.156894      8.162034
  H      -2.438205      2.788914      8.552926
  C      -4.523485      4.858852     -0.809489
  C      -4.272964      3.858741      0.285199
  O      -3.205258      3.851580      0.902831
  C      -5.325485      2.855009      0.616206
  C      -6.613422      2.817726      0.042650
  C      -7.506919      1.800976      0.388763
  C      -7.123775      0.816662      1.302982
  F      -8.002073     -0.152244      1.587599
  C      -5.860124      0.844584      1.935689
  C      -5.378668     -0.171457      2.907197
  O      -5.771486     -1.269142      2.988659
  N      -4.306275      0.254205      3.711765
  C      -3.653814     -0.627667      4.490785
  C      -4.994428      1.870038      1.549121
  C      -7.887356      9.575930     -1.172683
  C      -7.555894      8.317637     -0.416878
  O      -8.118430      7.271475     -0.668834
  C      -6.506299      8.373644      0.647054
  C      -5.632820      9.459561      0.797540
  C      -4.635408      9.432255      1.767765
  C      -4.509259      8.318174      2.591234
  F      -3.529994      8.349282      3.516684
  C      -5.372727      7.216697      2.488748
  C      -5.312348      5.958193      3.293362
  O      -6.256370      5.166718      3.283059
  N      -4.126261      5.735031      4.003433
  C      -3.895399      4.474047      4.230601
  C      -6.372705      7.285050      1.507601
  C     -13.391002     -0.793064      2.481173
  C     -12.182549     -1.018811      3.366665
  O     -12.044143     -2.055959      4.001452
  C     -11.144987      0.054734      3.447931
  C     -11.223423      1.250648      2.678379
  C     -10.228451      2.219252      2.779409
  C      -9.147774      1.989686      3.652514
  F      -8.207126      2.954361      3.734652
  C      -9.032841      0.810346      4.445102
  C      -7.930281      0.529200      5.430236
  O      -8.076311     -0.297241      6.334079
  N      -6.733840      1.187766      5.211836
  C      -6.093547      1.583913      6.270771
  C     -10.058481     -0.124163      4.319164
  H      -5.398027      5.481033     -0.572813
  H      -3.643513      5.497101     -0.936024
  H      -4.751080      4.343858     -1.755566
  H      -6.929899      3.580098     -0.670627
  H      -8.510575      1.753073     -0.043319
  H      -3.875046     -1.697905      4.541988
  H      -3.987508      1.874696      1.951763
  H      -8.140901     10.391762     -0.484737
  H      -7.018351      9.909198     -1.759841
  H      -8.726124      9.380379     -1.850577
  H      -5.716891     10.331287      0.149726
  H      -3.944348     10.264157      1.900642
  H      -4.594834      3.710058      3.762807
  H      -7.066773      6.449823      1.423718
  H     -14.071330     -1.640115      2.585456
  H     -13.089204     -0.699477      1.423823
  H     -13.912077      0.140211      2.750822
  H     -12.059055      1.415560      2.006412
  H     -10.264563      3.140323      2.213928
  H      -6.594603      1.611278      7.254778
  H     -10.013928     -0.994806      4.901530
  N      -1.855560      2.001331      3.055977
  H      -1.694436      1.089909      2.616020
  H      -0.938717      2.353314      3.339518
  H      -2.185499      2.643770      2.310404
90
Coordinates from ORCA-job orca E -6670.468150533585
  N      -2.776547      0.016894      5.209428
  Mo     -3.399366      1.908576      4.769943
  N      -4.814373      2.023057      6.252220
  C      -4.310707      2.699121      7.447563
  C      -2.924208      2.169461      7.774262
  N      -2.035449      2.101724      6.549944
  C      -1.145551      0.891051      6.637190
  C      -1.951758     -0.362079      6.329955
  C      -1.182086      3.331405      6.393751
  C      -2.014651      4.490229      5.871140
  N      -2.940215      3.886532      4.935258
  H      -1.278154     -1.196052      6.081262
  H      -2.575308     -0.676420      7.182292
  H      -0.363417      1.012313      5.877149
  H      -0.667541      0.849037      7.625977
  H      -2.563384      5.017091      6.667425
  H      -1.372834      5.234080      5.374974
  H      -0.688195      3.562605      7.348645
  H      -0.405338      3.079402      5.660544
  H      -4.969512      2.516155      8.311274
  H      -4.295120      3.787552      7.282383
  H      -3.022549      1.145348      8.153631
  H      -2.423452      2.775156      8.543427
  C      -4.427492      4.889757     -0.715518
  C      -4.199552      3.887920      0.372618
  O      -3.156530      3.866114      0.986327
  C      -5.269826      2.894246      0.671355
  C      -6.535696      2.893392      0.071246
  C      -7.451193      1.886154      0.381605
  C      -7.109255      0.879692      1.285375
  F      -8.003173     -0.080242      1.537741
  C      -5.867742      0.870933      1.937659
  C      -5.428632     -0.178498      2.894810
  O      -5.889690     -1.327284      2.942930
  N      -4.335844      0.253332      3.705041
  C      -3.675816     -0.637797      4.486559
  C      -4.982231      1.883435      1.589013
  C      -7.970862      9.494152     -1.192533
  C      -7.615515      8.246424     -0.421068
  O      -8.167603      7.187183     -0.648267
  C      -6.555368      8.329486      0.631665
  C      -5.696531      9.428021      0.756128
  C      -4.691579      9.422690      1.716446
  C      -4.539396      8.319027      2.555597
  F      -3.551074      8.374333      3.469556
  C      -5.386480      7.207048      2.477840
  C      -5.309088      5.955555      3.290696
  O      -6.252009      5.169256      3.292533
  N      -4.118971      5.730662      3.997741
  C      -3.895396      4.468956      4.228022
  C      -6.394890      7.253270      1.508684
  C     -13.360273     -0.736904      2.464018
  C     -12.164210     -0.985311      3.354347
  O     -12.044262     -2.058855      3.991220
  C     -11.125013      0.089091      3.451267
  C     -11.183191      1.259247      2.708644
  C     -10.197348      2.218741      2.815574
  C      -9.152002      2.009313      3.666881
  F      -8.236774      2.984606      3.739919
  C      -9.051418      0.850173      4.441357
  C      -7.955297      0.551836      5.423000
  O      -8.125898     -0.308738      6.344526
  N      -6.740362      1.206338      5.220295
  C      -6.096737      1.590742      6.276613
  C     -10.069233     -0.095571      4.311155
  H      -5.299977      5.522566     -0.489487
  H      -3.535576      5.519388     -0.839363
  H      -4.650766      4.373097     -1.659499
  H      -6.817752      3.675385     -0.635505
  H      -8.439989      1.861790     -0.071222
  H      -3.904296     -1.723719      4.537860
  H      -3.990229      1.858994      2.008311
  H      -8.228976     10.314269     -0.514095
  H      -7.115170      9.829891     -1.789467
  H      -8.813212      9.288139     -1.859660
  H      -5.801519     10.291220      0.095653
  H      -4.012822     10.264115      1.830448
  H      -4.602471      3.707854      3.761026
  H      -7.075608      6.408588      1.444615
  H     -14.050198     -1.566478      2.548243
  H     -13.043478     -0.635614      1.431412
  H     -13.875951      0.183379      2.730333
  H     -12.008906      1.438338      2.036250
  H     -10.230586      3.147262      2.249097
  H      -6.594590      1.620274      7.261269
  H     -10.011522     -1.035499      4.917463
  N      -1.872682      1.979814      3.045168
  H      -1.721346      1.065442      2.605757
  H      -0.950025      2.325942      3.325612
  H      -2.200031      2.624484      2.299402
90
Coordinates from ORCA-job orca E -6670.470116650778
  N      -2.743895      0.022069      5.213417
  Mo     -3.393712      1.907506      4.766610
  N      -4.816554      2.008352      6.247196
  C      -4.322059      2.697644      7.442842
  C      -2.925498      2.188681      7.773462
  N      -2.034433      2.129780      6.551078
  C      -1.124855      0.929451      6.644917
  C      -1.918000     -0.340413      6.338232
  C      -1.196621      3.373668      6.392583
  C      -2.047460      4.521216      5.862164
  N      -2.963393      3.897528      4.923295
  H      -1.231367     -1.168180      6.095575
  H      -2.541385     -0.660611      7.189616
  H      -0.341238      1.059791      5.886268
  H      -0.647936      0.898128      7.637547
  H      -2.606703      5.044532      6.655870
  H      -1.414378      5.273923      5.364295
  H      -0.707501      3.617150      7.349391
  H      -0.413082      3.130524      5.661998
  H      -4.981102      2.507724      8.305253
  H      -4.321230      3.787135      7.273073
  H      -3.011225      1.164107      8.157299
  H      -2.432098      2.804595      8.540959
  C      -4.559792      4.846524     -0.720933
  C      -4.283030      3.835483      0.361708
  O      -3.174293      3.817427      0.976562
  C      -5.330527      2.834837      0.678036
  C      -6.621335      2.810561      0.107876
  C      -7.499548      1.798220      0.433889
  C      -7.108600      0.808879      1.332657
  F      -7.976428     -0.162584      1.603640
  C      -5.847641      0.824040      1.959532
  C      -5.370090     -0.208497      2.920110
  O      -5.832283     -1.377769      2.988172
  N      -4.294147      0.228491      3.718537
  C      -3.629622     -0.639123      4.495463
  C      -4.987623      1.843475      1.589863
  C      -7.904836      9.596097     -1.171879
  C      -7.602451      8.333407     -0.394554
  O      -8.231149      7.263498     -0.595563
  C      -6.512922      8.391385      0.638544
  C      -5.590042      9.468353      0.747329
  C      -4.573570      9.433798      1.697362
  C      -4.469236      8.324477      2.538669
  F      -3.469503      8.350240      3.442182
  C      -5.376338      7.232196      2.471956
  C      -5.342658      5.975709      3.288221
  O      -6.314071      5.207945      3.294631
  N      -4.154677      5.726994      3.986898
  C      -3.922649      4.464361      4.213636
  C      -6.397104      7.309274      1.515569
  C     -13.377293     -0.749545      2.415982
  C     -12.178348     -1.008519      3.311998
  O     -12.058317     -2.050904      3.932209
  C     -11.135290      0.054687      3.422335
  C     -11.197370      1.249336      2.679370
  C     -10.200064      2.208517      2.809264
  C      -9.139306      1.970820      3.681442
  F      -8.209063      2.947859      3.779570
  C      -9.036168      0.792999      4.446703
  C      -7.947926      0.503927      5.428650
  O      -8.112561     -0.329177      6.316524
  N      -6.742129      1.164953      5.220959
  C      -6.093634      1.561661      6.276014
  C     -10.062440     -0.144726      4.300463
  H      -5.434403      5.470363     -0.465378
  H      -3.679876      5.476878     -0.845719
  H      -4.803133      4.348575     -1.677863
  H      -6.943945      3.578101     -0.594336
  H      -8.498517      1.753958     -0.000120
  H      -3.837895     -1.704196      4.552473
  H      -3.974227      1.841623      1.990244
  H      -8.106723     10.453916     -0.487602
  H      -7.031307      9.880285     -1.804704
  H      -8.776459      9.413861     -1.815358
  H      -5.658852     10.334013      0.086456
  H      -3.849308     10.255555      1.800976
  H      -4.617712      3.695213      3.747828
  H      -7.126738      6.484583      1.465329
  H     -14.064755     -1.603707      2.503062
  H     -13.061849     -0.637847      1.351572
  H     -13.899648      0.190564      2.701953
  H     -12.031464      1.448084      1.989283
  H     -10.234446      3.158985      2.245063
  H      -6.590122      1.586729      7.262770
  H     -10.017464     -1.063182      4.891267
  N      -1.863595      1.997818      3.040652
  H      -1.697085      1.085434      2.602913
  H      -0.945670      2.359329      3.320582
  H      -2.199852      2.634259      2.293988
90
Coordinates from ORCA-job orca E -6670.469735741180
  N      -2.754920      0.025934      5.226011
  Mo     -3.397220      1.909060      4.771845
  N      -4.809877      2.024351      6.256134
  C      -4.310287      2.715075      7.446566
  C      -2.917641      2.200942      7.774291
  N      -2.032628      2.132230      6.549233
  C      -1.130139      0.930532      6.647292
  C      -1.927532     -0.334358      6.350657
  C      -1.190710      3.368660      6.380890
  C      -2.033830      4.516010      5.847479
  N      -2.954209      3.895095      4.915871
  H      -1.247576     -1.163871      6.110682
  H      -2.547559     -0.646379      7.206092
  H      -0.350031      1.054539      5.885842
  H      -0.651273      0.902205      7.638717
  H      -2.585643      5.044547      6.639350
  H      -1.399898      5.261495      5.342939
  H      -0.698298      3.612593      7.334499
  H      -0.412771      3.118309      5.648717
  H      -4.966111      2.532339      8.312437
  H      -4.305077      3.802528      7.271461
  H      -3.006041      1.179562      8.162867
  H      -2.418515      2.816481      8.536767
  C      -4.547586      4.824165     -0.797788
  C      -4.292100      3.830629      0.300195
  O      -3.199560      3.844232      0.914292
  C      -5.344295      2.814125      0.642503
  C      -6.624662      2.770485      0.076151
  C      -7.517553      1.749846      0.428616
  C      -7.137926      0.769366      1.344530
  F      -8.015622     -0.205113      1.637321
  C      -5.881480      0.801842      1.968349
  C      -5.403041     -0.214715      2.941377
  O      -5.822367     -1.356253      3.025383
  N      -4.315950      0.229301      3.736780
  C      -3.652759     -0.640584      4.514736
  C      -5.015448      1.830324      1.575783
  C      -7.885958      9.622054     -1.160432
  C      -7.543812      8.361751     -0.415906
  O      -8.093659      7.307863     -0.678632
  C      -6.502353      8.407903      0.649650
  C      -5.641251      9.485971      0.815880
  C      -4.653120      9.443621      1.786631
  C      -4.522987      8.324520      2.595944
  F      -3.554476      8.341761      3.521962
  C      -5.377317      7.230846      2.477804
  C      -5.321156      5.966470      3.267082
  O      -6.268836      5.181137      3.244324
  N      -4.137506      5.728698      3.974664
  C      -3.909997      4.465667      4.205052
  C      -6.365955      7.315101      1.496388
  C     -13.377876     -0.775359      2.408170
  C     -12.195171     -0.997525      3.299866
  O     -12.086552     -2.040786      3.919305
  C     -11.140813      0.075646      3.414480
  C     -11.182969      1.280118      2.667188
  C     -10.165577      2.238948      2.812430
  C      -9.100807      1.984261      3.707000
  F      -8.133542      2.921960      3.843581
  C      -9.020763      0.805669      4.466725
  C      -7.934458      0.514781      5.448880
  O      -8.089230     -0.294884      6.312667
  N      -6.735535      1.180680      5.235412
  C      -6.085252      1.583028      6.288826
  C     -10.061276     -0.130305      4.310841
  H      -5.420519      5.440349     -0.560473
  H      -3.670910      5.471260     -0.932774
  H      -4.773159      4.303123     -1.736895
  H      -6.939109      3.530587     -0.639100
  H      -8.515373      1.696760      0.000634
  H      -3.870625     -1.711539      4.579713
  H      -4.010775      1.838615      1.974262
  H      -8.149199     10.423968     -0.476850
  H      -7.024797      9.961545     -1.732206
  H      -8.714747      9.435745     -1.840300
  H      -5.727704     10.360497      0.179616
  H      -3.972350     10.266774      1.930852
  H      -4.611892      3.698779      3.742670
  H      -7.049570      6.488481      1.401130
  H     -14.075522     -1.623852      2.487608
  H     -13.055292     -0.674338      1.375390
  H     -13.887233      0.139595      2.675330
  H     -12.003137      1.461549      1.981142
  H     -10.171206      3.165889      2.267811
  H      -6.577760      1.612204      7.276268
  H     -10.032272     -1.036638      4.893707
  N      -1.881212      1.985050      3.037049
  H      -1.723292      1.071526      2.602848
  H      -0.961892      2.341659      3.308413
  H      -2.220955      2.620376      2.291381
90
Coordinates from ORCA-job orca E -6670.464595579964
  N      -2.756758      0.026536      5.214714
  Mo     -3.391345      1.914102      4.773491
  N      -4.811258      2.023608      6.250474
  C      -4.314163      2.703135      7.447085
  C      -2.926606      2.180720      7.777384
  N      -2.033678      2.116790      6.555103
  C      -1.137685      0.911968      6.647095
  C      -1.935012     -0.346294      6.339702
  C      -1.185781      3.350637      6.399965
  C      -2.020563      4.503443      5.872520
  N      -2.939191      3.894173      4.933813
  H      -1.255016     -1.177043      6.095862
  H      -2.560645     -0.663104      7.190995
  H      -0.353224      1.039098      5.889639
  H      -0.663623      0.872924      7.638498
  H      -2.574900      5.028894      6.665895
  H      -1.380386      5.250180      5.377188
  H      -0.697079      3.585452      7.356686
  H      -0.404408      3.101842      5.669736
  H      -4.975320      2.516087      8.308602
  H      -4.304240      3.791451      7.281205
  H      -3.021378      1.156253      8.156777
  H      -2.430383      2.788978      8.548129
  C      -4.513178      4.864679     -0.749599
  C      -4.273184      3.861345      0.337493
  O      -3.255709      3.845912      0.950472
  C      -5.320510      2.858034      0.647954
  C      -6.599200      2.827632      0.059926
  C      -7.497983      1.806004      0.391880
  C      -7.124761      0.813326      1.304257
  F      -8.006737     -0.157216      1.577556
  C      -5.865867      0.836063      1.946652
  C      -5.391859     -0.185834      2.911866
  O      -5.778784     -1.280300      2.988722
  N      -4.316334      0.251742      3.713862
  C      -3.654827     -0.632234      4.495647
  C      -5.000791      1.862982      1.574945
  C      -7.915753      9.559265     -1.182337
  C      -7.583207      8.301795     -0.419661
  O      -8.151597      7.260984     -0.660132
  C      -6.525077      8.362956      0.637983
  C      -5.650331      9.453118      0.774257
  C      -4.644621      9.434311      1.738534
  C      -4.511414      8.322790      2.569814
  F      -3.521439      8.363642      3.488544
  C      -5.374389      7.217712      2.481996
  C      -5.306110      5.961869      3.292633
  O      -6.247430      5.170150      3.288195
  N      -4.115418      5.741132      4.001188
  C      -3.891701      4.478230      4.221627
  C      -6.383318      7.277002      1.507044
  C     -13.381790     -0.751214      2.436140
  C     -12.184077     -0.998486      3.332038
  O     -12.070610     -2.050824      3.958398
  C     -11.136635      0.074425      3.436556
  C     -11.190947      1.250900      2.695830
  C     -10.192413      2.209739      2.813131
  C      -9.132549      1.984601      3.679307
  F      -8.197994      2.953925      3.767154
  C      -9.038929      0.819571      4.451866
  C      -7.939535      0.525150      5.436164
  O      -8.100415     -0.329294      6.357118
  N      -6.732247      1.193727      5.219993
  C      -6.092787      1.587200      6.275342
  C     -10.067156     -0.121076      4.311695
  H      -5.391514      5.482634     -0.523960
  H      -3.634320      5.506269     -0.869514
  H      -4.727524      4.349299     -1.693320
  H      -6.906337      3.598073     -0.651076
  H      -8.499569      1.761502     -0.049761
  H      -3.878883     -1.714906      4.551155
  H      -4.000365      1.863160      1.985080
  H      -8.162474     10.379352     -0.492307
  H      -7.050327      9.890926     -1.780267
  H      -8.762113      9.360993     -1.854252
  H      -5.739945     10.323963      0.119514
  H      -3.951913     10.270723      1.860813
  H      -4.594674      3.720194      3.750097
  H      -7.077840      6.436728      1.432815
  H     -14.069835     -1.605984      2.525245
  H     -13.066348     -0.643260      1.373589
  H     -13.903823      0.191988      2.719718
  H     -12.021337      1.433557      2.017491
  H     -10.221661      3.140872      2.251677
  H      -6.590231      1.612369      7.260934
  H     -10.019165     -1.050639      4.910425
  N      -1.866886      1.989602      3.044516
  H      -1.711372      1.076847      2.603492
  H      -0.946204      2.339311      3.323777
  H      -2.199925      2.634248      2.299381
90
Coordinates from ORCA-job orca E -6670.469537105912
  N      -2.744915      0.010774      5.205528
  Mo     -3.398549      1.895574      4.759564
  N      -4.823070      1.999224      6.236274
  C      -4.331991      2.684768      7.434252
  C      -2.937244      2.175432      7.767823
  N      -2.044056      2.118610      6.547929
  C      -1.134002      0.920140      6.644554
  C      -1.922958     -0.349225      6.334098
  C      -1.208305      3.362348      6.391366
  C      -2.058615      4.507809      5.856891
  N      -2.969428      3.884027      4.914511
  H      -1.234680     -1.176076      6.094681
  H      -2.548935     -0.669303      7.182773
  H      -0.347982      1.050532      5.889270
  H      -0.662106      0.889049      7.637698
  H      -2.621578      5.031147      6.647354
  H      -1.424793      5.260065      5.361399
  H      -0.723020      3.607219      7.348618
  H      -0.422861      3.120015      5.663512
  H      -4.993235      2.494376      8.294400
  H      -4.330118      3.773571      7.265867
  H      -3.024100      1.150868      8.150207
  H      -2.446557      2.789539      8.537309
  C      -4.489340      4.861656     -0.690775
  C      -4.234281      3.851382      0.387713
  O      -3.140154      3.829046      0.999186
  C      -5.288549      2.853270      0.689720
  C      -6.567636      2.846262      0.104899
  C      -7.462690      1.836596      0.415969
  C      -7.097755      0.833886      1.312566
  F      -7.981113     -0.131262      1.569120
  C      -5.844957      0.830953      1.950477
  C      -5.388145     -0.215409      2.905362
  O      -5.857126     -1.375796      2.959429
  N      -4.303633      0.216652      3.709745
  C      -3.633261     -0.654915      4.489465
  C      -4.970101      1.847377      1.597764
  C      -7.927251      9.584940     -1.182191
  C      -7.603265      8.323299     -0.416064
  O      -8.200138      7.259425     -0.632741
  C      -6.524853      8.383897      0.625550
  C      -5.625734      9.468665      0.746690
  C      -4.614384      9.437829      1.702506
  C      -4.490944      8.325589      2.539173
  F      -3.495140      8.358179      3.448560
  C      -5.376739      7.225709      2.461104
  C      -5.332365      5.966582      3.269623
  O      -6.296166      5.195648      3.267094
  N      -4.150060      5.718325      3.975450
  C      -3.924520      4.455519      4.200472
  C      -6.391472      7.298820      1.498482
  C     -13.360038     -0.756934      2.480889
  C     -12.157210     -1.008062      3.367648
  O     -12.018426     -2.069513      4.003354
  C     -11.127634      0.060358      3.454965
  C     -11.208715      1.251483      2.700721
  C     -10.229239      2.208751      2.807865
  C      -9.173457      1.989667      3.659759
  F      -8.268265      2.981066      3.727591
  C      -9.053339      0.821254      4.430120
  C      -7.956419      0.530437      5.403030
  O      -8.122022     -0.336398      6.326201
  N      -6.747533      1.174361      5.200885
  C      -6.101939      1.557734      6.258653
  C     -10.063115     -0.119311      4.306678
  H      -5.364473      5.491154     -0.448391
  H      -3.607480      5.492078     -0.807873
  H      -4.720875      4.359154     -1.642774
  H      -6.869150      3.624466     -0.595685
  H      -8.453387      1.805667     -0.028696
  H      -3.843439     -1.727695      4.548454
  H      -3.966484      1.831447      2.008709
  H      -8.151602     10.422472     -0.496402
  H      -7.060672      9.891287     -1.794824
  H      -8.786101      9.403855     -1.836938
  H      -5.709254     10.336599      0.089988
  H      -3.908267     10.265387      1.815245
  H      -4.617035      3.690671      3.728191
  H      -7.102737      6.468866      1.438803
  H     -14.042199     -1.585561      2.569315
  H     -13.047010     -0.651349      1.434756
  H     -13.884986      0.173070      2.755936
  H     -12.048126      1.443739      2.016711
  H     -10.277493      3.154087      2.234326
  H      -6.601864      1.582137      7.243192
  H     -10.009172     -1.019762      4.895176
  N      -1.867685      1.989296      3.036414
  H      -1.701522      1.077917      2.596026
  H      -0.950774      2.348806      3.318671
  H      -2.202836      2.627798      2.290955
90
Coordinates from ORCA-job orca E -6670.471350783961
  N      -2.744317      0.030598      5.228184
  Mo     -3.394068      1.910425      4.779304
  N      -4.804625      2.021529      6.264279
  C      -4.305635      2.712639      7.454677
  C      -2.911943      2.200495      7.779459
  N      -2.027873      2.135128      6.552494
  C      -1.122210      0.936255      6.647838
  C      -1.916534     -0.330054      6.351472
  C      -1.188792      3.373801      6.384178
  C      -2.033962      4.519202      5.853117
  N      -2.954066      3.897193      4.921555
  H      -1.233629     -1.157827      6.109301
  H      -2.535725     -0.645572      7.207708
  H      -0.342890      1.064420      5.885300
  H      -0.642697      0.907745      7.638572
  H      -2.586948      5.045580      6.646603
  H      -1.401879      5.267196      5.348613
  H      -0.696639      3.617706      7.337791
  H      -0.410253      3.125633      5.651059
  H      -4.960685      2.526916      8.321104
  H      -4.303242      3.800457      7.280809
  H      -2.997586      1.177946      8.166312
  H      -2.412923      2.816001      8.542421
  C      -4.611554      4.825277     -0.765610
  C      -4.331523      3.827776      0.328570
  O      -3.236361      3.843195      0.945641
  C      -5.376785      2.805913      0.665948
  C      -6.664551      2.754489      0.100390
  C      -7.541515      1.729925      0.446490
  C      -7.140583      0.753805      1.355100
  F      -8.001061     -0.227832      1.642876
  C      -5.882249      0.794233      1.979356
  C      -5.394964     -0.223060      2.949682
  O      -5.816741     -1.389946      3.026629
  N      -4.311165      0.231750      3.745101
  C      -3.644944     -0.636490      4.522709
  C      -5.032150      1.825650      1.592726
  C      -7.895817      9.627221     -1.156426
  C      -7.571188      8.365873     -0.393353
  O      -8.166929      7.300549     -0.622540
  C      -6.494963      8.417565      0.649479
  C      -5.592167      9.494096      0.779957
  C      -4.579210      9.453180      1.734082
  C      -4.464896      8.338600      2.561761
  F      -3.468716      8.356670      3.469136
  C      -5.357299      7.247483      2.477275
  C      -5.318631      5.987065      3.282728
  O      -6.280948      5.212938      3.272454
  N      -4.132444      5.737399      3.987264
  C      -3.908924      4.471639      4.211734
  C      -6.369485      7.330051      1.512900
  C     -13.364579     -0.762840      2.359396
  C     -12.183116     -1.005759      3.269143
  O     -12.083027     -2.039310      3.886461
  C     -11.130773      0.071255      3.391554
  C     -11.166164      1.261499      2.653513
  C     -10.159040      2.231826      2.797882
  C      -9.105551      1.991904      3.688162
  F      -8.152210      2.945604      3.818042
  C      -9.021082      0.800446      4.457668
  C      -7.934820      0.496865      5.455523
  O      -8.095376     -0.318958      6.322153
  N      -6.728858      1.170398      5.243167
  C      -6.080832      1.575962      6.297132
  C     -10.058888     -0.140628      4.295185
  H      -5.494563      5.433590     -0.513862
  H      -3.735686      5.478565     -0.902625
  H      -4.845243      4.306810     -1.717561
  H      -6.992842      3.512911     -0.609539
  H      -8.547322      1.668288      0.021334
  H      -3.861960     -1.708835      4.589759
  H      -4.023097      1.842656      1.990254
  H      -8.119572     10.460278     -0.469931
  H      -7.031242      9.939125     -1.769740
  H      -8.753940      9.439529     -1.812786
  H      -5.667834     10.364370      0.128879
  H      -3.865667     10.274150      1.850947
  H      -4.612459      3.708059      3.745979
  H      -7.084253      6.504788      1.444993
  H     -14.064280     -1.621159      2.433327
  H     -13.037061     -0.654635      1.308491
  H     -13.874788      0.169521      2.634791
  H     -11.976753      1.429615      1.970814
  H     -10.165672      3.156142      2.253255
  H      -6.573417      1.602435      7.284643
  H     -10.022561     -1.082344      4.896706
  N      -1.887211      1.988005      3.033236
  H      -1.731061      1.074504      2.596913
  H      -0.965438      2.345730      3.300153
  H      -2.231721      2.624298      2.290251
90
Coordinates from ORCA-job orca E -6670.470234058945
  N      -2.722047      0.027087      5.223093
  Mo     -3.382296      1.906249      4.773555
  N      -4.805003      2.016252      6.249276
  C      -4.314033      2.707144      7.444470
  C      -2.920469      2.199389      7.778565
  N      -2.026435      2.137739      6.557150
  C      -1.114223      0.941378      6.657083
  C      -1.898489     -0.329485      6.353037
  C      -1.192263      3.381894      6.395461
  C      -2.041653      4.522544      5.857701
  N      -2.951574      3.894918      4.918648
  H      -1.209162     -1.155081      6.115901
  H      -2.522868     -0.647525      7.203742
  H      -0.328780      1.072018      5.901091
  H      -0.640734      0.913934      7.650797
  H      -2.605178      5.047660      6.646001
  H      -1.408885      5.274087      5.359156
  H      -0.707481      3.630100      7.352285
  H      -0.406220      3.137049      5.668407
  H      -4.974077      2.519702      8.306416
  H      -4.313757      3.795446      7.272579
  H      -3.005872      1.175846      8.163582
  H      -2.429942      2.816694      8.546576
  C      -4.611814      4.810939     -0.781712
  C      -4.338134      3.821207      0.316132
  O      -3.270209      3.834285      0.929360
  C      -5.364760      2.797719      0.648742
  C      -6.644986      2.740841      0.078721
  C      -7.518234      1.709807      0.427363
  C      -7.120201      0.733114      1.342106
  F      -7.980741     -0.249247      1.633972
  C      -5.861067      0.779752      1.967549
  C      -5.364048     -0.230704      2.937980
  O      -5.760325     -1.366248      3.021515
  N      -4.289934      0.222658      3.732333
  C      -3.616740     -0.644720      4.514138
  C      -5.017287      1.817245      1.578589
  C      -7.869836      9.633560     -1.167096
  C      -7.544619      8.366779     -0.419618
  O      -8.101283      7.323534     -0.684479
  C      -6.508174      8.404958      0.649525
  C      -5.646662      9.480844      0.818346
  C      -4.662896      9.435469      1.791399
  C      -4.535970      8.313234      2.598069
  F      -3.567994      8.326693      3.524386
  C      -5.386322      7.221676      2.477027
  C      -5.320133      5.955476      3.261932
  O      -6.262242      5.166031      3.239488
  N      -4.136344      5.728414      3.976264
  C      -3.905520      4.466584      4.200210
  C      -6.376129      7.308321      1.496015
  C     -13.390610     -0.694398      2.394475
  C     -12.191378     -0.957638      3.294156
  O     -12.076571     -2.009689      3.916745
  C     -11.131624      0.081647      3.415805
  C     -11.180185      1.265364      2.676980
  C     -10.163062      2.204293      2.819899
  C      -9.091246      1.943451      3.709242
  F      -8.139086      2.887053      3.829445
  C      -9.012799      0.798712      4.455918
  C      -7.926311      0.524095      5.417415
  O      -8.090574     -0.299026      6.302064
  N      -6.723536      1.181815      5.214127
  C      -6.083417      1.576841      6.272987
  C     -10.051822     -0.126145      4.302801
  H      -5.493319      5.404261     -0.555107
  H      -3.755086      5.469697     -0.914551
  H      -4.821707      4.293733     -1.717935
  H      -6.973952      3.499091     -0.634021
  H      -8.517950      1.645858     -0.001518
  H      -3.829652     -1.721841      4.581572
  H      -4.013497      1.836833      1.978354
  H      -8.128112     10.442443     -0.480424
  H      -7.001396      9.966834     -1.740762
  H      -8.699391      9.451100     -1.850347
  H      -5.729625     10.359487      0.182018
  H      -3.981384     10.258830      1.938478
  H      -4.598503      3.701107      3.727765
  H      -7.061787      6.480644      1.398644
  H     -14.083503     -1.538309      2.478793
  H     -13.081149     -0.588498      1.339836
  H     -13.905562      0.242516      2.675049
  H     -12.021859      1.484388      1.976810
  H     -10.189983      3.160200      2.256450
  H      -6.583248      1.604652      7.257048
  H     -10.021696     -1.018672      4.877696
  N      -1.859966      1.988580      3.043780
  H      -1.696999      1.075658      2.606452
  H      -0.942018      2.347790      3.321135
  H      -2.199236      2.627066      2.297764
90
Coordinates from ORCA-job orca E -6670.470080693052
  N      -2.748967      0.018769      5.201820
  Mo     -3.406172      1.900781      4.757209
  N      -4.835019      2.006300      6.229631
  C      -4.346414      2.691953      7.427688
  C      -2.953513      2.182658      7.764190
  N      -2.056390      2.125206      6.546393
  C      -1.146922      0.929316      6.646109
  C      -1.931061     -0.339825      6.334491
  C      -1.221026      3.368274      6.391154
  C      -2.068124      4.510790      5.852644
  N      -2.974377      3.886620      4.908061
  H      -1.240633     -1.164847      6.097985
  H      -2.559736     -0.660122      7.181108
  H      -0.358498      1.060876      5.893741
  H      -0.679165      0.898301      7.640541
  H      -2.634391      5.034673      6.639651
  H      -1.432678      5.262532      5.359025
  H      -0.739761      3.614429      7.349504
  H      -0.432568      3.125198      5.666526
  H      -5.009379      2.501162      8.286515
  H      -4.345248      3.780264      7.259342
  H      -3.041607      1.158184      8.145487
  H      -2.465209      2.796475      8.535584
  C      -4.527731      4.858062     -0.723142
  C      -4.270506      3.851524      0.356114
  O      -3.213712      3.838790      0.965253
  C      -5.314854      2.844602      0.664045
  C      -6.594899      2.819987      0.081484
  C      -7.489381      1.799197      0.406612
  C      -7.119554      0.801734      1.312341
  F      -8.005275     -0.168890      1.583742
  C      -5.859665      0.816375      1.947395
  C      -5.389431     -0.215994      2.906022
  O      -5.812495     -1.335414      2.974543
  N      -4.312089      0.221044      3.707647
  C      -3.640740     -0.649193      4.490336
  C      -4.988600      1.843943      1.580575
  C      -7.840331      9.663764     -1.180219
  C      -7.540106      8.391482     -0.426801
  O      -8.138491      7.353622     -0.665849
  C      -6.478109      8.426718      0.626365
  C      -5.577103      9.500289      0.767034
  C      -4.575881      9.453481      1.729244
  C      -4.468754      8.332744      2.553204
  F      -3.480894      8.348780      3.469183
  C      -5.357175      7.242870      2.458455
  C      -5.318416      5.977756      3.258326
  O      -6.278099      5.205099      3.245286
  N      -4.140408      5.730870      3.971768
  C      -3.923569      4.465581      4.188514
  C      -6.362300      7.331418      1.487775
  C     -13.351838     -0.866361      2.524407
  C     -12.159348     -1.081717      3.398871
  O     -12.028831     -2.141013      4.031348
  C     -11.132746      0.016716      3.477892
  C     -11.212184      1.227353      2.714889
  C     -10.234038      2.208075      2.812484
  C      -9.182639      2.001782      3.658768
  F      -8.275553      3.008406      3.723060
  C      -9.065803      0.813642      4.439673
  C      -7.964627      0.524157      5.408445
  O      -8.122991     -0.335713      6.326272
  N      -6.760003      1.179280      5.197347
  C      -6.114963      1.566970      6.252674
  C     -10.073696     -0.148053      4.323471
  H      -5.411088      5.478344     -0.484843
  H      -3.650892      5.499611     -0.840003
  H      -4.748851      4.348804     -1.671840
  H      -6.902736      3.593564     -0.623798
  H      -8.482530      1.758409     -0.033815
  H      -3.853325     -1.723296      4.553193
  H      -3.984152      1.839693      1.988381
  H      -8.065444     10.493412     -0.486167
  H      -6.964084      9.969871     -1.778945
  H      -8.692184      9.494401     -1.847051
  H      -5.647066     10.376484      0.119308
  H      -3.866073     10.274463      1.856284
  H      -4.615663      3.707518      3.709567
  H      -7.075739      6.507299      1.410743
  H     -14.034068     -1.710355      2.614290
  H     -13.025979     -0.760875      1.494557
  H     -13.883898      0.045645      2.792133
  H     -12.046607      1.409115      2.037801
  H     -10.278325      3.150364      2.243523
  H      -6.612937      1.590336      7.238224
  H     -10.017892     -1.055813      4.912340
  N      -1.877188      1.989441      3.032216
  H      -1.712630      1.078410      2.590754
  H      -0.960503      2.346772      3.314534
  H      -2.212301      2.629741      2.287230
90
Coordinates from ORCA-job orca E -6670.470240252837
  N      -2.718536      0.017465      5.218769
  Mo     -3.388684      1.893938      4.770313
  N      -4.801898      1.997830      6.253206
  C      -4.307633      2.690989      7.445204
  C      -2.908860      2.190082      7.772009
  N      -2.023289      2.133067      6.546942
  C      -1.105807      0.941283      6.645063
  C      -1.889967     -0.334126      6.345999
  C      -1.194753      3.380686      6.378472
  C      -2.051235      4.518820      5.841915
  N      -2.963981      3.886464      4.907422
  H      -1.199246     -1.157772      6.107658
  H      -2.510338     -0.653567      7.200187
  H      -0.324699      1.074994      5.885176
  H      -0.627720      0.917571      7.637165
  H      -2.611768      5.042877      6.632003
  H      -1.423961      5.271958      5.338538
  H      -0.706010      3.632050      7.332664
  H      -0.412401      3.138304      5.647940
  H      -4.962360      2.499927      8.310548
  H      -4.313342      3.779461      7.272057
  H      -2.987344      1.165878      8.158160
  H      -2.415688      2.808925      8.536046
  C      -4.544026      4.825546     -0.682268
  C      -4.277941      3.817888      0.398154
  O      -3.188950      3.814340      1.013390
  C      -5.330281      2.805781      0.710861
  C      -6.610945      2.777922      0.131221
  C      -7.493630      1.759547      0.452350
  C      -7.110758      0.767749      1.351852
  F      -7.977965     -0.207506      1.617680
  C      -5.858650      0.785383      1.986185
  C      -5.384157     -0.248911      2.944942
  O      -5.822240     -1.415842      3.006026
  N      -4.294100      0.204135      3.741516
  C      -3.615821     -0.655647      4.518914
  C      -4.999029      1.810039      1.624283
  C      -7.949377      9.605720     -1.164465
  C      -7.614391      8.345975     -0.402239
  O      -8.212027      7.278594     -0.622576
  C      -6.526649      8.404943      0.635760
  C      -5.624360      9.488087      0.759219
  C      -4.601462      9.452128      1.710131
  C      -4.473648      8.337605      2.541596
  F      -3.466778      8.364203      3.445686
  C      -5.366331      7.239640      2.462710
  C      -5.324484      5.977294      3.265414
  O      -6.289692      5.205890      3.256188
  N      -4.142333      5.722544      3.971869
  C      -3.919087      4.457163      4.193669
  C      -6.387718      7.318300      1.502663
  C     -13.380971     -0.700705      2.374690
  C     -12.186786     -0.957890      3.283975
  O     -12.066449     -2.005863      3.916597
  C     -11.145893      0.107809      3.391976
  C     -11.206463      1.282818      2.647583
  C     -10.213836      2.227601      2.780323
  C      -9.152822      1.996240      3.657051
  F      -8.221878      2.951787      3.761524
  C      -9.041418      0.815775      4.437038
  C      -7.938418      0.498566      5.440428
  O      -8.092980     -0.357210      6.346400
  N      -6.728455      1.156763      5.228605
  C      -6.079293      1.551678      6.282280
  C     -10.068677     -0.105160      4.283552
  H      -5.429532      5.445833     -0.432634
  H      -3.663865      5.470323     -0.804422
  H      -4.774445      4.314758     -1.638142
  H      -6.924227      3.548654     -0.571781
  H      -8.488028      1.714022      0.014569
  H      -3.823221     -1.725195      4.589763
  H      -3.993806      1.810041      2.031300
  H      -8.169709     10.434094     -0.475835
  H      -7.091685      9.920575     -1.781383
  H      -8.813098      9.420659     -1.816132
  H      -5.711246     10.357089      0.106961
  H      -3.891205     10.276934      1.822727
  H      -4.614565      3.692966      3.722752
  H      -7.100105      6.490224      1.439974
  H     -14.066768     -1.549709      2.457834
  H     -13.063998     -0.592230      1.308187
  H     -13.901788      0.243205      2.655141
  H     -12.029155      1.452311      1.968360
  H     -10.240569      3.128212      2.234521
  H      -6.573784      1.576873      7.269023
  H     -10.013283     -1.044535      4.893299
  N      -1.880834      1.983546      3.024727
  H      -1.718839      1.071248      2.586247
  H      -0.960694      2.346909      3.293313
  H      -2.227706      2.618456      2.283292
90
Coordinates from ORCA-job orca E -6670.469045858060
  N      -2.720627      0.033953      5.226422
  Mo     -3.386304      1.908880      4.778688
  N      -4.806799      2.018124      6.253555
  C      -4.317143      2.709219      7.448299
  C      -2.924412      2.202790      7.780772
  N      -2.031741      2.142471      6.559275
  C      -1.118617      0.949338      6.659023
  C      -1.899528     -0.320936      6.355455
  C      -1.200458      3.385598      6.396911
  C      -2.048837      4.523763      5.859119
  N      -2.957084      3.896626      4.919765
  H      -1.209377     -1.144197      6.118291
  H      -2.523494     -0.640034      7.205825
  H      -0.333919      1.082175      5.903175
  H      -0.646662      0.922605      7.652325
  H      -2.612826      5.047435      6.647222
  H      -1.417193      5.275277      5.360716
  H      -0.717382      3.633976      7.353393
  H      -0.414276      3.141548      5.670358
  H      -4.976476      2.520219      8.310587
  H      -4.318656      3.796643      7.276631
  H      -3.008519      1.179657      8.164888
  H      -2.434262      2.819367      8.548242
  C      -4.683111      4.813712     -0.787960
  C      -4.387876      3.823832      0.309530
  O      -3.291770      3.860087      0.926202
  C      -5.410017      2.782017      0.650046
  C      -6.697767      2.707012      0.088110
  C      -7.558793      1.668652      0.441010
  C      -7.140788      0.702780      1.353007
  F      -7.988139     -0.289232      1.650258
  C      -5.879730      0.764442      1.971830
  C      -5.372671     -0.243811      2.943988
  O      -5.775122     -1.412318      3.029908
  N      -4.294166      0.224598      3.741350
  C      -3.619036     -0.640803      4.522701
  C      -5.047428      1.808386      1.578737
  C      -7.842718      9.676646     -1.161809
  C      -7.529110      8.408001     -0.405398
  O      -8.121960      7.348181     -0.652399
  C      -6.470191      8.445981      0.651308
  C      -5.574987      9.518774      0.802666
  C      -4.575936      9.467744      1.767813
  C      -4.466596      8.345496      2.583968
  F      -3.483131      8.353400      3.501325
  C      -5.350942      7.257234      2.478367
  C      -5.310932      5.988901      3.268854
  O      -6.270438      5.212224      3.246073
  N      -4.129719      5.739636      3.983014
  C      -3.906771      4.472735      4.201664
  C      -6.352088      7.350795      1.505008
  C     -13.375172     -0.757118      2.380973
  C     -12.186360     -1.005307      3.284410
  O     -12.083780     -2.033222      3.902724
  C     -11.125787      0.049453      3.404523
  C     -11.156814      1.231374      2.668260
  C     -10.142645      2.201535      2.806367
  C      -9.082210      1.951586      3.701921
  F      -8.128734      2.911982      3.825432
  C      -9.011705      0.786939      4.457357
  C      -7.930375      0.506732      5.428744
  O      -8.096447     -0.289787      6.289002
  N      -6.725159      1.175505      5.219087
  C      -6.083423      1.576991      6.278582
  C     -10.053086     -0.155143      4.303262
  H      -5.573296      5.397909     -0.548156
  H      -3.828262      5.487439     -0.926614
  H      -4.897059      4.290578     -1.730875
  H      -7.040518      3.458537     -0.623193
  H      -8.567523      1.589665      0.018521
  H      -3.832833     -1.720826      4.593642
  H      -4.038612      1.841808      1.974441
  H      -8.076894     10.502027     -0.474502
  H      -6.972519      9.992229     -1.758114
  H      -8.689519      9.496731     -1.830951
  H      -5.645670     10.395680      0.159884
  H      -3.869370     10.286826      1.901128
  H      -4.602267      3.710865      3.724453
  H      -7.061584      6.527171      1.420705
  H     -14.076447     -1.598979      2.463510
  H     -13.051949     -0.655635      1.334438
  H     -13.887212      0.174393      2.651341
  H     -11.977622      1.423835      1.979183
  H     -10.160299      3.172267      2.237046
  H      -6.581112      1.602586      7.263715
  H     -10.032122     -1.069052      4.890698
  N      -1.870635      1.990363      3.041389
  H      -1.709760      1.078755      2.603656
  H      -0.952797      2.348997      3.315293
  H      -2.212739      2.627794      2.298480
90
Coordinates from ORCA-job orca E -6670.469817077216
  N      -2.719084      0.022550      5.218482
  Mo     -3.401022      1.898160      4.763651
  N      -4.826398      1.998185      6.241270
  C      -4.338442      2.697203      7.434294
  C      -2.936540      2.205838      7.768430
  N      -2.042846      2.151497      6.547240
  C      -1.119595      0.964304      6.653865
  C      -1.892460     -0.318407      6.354006
  C      -1.220640      3.405130      6.379811
  C      -2.083472      4.534598      5.833198
  N      -2.985972      3.892310      4.894649
  H      -1.192192     -1.138105      6.123534
  H      -2.516059     -0.640107      7.204696
  H      -0.334590      1.099155      5.897999
  H      -0.646625      0.944999      7.648394
  H      -2.653626      5.059607      6.616573
  H      -1.457201      5.290912      5.332032
  H      -0.737871      3.665201      7.335197
  H      -0.431428      3.165671      5.654261
  H      -4.995564      2.503720      8.297031
  H      -4.350727      3.785957      7.258674
  H      -3.012048      1.181693      8.156839
  H      -2.451418      2.830543      8.535066
  C      -4.665498      4.784112     -0.785540
  C      -4.372894      3.798220      0.308575
  O      -3.315194      3.807759      0.903957
  C      -5.386256      2.780045      0.653107
  C      -6.670646      2.720433      0.094797
  C      -7.535665      1.688808      0.455968
  C      -7.132795      0.715222      1.374316
  F      -7.992154     -0.264349      1.681162
  C      -5.864895      0.763994      1.985586
  C      -5.365962     -0.244411      2.954724
  O      -5.771147     -1.353983      3.044300
  N      -4.295357      0.198119      3.738262
  C      -3.610968     -0.656550      4.519623
  C      -5.023175      1.803113      1.582156
  C      -7.773354      9.753487     -1.150713
  C      -7.489044      8.468903     -0.423583
  O      -8.077265      7.457343     -0.694243
  C      -6.448640      8.468375      0.640688
  C      -5.553158      9.520629      0.812479
  C      -4.572179      9.444399      1.780925
  C      -4.482665      8.313304      2.580262
  F      -3.516744      8.298691      3.504743
  C      -5.364779      7.244183      2.457333
  C      -5.334111      5.973474      3.244792
  O      -6.287453      5.199792      3.212439
  N      -4.159300      5.728284      3.959209
  C      -3.939796      4.463892      4.172441
  C      -6.350632      7.360139      1.478844
  C     -13.343806     -0.821776      2.432675
  C     -12.152678     -1.062604      3.331508
  O     -12.031031     -2.122262      3.951645
  C     -11.123757      0.030875      3.439294
  C     -11.200043      1.251145      2.687561
  C     -10.201239      2.208189      2.827703
  C      -9.147720      1.989083      3.689840
  F      -8.217578      2.958651      3.804320
  C      -9.042615      0.810786      4.443644
  C      -7.945856      0.510540      5.421451
  O      -8.091769     -0.339095      6.302546
  N      -6.750492      1.159480      5.215883
  C      -6.104293      1.550294      6.269863
  C     -10.057528     -0.143381      4.299628
  H      -5.550113      5.385678     -0.538572
  H      -3.800891      5.436659     -0.925442
  H      -4.895601      4.264699     -1.728079
  H      -7.004746      3.474774     -0.619185
  H      -8.531318      1.622339      0.033394
  H      -3.811718     -1.727294      4.592450
  H      -4.016491      1.824818      1.970742
  H      -8.004730     10.566884     -0.447531
  H      -6.888973     10.063597     -1.724410
  H      -8.612692      9.605132     -1.831826
  H      -5.609673     10.407516      0.182757
  H      -3.863909     10.250958      1.932195
  H      -4.626065      3.703518      3.696236
  H      -7.064228      6.549046      1.378392
  H     -14.024112     -1.671904      2.503898
  H     -13.030436     -0.705726      1.391308
  H     -13.866084      0.097590      2.714989
  H     -12.036462      1.446518      1.994666
  H     -10.230920      3.142997      2.276268
  H      -6.601325      1.573910      7.256164
  H      -9.995314     -1.048155      4.874440
  N      -1.878659      1.992752      3.034919
  H      -1.706128      1.080537      2.596819
  H      -0.963376      2.361186      3.313340
  H      -2.224927      2.629086      2.286580
90
Coordinates from ORCA-job orca E -6670.471814369274
  N      -2.732242      0.024310      5.214436
  Mo     -3.399300      1.898025      4.765349
  N      -4.810682      2.012826      6.245020
  C      -4.317808      2.704460      7.437144
  C      -2.925318      2.196340      7.766675
  N      -2.039251      2.134241      6.542524
  C      -1.126836      0.941577      6.644358
  C      -1.911908     -0.328179      6.345459
  C      -1.207919      3.376649      6.373700
  C      -2.057736      4.514940      5.834688
  N      -2.968824      3.886841      4.898293
  H      -1.224623     -1.153379      6.110737
  H      -2.535354     -0.643180      7.197367
  H      -0.344197      1.071856      5.886464
  H      -0.653629      0.918160      7.637720
  H      -2.618631      5.040288      6.623070
  H      -1.427838      5.264767      5.332018
  H      -0.722179      3.626576      7.328660
  H      -0.424892      3.130691      5.645333
  H      -4.975057      2.517625      8.301363
  H      -4.317460      3.791329      7.262551
  H      -3.008852      1.174003      8.153209
  H      -2.430466      2.812596      8.530565
  C      -4.549113      4.835255     -0.668795
  C      -4.296699      3.826838      0.407526
  O      -3.226208      3.830254      1.026249
  C      -5.347493      2.804883      0.708283
  C      -6.628809      2.766760      0.119212
  C      -7.509798      1.736975      0.432408
  C      -7.122971      0.745040      1.332836
  F      -7.985023     -0.240385      1.589713
  C      -5.870783      0.774337      1.976701
  C      -5.392986     -0.254182      2.936161
  O      -5.804175     -1.411792      2.994846
  N      -4.309950      0.211345      3.736749
  C      -3.635468     -0.651123      4.517106
  C      -5.015513      1.808845      1.622214
  C      -7.906340      9.658697     -1.163855
  C      -7.581988      8.391130     -0.408995
  O      -8.185565      7.332979     -0.635336
  C      -6.497339      8.437100      0.630529
  C      -5.591460      9.515355      0.763691
  C      -4.570852      9.469304      1.714632
  C      -4.451911      8.348168      2.537447
  F      -3.446007      8.364693      3.442120
  C      -5.349245      7.255021      2.450699
  C      -5.314888      5.988438      3.248387
  O      -6.280878      5.218779      3.233832
  N      -4.134376      5.731635      3.960660
  C      -3.917735      4.465053      4.179696
  C      -6.366997      7.342885      1.489251
  C     -13.361607     -0.770270      2.418814
  C     -12.182951     -0.996797      3.312014
  O     -12.073780     -2.062460      3.946808
  C     -11.134776      0.072689      3.418369
  C     -11.180525      1.247893      2.676453
  C     -10.189265      2.209461      2.796432
  C      -9.132283      1.964891      3.674512
  F      -8.208322      2.949378      3.763579
  C      -9.038145      0.788088      4.448638
  C      -7.949714      0.492841      5.431621
  O      -8.129004     -0.375327      6.355508
  N      -6.732105      1.169730      5.218863
  C      -6.089741      1.570786      6.271434
  C     -10.068914     -0.136734      4.300630
  H      -5.438717      5.449899     -0.441589
  H      -3.682538      5.486637     -0.773027
  H      -4.752025      4.325428     -1.615568
  H      -6.942990      3.537622     -0.584615
  H      -8.505305      1.683227     -0.011748
  H      -3.848538     -1.726296      4.590317
  H      -4.009245      1.817919      2.035261
  H      -8.123449     10.486461     -0.468287
  H      -7.043738      9.973129     -1.779061
  H      -8.770384      9.480958     -1.817884
  H      -5.671820     10.390060      0.118021
  H      -3.856287     10.290567      1.834539
  H      -4.616221      3.705819      3.703764
  H      -7.081725      6.517422      1.417163
  H     -14.055972     -1.634623      2.502150
  H     -13.014224     -0.659557      1.374867
  H     -13.891875      0.157014      2.689318
  H     -12.001579      1.426206      1.993730
  H     -10.219294      3.150643      2.229934
  H      -6.585423      1.595396      7.257036
  H     -10.031211     -1.053823      4.895305
  N      -1.898026      1.980352      3.011917
  H      -1.742811      1.067806      2.573154
  H      -0.976036      2.338717      3.276645
  H      -2.244706      2.616281      2.272183
90
Coordinates from ORCA-job orca E -6670.472079152504
  N      -2.693298      0.023914      5.211629
  Mo     -3.379360      1.895692      4.776103
  N      -4.813418      1.986052      6.240627
  C      -4.336389      2.672689      7.442695
  C      -2.940349      2.176300      7.780946
  N      -2.037759      2.132425      6.566150
  C      -1.112113      0.947432      6.663581
  C      -1.878183     -0.329542      6.345000
  C      -1.217721      3.384922      6.417462
  C      -2.075000      4.517522      5.879152
  N      -2.969166      3.885598      4.927956
  H      -1.176097     -1.145908      6.107682
  H      -2.507481     -0.660568      7.187876
  H      -0.321427      1.092319      5.914983
  H      -0.647619      0.918619      7.657964
  H      -2.652764      5.032068      6.664891
  H      -1.446036      5.278321      5.391394
  H      -0.744978      3.634239      7.378085
  H      -0.422279      3.152729      5.696680
  H      -5.000900      2.472407      8.298408
  H      -4.346031      3.760932      7.279001
  H      -3.019183      1.149441      8.156823
  H      -2.461928      2.791753      8.556146
  C      -4.638667      4.842801     -0.751973
  C      -4.325229      3.845530      0.335860
  O      -3.230955      3.880058      0.952407
  C      -5.346226      2.803890      0.658796
  C      -6.625629      2.745436      0.085558
  C      -7.503071      1.708937      0.421598
  C      -7.102430      0.727616      1.327131
  F      -7.970322     -0.260093      1.611984
  C      -5.843909      0.771920      1.953345
  C      -5.345355     -0.251028      2.915301
  O      -5.749876     -1.415526      2.985098
  N      -4.269737      0.212857      3.723073
  C      -3.586240     -0.651865      4.506382
  C      -4.998281      1.815314      1.579155
  C      -7.880431      9.634585     -1.186482
  C      -7.559916      8.370527     -0.417587
  O      -8.154404      7.304036     -0.648292
  C      -6.493563      8.422965      0.636600
  C      -5.601933      9.505161      0.775971
  C      -4.594969      9.465724      1.740931
  C      -4.472411      8.346499      2.569768
  F      -3.476752      8.369287      3.484684
  C      -5.354066      7.248333      2.474137
  C      -5.308634      5.981196      3.267910
  O      -6.261602      5.202298      3.236630
  N      -4.136502      5.730211      3.992605
  C      -3.914282      4.462680      4.203195
  C      -6.362734      7.331756      1.501700
  C     -13.407425     -0.684580      2.440245
  C     -12.186462     -0.990568      3.343799
  O     -12.062492     -2.017207      3.974171
  C     -11.135000      0.048809      3.437195
  C     -11.193441      1.239473      2.679034
  C     -10.193790      2.202405      2.790559
  C      -9.134924      1.976531      3.657299
  F      -8.194036      2.930686      3.753576
  C      -9.034820      0.802607      4.431821
  C      -7.936090      0.509491      5.399822
  O      -8.093549     -0.313650      6.292774
  N      -6.730575      1.156300      5.191748
  C      -6.090517      1.543731      6.256360
  C     -10.057705     -0.147929      4.311194
  H      -5.539817      5.419515     -0.496665
  H      -3.783052      5.521709     -0.887781
  H      -4.858314      4.328235     -1.708426
  H      -6.956965      3.508379     -0.619623
  H      -8.510006      1.644974     -0.006699
  H      -3.793285     -1.732784      4.575437
  H      -3.995514      1.835881      1.984146
  H      -8.111663     10.463279     -0.502926
  H      -7.016168      9.949386     -1.789994
  H      -8.730261      9.449616     -1.851731
  H      -5.682034     10.378612      0.124766
  H      -3.892859     10.290842      1.865066
  H      -4.597524      3.703338      3.711946
  H      -7.066704      6.503718      1.425406
  H     -14.099085     -1.476501      2.531446
  H     -13.133632     -0.596271      1.382771
  H     -13.901017      0.266039      2.715018
  H     -12.021232      1.422270      2.002306
  H     -10.214649      3.120778      2.236011
  H      -6.592640      1.564486      7.239832
  H     -10.008527     -1.080109      4.919625
  N      -1.856227      1.996697      3.045935
  H      -1.687654      1.089199      2.601088
  H      -0.942530      2.358063      3.326879
  H      -2.197053      2.637176      2.307720
90
Coordinates from ORCA-job orca E -6670.472652729975
  N      -2.693672      0.030346      5.225905
  Mo     -3.388619      1.899394      4.774513
  N      -4.810107      2.000983      6.252559
  C      -4.322937      2.702892      7.444669
  C      -2.920140      2.214689      7.776652
  N      -2.028653      2.161056      6.553349
  C      -1.099426      0.978172      6.659570
  C      -1.867164     -0.307622      6.361336
  C      -1.211516      3.417328      6.382254
  C      -2.077463      4.542450      5.835248
  N      -2.978616      3.895796      4.897700
  H      -1.164320     -1.124555      6.130351
  H      -2.489407     -0.631013      7.212872
  H      -0.315544      1.116570      5.902919
  H      -0.625487      0.962299      7.654599
  H      -2.649178      5.065772      6.618883
  H      -1.454531      5.300679      5.332314
  H      -0.729262      3.680592      7.337552
  H      -0.422009      3.178792      5.656440
  H      -4.978458      2.508994      8.308910
  H      -4.338386      3.791586      7.268102
  H      -2.991963      1.190438      8.165287
  H      -2.434791      2.840889      8.542063
  C      -4.775085      4.759766     -0.784373
  C      -4.457643      3.777755      0.312965
  O      -3.378366      3.811768      0.914572
  C      -5.451555      2.736360      0.664944
  C      -6.738568      2.647438      0.114861
  C      -7.574501      1.604762      0.480864
  C      -7.142653      0.648496      1.397593
  F      -7.975496     -0.346060      1.712393
  C      -5.877314      0.724027      2.002285
  C      -5.356279     -0.274818      2.973648
  O      -5.761050     -1.425736      3.067701
  N      -4.282281      0.193874      3.756739
  C      -3.591901     -0.654151      4.536983
  C      -5.062144      1.773348      1.593268
  C      -7.763007      9.781556     -1.139866
  C      -7.480355      8.497326     -0.407198
  O      -8.080826      7.470294     -0.675253
  C      -6.432998      8.496241      0.653385
  C      -5.525949      9.546529      0.822876
  C      -4.537934      9.464185      1.788153
  C      -4.451488      8.331721      2.586048
  F      -3.477604      8.309404      3.504702
  C      -5.346016      7.265250      2.464195
  C      -5.321930      5.990693      3.243478
  O      -6.286036      5.222527      3.209808
  N      -4.148803      5.733974      3.961777
  C      -3.930227      4.466833      4.174408
  C      -6.338293      7.388277      1.490379
  C     -13.340843     -0.813738      2.366802
  C     -12.171270     -1.021578      3.270266
  O     -12.066227     -2.063462      3.889357
  C     -11.127062      0.062719      3.392762
  C     -11.179528      1.264288      2.648058
  C     -10.172168      2.214783      2.799176
  C      -9.115585      1.979719      3.684888
  F      -8.171168      2.931471      3.816014
  C      -9.027477      0.810626      4.440744
  C      -7.932007      0.504750      5.428713
  O      -8.077878     -0.312118      6.289869
  N      -6.732868      1.156516      5.224217
  C      -6.087014      1.551555      6.281102
  C     -10.059634     -0.126822      4.279894
  H      -5.669327      5.338810     -0.531109
  H      -3.919714      5.436034     -0.934508
  H      -5.001704      4.232356     -1.731004
  H      -7.095344      3.390655     -0.597993
  H      -8.573794      1.514640      0.066257
  H      -3.792498     -1.725842      4.617740
  H      -4.051951      1.818526      1.976943
  H      -7.989307     10.598825     -0.441514
  H      -6.880839     10.087057     -1.719352
  H      -8.605058      9.631762     -1.817077
  H      -5.578426     10.432997      0.193478
  H      -3.821259     10.266940      1.936209
  H      -4.616940      3.705609      3.695289
  H      -7.059878      6.579552      1.392078
  H     -14.032553     -1.697419      2.440707
  H     -12.988349     -0.695984      1.323418
  H     -13.877034      0.104837      2.639376
  H     -12.011949      1.468084      1.945183
  H     -10.193047      3.152906      2.246167
  H      -6.583423      1.575990      7.267276
  H     -10.021189     -1.031854      4.858130
  N      -1.879623      1.992393      3.031590
  H      -1.711161      1.080187      2.593333
  H      -0.961844      2.361485      3.302656
  H      -2.231956      2.627660      2.287351
90
Coordinates from ORCA-job orca E -6670.470530945126
  N      -2.712063      0.033274      5.216103
  Mo     -3.406674      1.899098      4.759718
  N      -4.817171      2.010251      6.242842
  C      -4.325991      2.714095      7.430929
  C      -2.925186      2.223240      7.760417
  N      -2.041267      2.164764      6.534277
  C      -1.113127      0.982595      6.643289
  C      -1.884755     -0.301440      6.353151
  C      -1.223919      3.418746      6.354686
  C      -2.090218      4.543046      5.806342
  N      -2.994712      3.895716      4.873706
  H      -1.187058     -1.120088      6.125352
  H      -2.504928     -0.618227      7.207257
  H      -0.332499      1.117292      5.884060
  H      -0.636617      0.971333      7.638477
  H      -2.657108      5.068438      6.589537
  H      -1.469426      5.297913      5.297341
  H      -0.738771      3.683457      7.308088
  H      -0.438409      3.177472      5.627289
  H      -4.978516      2.524365      8.297980
  H      -4.338781      3.801733      7.249944
  H      -2.997025      1.200820      8.153049
  H      -2.434323      2.849604      8.520820
  C      -4.646221      4.775805     -0.691846
  C      -4.384388      3.776272      0.384153
  O      -3.324202      3.785379      0.986982
  C      -5.417249      2.747695      0.706153
  C      -6.703709      2.683253      0.134624
  C      -7.556948      1.642885      0.472709
  C      -7.143281      0.666467      1.380619
  F      -7.975410     -0.327136      1.659480
  C      -5.885431      0.722710      2.007479
  C      -5.380507     -0.285362      2.970703
  O      -5.764597     -1.415855      3.048039
  N      -4.303256      0.189772      3.752478
  C      -3.615717     -0.654184      4.532625
  C      -5.054886      1.767641      1.627440
  C      -7.789287      9.799941     -1.141950
  C      -7.503179      8.512272     -0.419678
  O      -8.111524      7.494954     -0.682668
  C      -6.441393      8.507556      0.632006
  C      -5.525401      9.558775      0.799347
  C      -4.526062      9.472830      1.755949
  C      -4.441551      8.336922      2.550281
  F      -3.457793      8.312983      3.463239
  C      -5.347758      7.269848      2.433123
  C      -5.334804      5.993176      3.215239
  O      -6.304879      5.229708      3.184418
  N      -4.161377      5.732544      3.932924
  C      -3.945842      4.466845      4.148365
  C      -6.344643      7.395021      1.463986
  C     -13.361567     -0.783703      2.382229
  C     -12.169411     -1.063221      3.292650
  O     -12.068521     -2.138642      3.916390
  C     -11.121762      0.023490      3.413870
  C     -11.158476      1.205612      2.686226
  C     -10.164237      2.175556      2.826121
  C      -9.116257      1.933010      3.707886
  F      -8.194010      2.935887      3.815030
  C      -9.031171      0.746840      4.466302
  C      -7.951855      0.453228      5.446561
  O      -8.130746     -0.415512      6.344672
  N      -6.739181      1.152286      5.228940
  C      -6.095496      1.559738      6.274821
  C     -10.063618     -0.182204      4.297727
  H      -5.536828      5.389873     -0.466746
  H      -3.788849      5.427820     -0.798286
  H      -4.846351      4.261803     -1.627764
  H      -7.037881      3.440521     -0.575395
  H      -8.546408      1.568787      0.041016
  H      -3.817944     -1.722375      4.618470
  H      -4.046000      1.797215      2.026153
  H      -8.003618     10.615327     -0.430402
  H      -6.908487     10.108133     -1.732792
  H      -8.644308      9.655326     -1.811750
  H      -5.580025     10.447508      0.174538
  H      -3.800820     10.275518      1.902499
  H      -4.636094      3.706254      3.671784
  H      -7.070344      6.585989      1.364807
  H     -14.063454     -1.627091      2.445999
  H     -13.058143     -0.675098      1.337124
  H     -13.858925      0.143875      2.663222
  H     -11.967757      1.375856      2.003417
  H     -10.190527      3.139740      2.260625
  H      -6.588514      1.578964      7.263105
  H     -10.026520     -1.096111      4.874267
  N      -1.912420      1.989613      3.000544
  H      -1.749986      1.076053      2.563818
  H      -0.990820      2.358732      3.261257
  H      -2.269672      2.622269      2.258067
90
Coordinates from ORCA-job orca E -6670.473822313603
  N      -2.694157      0.020033      5.202723
  Mo     -3.383780      1.888768      4.771662
  N      -4.817910      1.979609      6.232518
  C      -4.343192      2.662988      7.435810
  C      -2.949793      2.165488      7.775006
  N      -2.046636      2.123897      6.561957
  C      -1.122115      0.941228      6.660310
  C      -1.885629     -0.332970      6.339178
  C      -1.228409      3.375030      6.415119
  C      -2.083752      4.506213      5.875498
  N      -2.973950      3.876259      4.921411
  H      -1.184285     -1.148530      6.104628
  H      -2.517541     -0.662752      7.179071
  H      -0.330058      1.086800      5.914463
  H      -0.662200      0.911363      7.655135
  H      -2.663813      5.018911      6.659643
  H      -1.454622      5.266786      5.390092
  H      -0.759302      3.623575      7.376314
  H      -0.431473      3.143904      5.696518
  H      -5.008953      2.461449      8.290001
  H      -4.351961      3.750187      7.273891
  H      -3.029713      1.138717      8.148314
  H      -2.472753      2.778235      8.551665
  C      -4.587701      4.863548     -0.698438
  C      -4.289393      3.855831      0.377110
  O      -3.213676      3.884788      0.999501
  C      -5.317496      2.813199      0.677634
  C      -6.597998      2.761371      0.090864
  C      -7.490358      1.721834      0.412529
  C      -7.099572      0.731155      1.314443
  F      -7.979653     -0.258477      1.585524
  C      -5.838133      0.769613      1.951542
  C      -5.347955     -0.259944      2.907746
  O      -5.739095     -1.416584      2.966671
  N      -4.274555      0.207832      3.718722
  C      -3.591430     -0.656911      4.502290
  C      -4.981401      1.815659      1.593303
  C      -7.912511      9.628349     -1.184756
  C      -7.579461      8.364948     -0.420314
  O      -8.175748      7.300850     -0.645030
  C      -6.498827      8.420914      0.625858
  C      -5.606785      9.506544      0.760857
  C      -4.589194      9.469301      1.719575
  C      -4.459217      8.348881      2.548594
  F      -3.453652      8.374994      3.458606
  C      -5.342199      7.247639      2.458029
  C      -5.297296      5.979974      3.253464
  O      -6.247097      5.199659      3.216413
  N      -4.128979      5.728104      3.984632
  C      -3.913082      4.459131      4.191530
  C      -6.357586      7.328331      1.489543
  C     -13.385951     -0.731649      2.485670
  C     -12.189546     -0.962652      3.357437
  O     -12.064853     -2.010899      3.994624
  C     -11.144402      0.091184      3.438236
  C     -11.206754      1.282235      2.676196
  C     -10.208568      2.231487      2.781143
  C      -9.145775      1.990173      3.646063
  F      -8.203627      2.931465      3.734735
  C      -9.045216      0.823309      4.420182
  C      -7.942538      0.524049      5.383955
  O      -8.105002     -0.323554      6.307184
  N      -6.733409      1.159952      5.178738
  C      -6.096247      1.542025      6.244823
  C     -10.069357     -0.111233      4.303623
  H      -5.492835      5.439648     -0.458361
  H      -3.742641      5.541727     -0.809793
  H      -4.785216      4.359533     -1.652859
  H      -6.920430      3.531389     -0.611248
  H      -8.501319      1.663781     -0.023142
  H      -3.801943     -1.739428      4.575268
  H      -3.978721      1.832219      2.008146
  H      -8.136632     10.453450     -0.493138
  H      -7.055412      9.949971     -1.799036
  H      -8.772483      9.440786     -1.843048
  H      -5.694872     10.380905      0.111317
  H      -3.886335     10.296707      1.840575
  H      -4.595637      3.704957      3.694426
  H      -7.060427      6.497844      1.414962
  H     -14.075389     -1.580190      2.591537
  H     -13.047171     -0.631961      1.439204
  H     -13.928881      0.201188      2.753664
  H     -12.038787      1.471786      1.999493
  H     -10.234863      3.157447      2.217800
  H      -6.599424      1.564607      7.226326
  H     -10.018920     -1.035636      4.909434
  N      -1.867307      1.987088      3.035018
  H      -1.703588      1.080709      2.588160
  H      -0.952732      2.344381      3.313240
  H      -2.207584      2.628559      2.299943
90
Coordinates from ORCA-job orca E -6670.472339697832
  N      -2.675895      0.034818      5.223543
  Mo     -3.389538      1.898396      4.775994
  N      -4.806899      1.993708      6.255115
  C      -4.323447      2.697475      7.447209
  C      -2.917736      2.217458      7.776851
  N      -2.028694      2.170934      6.552535
  C      -1.090772      0.995231      6.659670
  C      -1.849569     -0.296676      6.360836
  C      -1.220922      3.432534      6.379485
  C      -2.093960      4.551007      5.830844
  N      -2.990512      3.898141      4.892827
  H      -1.140409     -1.107931      6.130822
  H      -2.470326     -0.625156      7.211700
  H      -0.308349      1.139851      5.902643
  H      -0.616750      0.983754      7.655021
  H      -2.668781      5.070405      6.614083
  H      -1.477117      5.313500      5.327084
  H      -0.740379      3.699442      7.334587
  H      -0.430937      3.198833      5.653246
  H      -4.976534      2.498515      8.312316
  H      -4.345936      3.785983      7.270918
  H      -2.982442      1.192534      8.164600
  H      -2.434353      2.845103      8.541723
  C      -4.806444      4.757075     -0.762897
  C      -4.474178      3.776021      0.333591
  O      -3.378611      3.824376      0.934396
  C      -5.462203      2.719864      0.684805
  C      -6.740413      2.624293      0.131306
  C      -7.564269      1.575457      0.487955
  C      -7.129578      0.620044      1.401434
  F      -7.951706     -0.382439      1.708963
  C      -5.875096      0.701506      2.009899
  C      -5.351384     -0.297829      2.980822
  O      -5.755606     -1.473915      3.070229
  N      -4.276592      0.185074      3.763956
  C      -3.576955     -0.656321      4.542826
  C      -5.069911      1.755844      1.609427
  C      -7.752348      9.808078     -1.150842
  C      -7.477447      8.522660     -0.409345
  O      -8.096901      7.482129     -0.664908
  C      -6.419718      8.522782      0.646593
  C      -5.499094      9.571496      0.808939
  C      -4.504097      9.485134      1.772883
  C      -4.422088      8.352011      2.577181
  F      -3.438851      8.327549      3.492690
  C      -5.332272      7.286881      2.460361
  C      -5.322632      6.009912      3.237735
  O      -6.296263      5.249821      3.199080
  N      -4.155888      5.738432      3.959958
  C      -3.940228      4.468684      4.168313
  C      -6.329473      7.415431      1.488365
  C     -13.373231     -0.759377      2.338481
  C     -12.184842     -1.029717      3.258816
  O     -12.081903     -2.062460      3.874383
  C     -11.125184      0.020728      3.396673
  C     -11.170380      1.216400      2.662490
  C     -10.164599      2.174119      2.816027
  C      -9.114250      1.950447      3.692593
  F      -8.185426      2.942189      3.810410
  C      -9.022109      0.761695      4.451135
  C      -7.929063      0.452864      5.437291
  O      -8.078128     -0.381088      6.290322
  N      -6.726900      1.133852      5.229281
  C      -6.081210      1.536595      6.283592
  C     -10.054895     -0.182984      4.287588
  H      -5.709848      5.325627     -0.494336
  H      -3.946121      5.450452     -0.922705
  H      -5.039614      4.220681     -1.720471
  H      -7.097004      3.367979     -0.580339
  H      -8.557149      1.479360      0.069447
  H      -3.772940     -1.730325      4.629197
  H      -4.064012      1.806242      1.995472
  H      -7.967098     10.634163     -0.457183
  H      -6.870256     10.101611     -1.738743
  H      -8.600269      9.662253     -1.821366
  H      -5.547586     10.456633      0.176188
  H      -3.779050     10.284347      1.914847
  H      -4.624708      3.707552      3.683388
  H      -7.057850      6.610256      1.394105
  H     -14.069221     -1.585776      2.401494
  H     -13.071306     -0.648777      1.282671
  H     -13.866025      0.178827      2.623930
  H     -12.005338      1.426129      1.957313
  H     -10.183639      3.099830      2.277079
  H      -6.575666      1.552554      7.271913
  H     -10.021274     -1.100762      4.866698
  N      -1.893509      2.004082      3.021950
  H      -1.724580      1.093528      2.581256
  H      -0.975548      2.377193      3.286626
  H      -2.254607      2.638249      2.282989
90
Coordinates from ORCA-job orca E -6670.473588490501
  N      -2.674065      0.030866      5.213558
  Mo     -3.389777      1.893774      4.766949
  N      -4.817441      1.990019      6.238068
  C      -4.339096      2.693200      7.434158
  C      -2.935887      2.212328      7.771720
  N      -2.039240      2.166674      6.551736
  C      -1.100038      0.990948      6.661021
  C      -1.855656     -0.300007      6.356977
  C      -1.232574      3.431001      6.384737
  C      -2.106625      4.547918      5.832684
  N      -2.995895      3.893529      4.887775
  H      -1.146429     -1.112784      6.132967
  H      -2.483002     -0.625470      7.203128
  H      -0.312143      1.136030      5.909810
  H      -0.632716      0.978084      7.659582
  H      -2.689474      5.065894      6.612643
  H      -1.487519      5.312346      5.333925
  H      -0.758790      3.699614      7.343107
  H      -0.435719      3.199783      5.664041
  H      -4.997753      2.494732      8.294953
  H      -4.359739      3.781984      7.259209
  H      -3.003692      1.186856      8.157898
  H      -2.457649      2.839703      8.540651
  C      -4.772975      4.778985     -0.723493
  C      -4.475337      3.784320      0.356628
  O      -3.394513      3.813382      0.963442
  C      -5.476032      2.735566      0.686787
  C      -6.781002      2.642812      0.135297
  C      -7.609422      1.589668      0.484612
  C      -7.154991      0.626670      1.386362
  F      -7.965679     -0.379850      1.677424
  C      -5.880095      0.707121      1.995520
  C      -5.341002     -0.294410      2.956147
  O      -5.727153     -1.441330      3.037280
  N      -4.268200      0.182428      3.745871
  C      -3.572790     -0.660694      4.529593
  C      -5.072653      1.766865      1.602457
  C      -7.711562      9.841108     -1.151117
  C      -7.440970      8.547185     -0.432021
  O      -8.039629      7.533636     -0.716015
  C      -6.402164      8.527236      0.633656
  C      -5.489594      9.571170      0.816716
  C      -4.506200      9.473710      1.783667
  C      -4.432958      8.332625      2.571168
  F      -3.462805      8.295757      3.492130
  C      -5.335471      7.272124      2.438363
  C      -5.324945      5.991194      3.212513
  O      -6.288544      5.224490      3.160936
  N      -4.159241      5.730848      3.944188
  C      -3.941474      4.463838      4.152683
  C      -6.320177      7.409361      1.460569
  C     -13.354465     -0.836864      2.430364
  C     -12.157562     -1.068525      3.319633
  O     -12.034563     -2.107146      3.949031
  C     -11.129275      0.035061      3.403536
  C     -11.186023      1.225469      2.651785
  C     -10.190871      2.194823      2.775574
  C      -9.125498      1.950910      3.660823
  F      -8.185406      2.904901      3.775087
  C      -9.032061      0.786691      4.425373
  C      -7.939742      0.495302      5.402163
  O      -8.097971     -0.326760      6.280798
  N      -6.735507      1.149021      5.198398
  C      -6.096495      1.543203      6.257734
  C     -10.061721     -0.148517      4.278493
  H      -5.669571      5.351460     -0.509011
  H      -3.949033      5.460037     -0.832588
  H      -4.951708      4.269661     -1.653612
  H      -7.151437      3.389609     -0.567599
  H      -8.614315      1.496308      0.067169
  H      -3.770333     -1.732164      4.617466
  H      -4.050692      1.817008      1.987940
  H      -7.938318     10.651798     -0.444850
  H      -6.823801     10.148056     -1.720326
  H      -8.548646      9.704824     -1.835453
  H      -5.532243     10.464594      0.195204
  H      -3.782510     10.271196      1.941080
  H      -4.618881      3.703562      3.663950
  H      -7.047686      6.604968      1.351421
  H     -14.037437     -1.685181      2.524985
  H     -13.027468     -0.731322      1.387261
  H     -13.892898      0.083233      2.697911
  H     -11.996031      1.379999      1.980877
  H     -10.221672      3.140580      2.208580
  H      -6.598269      1.566374      7.240310
  H     -10.010810     -1.067318      4.872612
  N      -1.880445      1.996992      3.021131
  H      -1.709815      1.086824      2.578682
  H      -0.963241      2.367650      3.293721
  H      -2.233926      2.633927      2.279559
90
Coordinates from ORCA-job orca E -6670.472121132637
  N      -2.683087      0.025273      5.204752
  Mo     -3.395545      1.885766      4.767104
  N      -4.819698      1.975732      6.236122
  C      -4.342590      2.670584      7.432566
  C      -2.942074      2.187756      7.766453
  N      -2.047249      2.146843      6.548331
  C      -1.111803      0.973281      6.652742
  C      -1.867198     -0.311196      6.344972
  C      -1.240478      3.404855      6.385717
  C      -2.108349      4.524305      5.838827
  N      -2.997529      3.879477      4.892752
  H      -1.159559     -1.121947      6.116289
  H      -2.493573     -0.639727      7.189550
  H      -0.325009      1.120314      5.902168
  H      -0.646238      0.955066      7.647447
  H      -2.688364      5.038563      6.619917
  H      -1.488355      5.286532      5.343922
  H      -0.768030      3.665938      7.343098
  H      -0.446080      3.174738      5.664884
  H      -5.000405      2.467820      8.292400
  H      -4.362750      3.757492      7.262863
  H      -3.010568      1.162021      8.146952
  H      -2.464258      2.809183      8.536563
  C      -4.612878      4.811555     -0.681661
  C      -4.307037      3.805599      0.388314
  O      -3.251647      3.832215      0.995217
  C      -5.330557      2.762449      0.698627
  C      -6.597618      2.703441      0.113477
  C      -7.482385      1.658807      0.445538
  C      -7.096104      0.672410      1.355633
  F      -7.969622     -0.320040      1.637409
  C      -5.842870      0.720569      1.988550
  C      -5.348304     -0.297356      2.947019
  O      -5.718497     -1.439222      3.017836
  N      -4.280066      0.183612      3.740373
  C      -3.585328     -0.662731      4.522638
  C      -4.994483      1.769376      1.620250
  C      -7.888196      9.718809     -1.157184
  C      -7.569968      8.443984     -0.414168
  O      -8.183696      7.400610     -0.648032
  C      -6.481433      8.471590      0.625590
  C      -5.571699      9.539867      0.770332
  C      -4.551678      9.476731      1.722560
  C      -4.438536      8.347757      2.535612
  F      -3.431342      8.349028      3.441346
  C      -5.338460      7.263882      2.436644
  C      -5.311511      5.990382      3.222707
  O      -6.271997      5.220304      3.183019
  N      -4.148354      5.728359      3.955034
  C      -3.938562      4.458588      4.160004
  C      -6.354022      7.368767      1.472914
  C     -13.387104     -0.719301      2.425609
  C     -12.199289     -0.977518      3.312873
  O     -12.093259     -2.058589      3.938422
  C     -11.143035      0.079889      3.425825
  C     -11.189975      1.274206      2.691695
  C     -10.187616      2.224895      2.822368
  C      -9.132093      1.968847      3.690142
  F      -8.188817      2.920247      3.799741
  C      -9.041864      0.788720      4.441486
  C      -7.944499      0.474325      5.406105
  O      -8.106466     -0.402601      6.314611
  N      -6.736491      1.138685      5.199608
  C      -6.096457      1.528566      6.257134
  C     -10.073898     -0.138319      4.294836
  H      -5.528657      5.404303     -0.414297
  H      -3.750108      5.486658     -0.799363
  H      -4.832363      4.297307     -1.648350
  H      -6.914059      3.469331     -0.596243
  H      -8.477663      1.593715      0.009873
  H      -3.787393     -1.738887      4.608990
  H      -4.001071      1.792477      2.031773
  H      -8.094546     10.539200     -0.450604
  H      -7.026656     10.034175     -1.775037
  H      -8.759741      9.551376     -1.811163
  H      -5.648536     10.421810      0.133969
  H      -3.834122     10.291077      1.851382
  H      -4.620101      3.704556      3.665375
  H      -7.069550      6.550248      1.389035
  H     -14.089151     -1.574077      2.501727
  H     -13.055934     -0.605122      1.382999
  H     -13.904989      0.208011      2.708361
  H     -12.018975      1.477043      2.007067
  H     -10.212593      3.185659      2.261884
  H      -6.593862      1.546116      7.242585
  H     -10.034012     -1.054135      4.871353
  N      -1.898433      1.987061      3.014078
  H      -1.734268      1.079188      2.569890
  H      -0.981704      2.352060      3.281039
  H      -2.251856      2.623873      2.279099
90
Coordinates from ORCA-job orca E -6670.473386067024
  N      -2.673008      0.035915      5.201087
  Mo     -3.392219      1.897538      4.769382
  N      -4.811764      1.984129      6.242163
  C      -4.333770      2.677771      7.439562
  C      -2.932533      2.195015      7.769411
  N      -2.040126      2.157582      6.548758
  C      -1.102999      0.983983      6.650751
  C      -1.856948     -0.301987      6.340339
  C      -1.234513      3.417328      6.387239
  C      -2.103609      4.536430      5.842933
  N      -2.993317      3.892034      4.896371
  H      -1.147914     -1.111504      6.110153
  H      -2.483000     -0.633809      7.184995
  H      -0.317224      1.134490      5.899140
  H      -0.635924      0.965177      7.645736
  H      -2.683273      5.048427      6.626269
  H      -1.485460      5.301621      5.348366
  H      -0.760628      3.677051      7.344705
  H      -0.441194      3.189131      5.664236
  H      -4.989816      2.471986      8.300483
  H      -4.355576      3.765402      7.271971
  H      -2.999340      1.168300      8.148010
  H      -2.452779      2.814553      8.539954
  C      -4.758354      4.825689     -0.685641
  C      -4.446212      3.826980      0.395509
  O      -3.353434      3.868515      1.009513
  C      -5.437916      2.763570      0.706754
  C      -6.727554      2.678152      0.135251
  C      -7.567537      1.621038      0.460436
  C      -7.136692      0.648372      1.361012
  F      -7.971140     -0.360972      1.638386
  C      -5.875455      0.721043      1.988232
  C      -5.359806     -0.288873      2.949736
  O      -5.757812     -1.452498      3.026961
  N      -4.279796      0.195554      3.743038
  C      -3.580092     -0.652863      4.519683
  C      -5.054454      1.782103      1.617315
  C      -7.744706      9.774894     -1.203203
  C      -7.461567      8.494546     -0.444644
  O      -8.066263      7.446288     -0.694513
  C      -6.407922      8.512295      0.618982
  C      -5.494318      9.572651      0.777993
  C      -4.501539      9.499126      1.749410
  C      -4.414587      8.367359      2.564683
  F      -3.430538      8.357059      3.485987
  C      -5.319072      7.290868      2.450986
  C      -5.307865      6.013890      3.232647
  O      -6.272494      5.247237      3.179064
  N      -4.146103      5.743144      3.965579
  C      -3.934663      4.472092      4.166357
  C      -6.313155      7.407356      1.471903
  C     -13.378717     -0.782849      2.403149
  C     -12.191987     -1.039454      3.312989
  O     -12.088096     -2.085430      3.940293
  C     -11.130892      0.004648      3.436792
  C     -11.184716      1.195062      2.693774
  C     -10.184223      2.146581      2.825480
  C      -9.136187      1.939919      3.680109
  F      -8.211355      2.934393      3.770032
  C      -9.034178      0.751484      4.452551
  C      -7.936329      0.453116      5.425480
  O      -8.093112     -0.407827      6.319906
  N      -6.729079      1.134767      5.208995
  C      -6.088340      1.534772      6.263834
  C     -10.057314     -0.202593      4.317387
  H      -5.664219      5.357276     -0.463427
  H      -3.949126      5.532992     -0.799238
  H      -4.927085      4.325122     -1.631304
  H      -7.083332      3.435435     -0.563507
  H      -8.573825      1.534097      0.029682
  H      -3.781374     -1.731466      4.604892
  H      -4.043328      1.825300      2.018318
  H      -7.970371     10.603751     -0.515974
  H      -6.865133     10.076579     -1.791127
  H      -8.587397      9.615080     -1.879926
  H      -5.545391     10.455970      0.137028
  H      -3.781688     10.306522      1.888398
  H      -4.617297      3.717612      3.669921
  H      -7.034693      6.594746      1.379063
  H     -14.080539     -1.629355      2.474762
  H     -13.062816     -0.675539      1.346455
  H     -13.878640      0.157231      2.684292
  H     -12.030263      1.407597      1.990735
  H     -10.206822      3.055691      2.283928
  H      -6.584841      1.548582      7.250730
  H     -10.015262     -1.126552      4.908584
  N      -1.898542      2.009879      3.012348
  H      -1.735191      1.103985      2.563579
  H      -0.981180      2.374952      3.277885
  H      -2.255987      2.649832      2.281573
90
Coordinates from ORCA-job orca E -6670.472115995346
  N      -2.646588      0.034075      5.217215
  Mo     -3.383571      1.890901      4.773899
  N      -4.815055      1.975588      6.239685
  C      -4.347050      2.682127      7.438480
  C      -2.939893      2.213598      7.779197
  N      -2.039731      2.177195      6.561690
  C      -1.089798      1.010066      6.674306
  C      -1.831516     -0.289088      6.364910
  C      -1.244510      3.448398      6.397030
  C      -2.126079      4.556792      5.839805
  N      -3.005321      3.894499      4.889949
  H      -1.111718     -1.093912      6.143190
  H      -2.459755     -0.623055      7.207243
  H      -0.300509      1.163012      5.926044
  H      -0.625815      1.001580      7.674374
  H      -2.717449      5.069829      6.616972
  H      -1.512193      5.327032      5.344125
  H      -0.776661      3.722161      7.357032
  H      -0.443412      3.223356      5.679123
  H      -5.006279      2.476577      8.297367
  H      -4.377853      3.770969      7.264372
  H      -2.999415      1.187027      8.163793
  H      -2.469106      2.844263      8.550217
  C      -4.844776      4.751186     -0.766720
  C      -4.510147      3.766765      0.317815
  O      -3.414736      3.822324      0.913783
  C      -5.493658      2.700117      0.671805
  C      -6.785269      2.589483      0.131021
  C      -7.593388      1.530132      0.493435
  C      -7.130155      0.579295      1.399963
  F      -7.929638     -0.432214      1.709203
  C      -5.866225      0.674851      1.998237
  C      -5.318384     -0.318777      2.965416
  O      -5.706415     -1.487179      3.057842
  N      -4.249674      0.171506      3.754276
  C      -3.542531     -0.664745      4.539139
  C      -5.079006      1.739915      1.592551
  C      -7.694471      9.875809     -1.141895
  C      -7.431342      8.580166     -0.423263
  O      -8.048428      7.559938     -0.704986
  C      -6.385726      8.554368      0.640633
  C      -5.466127      9.592557      0.826947
  C      -4.480688      9.487003      1.796146
  C      -4.410349      8.344385      2.582321
  F      -3.437398      8.300455      3.504548
  C      -5.319811      7.289037      2.443559
  C      -5.317345      6.005074      3.208776
  O      -6.285589      5.242892      3.149483
  N      -4.161781      5.734213      3.948485
  C      -3.946804      4.464400      4.151153
  C      -6.306104      7.435650      1.464471
  C     -13.371337     -0.804959      2.422784
  C     -12.171962     -1.044533      3.313533
  O     -12.045840     -2.064853      3.937864
  C     -11.135538      0.032246      3.402474
  C     -11.199739      1.223004      2.652515
  C     -10.203632      2.191257      2.772604
  C      -9.128101      1.942651      3.656057
  F      -8.196788      2.911870      3.761858
  C      -9.025293      0.769602      4.418485
  C      -7.924749      0.467389      5.388870
  O      -8.066206     -0.350633      6.239766
  N      -6.727005      1.124139      5.190630
  C      -6.090198      1.518639      6.254266
  C     -10.057196     -0.156420      4.272663
  H      -5.759940      5.323191     -0.505237
  H      -3.993406      5.452197     -0.909819
  H      -5.060844      4.215344     -1.718138
  H      -7.162347      3.327730     -0.576188
  H      -8.591746      1.422956      0.084187
  H      -3.733065     -1.740874      4.631601
  H      -4.064074      1.801951      1.969816
  H      -7.909705     10.689436     -0.435876
  H      -6.806567     10.173439     -1.717259
  H      -8.538352      9.745610     -1.821148
  H      -5.506744     10.486491      0.208367
  H      -3.754394     10.279052      1.955933
  H      -4.617978      3.704870      3.652973
  H      -7.035743      6.636500      1.351356
  H     -14.051722     -1.633112      2.514015
  H     -13.059518     -0.700935      1.375645
  H     -13.896887      0.124694      2.696822
  H     -12.020854      1.390128      1.985013
  H     -10.239240      3.133142      2.212604
  H      -6.593887      1.535505      7.236453
  H     -10.003987     -1.076706      4.864970
  N      -1.876957      2.009201      3.028281
  H      -1.700591      1.101019      2.583688
  H      -0.962574      2.385521      3.301551
  H      -2.236896      2.645742      2.289729
90
Coordinates from ORCA-job orca E -6670.476868336233
  N      -2.667782      0.035995      5.208871
  Mo     -3.399993      1.890926      4.771315
  N      -4.816406      1.980556      6.248513
  C      -4.336328      2.685260      7.440775
  C      -2.930097      2.211788      7.769413
  N      -2.041852      2.171149      6.544996
  C      -1.097357      1.003152      6.652103
  C      -1.846797     -0.289996      6.352060
  C      -1.243110      3.436674      6.371294
  C      -2.122524      4.547495      5.821161
  N      -3.010735      3.889752      4.879716
  H      -1.133283     -1.097471      6.126627
  H      -2.469513     -0.619284      7.200300
  H      -0.314419      1.152731      5.897158
  H      -0.627133      0.992595      7.648049
  H      -2.704401      5.061322      6.602152
  H      -1.510232      5.314401      5.319384
  H      -0.767125      3.707200      7.326637
  H      -0.449883      3.208984      5.646926
  H      -4.988518      2.481947      8.305185
  H      -4.364202      3.772900      7.265099
  H      -2.990369      1.186686      8.156135
  H      -2.450160      2.840108      8.535164
  C      -4.799233      4.780234     -0.685663
  C      -4.449618      3.777783      0.383048
  O      -3.377583      3.813374      0.988424
  C      -5.433145      2.714913      0.702855
  C      -6.710482      2.614951      0.134896
  C      -7.553519      1.553641      0.484503
  C      -7.125872      0.591622      1.397826
  F      -7.965923     -0.417728      1.701069
  C      -5.863967      0.679264      2.015258
  C      -5.343325     -0.319350      2.982247
  O      -5.703098     -1.479378      3.058848
  N      -4.279382      0.173575      3.763361
  C      -3.575665     -0.659297      4.541053
  C      -5.050067      1.744195      1.624928
  C      -7.751542      9.839526     -1.152406
  C      -7.475110      8.549390     -0.423320
  O      -8.096053      7.524520     -0.684047
  C      -6.409731      8.538446      0.627196
  C      -5.480094      9.582355      0.790576
  C      -4.478140      9.486091      1.746952
  C      -4.403476      8.348197      2.544497
  F      -3.412874      8.313949      3.453477
  C      -5.323270      7.288345      2.429269
  C      -5.322528      6.008249      3.206238
  O      -6.294583      5.249041      3.153678
  N      -4.162533      5.735685      3.942195
  C      -3.953766      4.464967      4.144590
  C      -6.322333      7.425011      1.461413
  C     -13.361727     -0.777832      2.372603
  C     -12.177616     -1.041531      3.277817
  O     -12.076786     -2.106335      3.893511
  C     -11.125797      0.036672      3.401974
  C     -11.171703      1.242419      2.672885
  C     -10.166701      2.202060      2.822878
  C      -9.110172      1.946105      3.705185
  F      -8.158889      2.885631      3.843894
  C      -9.029877      0.771431      4.443986
  C      -7.937177      0.453905      5.420730
  O      -8.092205     -0.405005      6.293886
  N      -6.733057      1.125368      5.220348
  C      -6.092678      1.525181      6.275452
  C     -10.063441     -0.168610      4.278319
  H      -5.723438      5.321235     -0.426758
  H      -3.983512      5.481121     -0.795395
  H      -4.993560      4.287960     -1.650846
  H      -7.062367      3.363747     -0.574482
  H      -8.553170      1.455953      0.063200
  H      -3.770965     -1.728748      4.636329
  H      -4.048680      1.800304      2.022492
  H      -7.960056     10.658225     -0.446287
  H      -6.871221     10.139449     -1.743952
  H      -8.605736      9.699573     -1.822028
  H      -5.525143     10.471938      0.163168
  H      -3.742428     10.281731      1.888900
  H      -4.633183      3.710587      3.651910
  H      -7.057399      6.622390      1.364440
  H     -14.060179     -1.625941      2.434296
  H     -13.040406     -0.657066      1.326932
  H     -13.869363      0.150911      2.660780
  H     -11.991483      1.434440      1.989515
  H     -10.185918      3.160514      2.273354
  H      -6.588700      1.542847      7.261562
  H     -10.030086     -1.090301      4.849784
  N      -1.918080      1.997250      3.003932
  H      -1.754331      1.088270      2.559219
  H      -0.997513      2.367821      3.262791
  H      -2.282973      2.632981      2.269554
90
Coordinates from ORCA-job orca E -6670.473209188559
  N      -2.636111      0.034394      5.190156
  Mo     -3.381071      1.888987      4.768899
  N      -4.820019      1.954791      6.222661
  C      -4.364369      2.645690      7.430400
  C      -2.961962      2.175974      7.773768
  N      -2.053777      2.156239      6.563741
  C      -1.102121      0.993504      6.668310
  C      -1.833475     -0.300022      6.338487
  C      -1.262732      3.426535      6.419140
  C      -2.140154      4.536700      5.869926
  N      -3.008533      3.887054      4.906278
  H      -1.109145     -1.098631      6.111590
  H      -2.468105     -0.646680      7.170489
  H      -0.307259      1.158132      5.928958
  H      -0.648495      0.974599      7.667366
  H      -2.739170      5.037290      6.647603
  H      -1.524780      5.311942      5.389624
  H      -0.805074      3.688407      7.383082
  H      -0.456616      3.210946      5.706028
  H      -5.029430      2.428148      8.281487
  H      -4.395951      3.733602      7.270353
  H      -3.021990      1.145564      8.143403
  H      -2.499240      2.795814      8.554098
  C      -4.685666      4.835196     -0.695275
  C      -4.418710      3.835011      0.374014
  O      -3.346877      3.888121      0.977451
  C      -5.435695      2.766843      0.690143
  C      -6.726232      2.684165      0.119487
  C      -7.561943      1.621471      0.439917
  C      -7.119614      0.641597      1.333056
  F      -7.931006     -0.371631      1.596421
  C      -5.858811      0.711284      1.959601
  C      -5.319525     -0.301712      2.909221
  O      -5.693494     -1.443021      2.981319
  N      -4.245192      0.189086      3.719681
  C      -3.534070     -0.660186      4.504491
  C      -5.050744      1.777512      1.598083
  C      -7.746531      9.776519     -1.212523
  C      -7.458526      8.494968     -0.462385
  O      -8.063156      7.459348     -0.717784
  C      -6.407891      8.508786      0.607066
  C      -5.507220      9.571715      0.779486
  C      -4.517401      9.498554      1.757232
  C      -4.423944      8.363607      2.567629
  F      -3.442500      8.354942      3.496512
  C      -5.316194      7.284209      2.441800
  C      -5.301213      6.005292      3.219471
  O      -6.251411      5.230292      3.148644
  N      -4.153185      5.740473      3.972817
  C      -3.941163      4.469163      4.164207
  C      -6.304780      7.399455      1.453807
  C     -13.414223     -0.763706      2.511311
  C     -12.212877     -1.002483      3.378372
  O     -12.089429     -2.057053      4.015699
  C     -11.156828      0.034353      3.460856
  C     -11.219943      1.213031      2.713226
  C     -10.219795      2.157241      2.812171
  C      -9.155726      1.931635      3.653204
  F      -8.233793      2.921243      3.714342
  C      -9.038882      0.738465      4.431213
  C      -7.930358      0.437778      5.373444
  O      -8.079669     -0.432496      6.270602
  N      -6.725993      1.109253      5.164313
  C      -6.094986      1.496901      6.228575
  C     -10.064823     -0.190110      4.319830
  H      -5.598935      5.423722     -0.471052
  H      -3.823170      5.534861     -0.807278
  H      -4.863623      4.295169     -1.633656
  H      -7.081905      3.444320     -0.578592
  H      -8.561793      1.536173      0.008448
  H      -3.728125     -1.747183      4.589379
  H      -4.035299      1.816845      1.995207
  H      -7.971481     10.597096     -0.515087
  H      -6.868683     10.087928     -1.801023
  H      -8.592976      9.616712     -1.892437
  H      -5.565993     10.458762      0.144435
  H      -3.807492     10.308952      1.907084
  H      -4.608580      3.717712      3.647785
  H      -7.013948      6.583455      1.347405
  H     -14.107846     -1.613240      2.615059
  H     -13.087992     -0.661819      1.464952
  H     -13.943682      0.166371      2.785101
  H     -12.070267      1.422399      2.035971
  H     -10.255181      3.087022      2.251371
  H      -6.599250      1.502346      7.211146
  H     -10.008254     -1.104178      4.911304
  N      -1.877428      2.023886      3.020986
  H      -1.704406      1.122109      2.566570
  H      -0.965845      2.392730      3.295226
  H      -2.235092      2.666843      2.292970
90
Coordinates from ORCA-job orca E -6670.477618813953
  N      -2.636264      0.032406      5.211521
  Mo     -3.380775      1.886092      4.771193
  N      -4.815794      1.976002      6.229385
  C      -4.354199      2.681929      7.429765
  C      -2.950040      2.213859      7.776120
  N      -2.046567      2.176412      6.563027
  C      -1.096920      1.011533      6.681421
  C      -1.832545     -0.287149      6.365626
  C      -1.253176      3.445215      6.399991
  C      -2.129808      4.551007      5.834341
  N      -3.001463      3.888962      4.878589
  H      -1.111160     -1.089646      6.150456
  H      -2.466396     -0.620947      7.201124
  H      -0.303757      1.164844      5.938818
  H      -0.640793      1.004078      7.683664
  H      -2.726190      5.064598      6.606446
  H      -1.513945      5.319275      5.342411
  H      -0.791701      3.720747      7.361505
  H      -0.449206      3.217726      5.687122
  H      -5.016553      2.476002      8.285731
  H      -4.385247      3.769152      7.255518
  H      -3.011104      1.188744      8.160113
  H      -2.482386      2.843500      8.547871
  C      -4.855356      4.771823     -0.708345
  C      -4.484888      3.774706      0.361731
  O      -3.393418      3.836439      0.961523
  C      -5.451331      2.693414      0.690875
  C      -6.733868      2.579299      0.131776
  C      -7.552922      1.511410      0.480098
  C      -7.107499      0.556455      1.390853
  F      -7.925853     -0.460250      1.693962
  C      -5.846992      0.654625      2.002312
  C      -5.312114     -0.339564      2.968951
  O      -5.695467     -1.503777      3.058042
  N      -4.247365      0.161977      3.757771
  C      -3.539196     -0.669816      4.541552
  C      -5.047718      1.726444      1.609908
  C      -7.742165      9.882407     -1.133858
  C      -7.458413      8.588827     -0.422490
  O      -8.084156      7.564947     -0.695466
  C      -6.387073      8.566975      0.629193
  C      -5.463076      9.607212      0.813504
  C      -4.457089      9.500534      1.773776
  C      -4.370826      8.355660      2.554413
  F      -3.376937      8.312655      3.468195
  C      -5.285898      7.298548      2.416400
  C      -5.280505      6.011652      3.170427
  O      -6.251825      5.251869      3.108009
  N      -4.135979      5.736288      3.924812
  C      -3.932434      4.464383      4.129869
  C      -6.290068      7.446670      1.446107
  C     -13.390691     -0.788077      2.425674
  C     -12.191686     -1.035046      3.316033
  O     -12.071989     -2.071767      3.946299
  C     -11.145008      0.033112      3.410427
  C     -11.206431      1.218415      2.665850
  C     -10.211648      2.180564      2.781936
  C      -9.144162      1.948433      3.647110
  F      -8.222426      2.940938      3.731047
  C      -9.035183      0.764464      4.416936
  C      -7.927781      0.455576      5.384399
  O      -8.070711     -0.404069      6.262578
  N      -6.725950      1.125318      5.180464
  C      -6.090979      1.521958      6.240091
  C     -10.066519     -0.163813      4.277431
  H      -5.778940      5.286730     -0.446377
  H      -4.044281      5.495818     -0.834957
  H      -5.047581      4.271587     -1.670836
  H      -7.100751      3.323009     -0.575209
  H      -8.551383      1.402419      0.060346
  H      -3.734422     -1.748699      4.641542
  H      -4.042770      1.791825      2.002778
  H      -7.945493     10.688977     -0.417472
  H      -6.864643     10.189375     -1.726984
  H      -8.605312      9.748816     -1.800579
  H      -5.517000     10.502074      0.201601
  H      -3.729141     10.292667      1.932176
  H      -4.602467      3.708670      3.624632
  H      -7.020786      6.647617      1.333073
  H     -14.080394     -1.628131      2.515328
  H     -13.079688     -0.683500      1.372922
  H     -13.907186      0.145385      2.703662
  H     -12.041196      1.401671      1.988886
  H     -10.247140      3.109791      2.227451
  H      -6.593523      1.537302      7.222223
  H     -10.013906     -1.088692      4.870774
  N      -1.879440      2.001626      3.020185
  H      -1.709194      1.094555      2.574582
  H      -0.965153      2.372571      3.290690
  H      -2.237471      2.637458      2.285495
90
Coordinates from ORCA-job orca E -6670.472718661465
  N      -2.618078      0.050675      5.173542
  Mo     -3.407659      1.893186      4.771714
  N      -4.818176      1.933884      6.257527
  C      -4.343381      2.631482      7.454100
  C      -2.923635      2.185630      7.766134
  N      -2.040648      2.184259      6.535893
  C      -1.064300      1.038563      6.622908
  C      -1.783416     -0.271423      6.312003
  C      -1.272207      3.473796      6.371576
  C      -2.184012      4.567952      5.840605
  N      -3.060529      3.898396      4.895227
  H      -1.045060     -1.059100      6.073095
  H      -2.397454     -0.631139      7.160875
  H      -0.286671      1.219484      5.865489
  H      -0.587095      1.025861      7.614121
  H      -2.776224      5.056914      6.628879
  H      -1.592178      5.359265      5.345846
  H      -0.796666      3.745483      7.325670
  H      -0.476984      3.275808      5.640491
  H      -4.986422      2.400940      8.319271
  H      -4.396268      3.721587      7.294483
  H      -2.958505      1.151310      8.138174
  H      -2.453258      2.813960      8.538345
  C      -4.827742      4.800793     -0.644979
  C      -4.504914      3.794317      0.415880
  O      -3.433790      3.836203      1.019215
  C      -5.493631      2.719332      0.731555
  C      -6.783741      2.613979      0.173014
  C      -7.606186      1.541305      0.509845
  C      -7.146334      0.573891      1.403456
  F      -7.955854     -0.449774      1.690311
  C      -5.878099      0.668520      2.014453
  C      -5.320921     -0.333738      2.964498
  O      -5.650021     -1.515645      3.025203
  N      -4.258705      0.171317      3.746682
  C      -3.523344     -0.651411      4.512722
  C      -5.086702      1.743822      1.636290
  C      -7.613068      9.842476     -1.249609
  C      -7.394985      8.549929     -0.473629
  O      -8.027880      7.513826     -0.716932
  C      -6.370982      8.543439      0.600329
  C      -5.427122      9.584466      0.749250
  C      -4.463166      9.491040      1.726414
  C      -4.433901      8.358319      2.556471
  F      -3.472780      8.326130      3.480064
  C      -5.366491      7.300850      2.454305
  C      -5.394624      6.023372      3.252629
  O      -6.368795      5.268972      3.185591
  N      -4.236165      5.742143      3.990001
  C      -4.013763      4.470420      4.167698
  C      -6.332393      7.436591      1.468798
  C     -13.382928     -0.747515      2.371657
  C     -12.197324     -1.048104      3.271637
  O     -12.107923     -2.119091      3.864864
  C     -11.131143      0.017129      3.415094
  C     -11.165636      1.256968      2.704620
  C     -10.139192      2.191886      2.884003
  C      -9.084025      1.900864      3.762591
  F      -8.109234      2.799400      3.936977
  C      -9.024085      0.723177      4.465148
  C      -7.934823      0.381373      5.425608
  O      -8.089132     -0.481665      6.259928
  N      -6.732013      1.070205      5.231797
  C      -6.089968      1.458296      6.290698
  C     -10.069573     -0.213671      4.284140
  H      -5.755219      5.364561     -0.393780
  H      -3.996510      5.505407     -0.746416
  H      -5.013369      4.286719     -1.604096
  H      -7.154458      3.366244     -0.523991
  H      -8.610078      1.438377      0.091987
  H      -3.695546     -1.717804      4.603277
  H      -4.069941      1.802935      2.022065
  H      -7.828560     10.697041     -0.576000
  H      -6.711134     10.105196     -1.820848
  H      -8.436140      9.707100     -1.937243
  H      -5.432842     10.468298      0.093033
  H      -3.716629     10.283313      1.857896
  H      -4.678411      3.717104      3.659217
  H      -7.073960      6.636617      1.379177
  H     -14.090660     -1.579583      2.417649
  H     -13.064605     -0.609063      1.329290
  H     -13.878977      0.180664      2.678849
  H     -11.982244      1.474995      2.024749
  H     -10.138388      3.144590      2.366925
  H      -6.580939      1.452348      7.283557
  H     -10.049449     -1.142903      4.832373
  N      -1.946401      2.053435      2.988528
  H      -1.770675      1.153459      2.527328
  H      -1.027252      2.437480      3.242114
  H      -2.332538      2.695644      2.267976
90
Coordinates from ORCA-job orca E -6670.477722065361
  N      -2.624028      0.041897      5.196018
  Mo     -3.391029      1.887149      4.772184
  N      -4.819533      1.956286      6.236603
  C      -4.358040      2.658902      7.436931
  C      -2.949279      2.201470      7.773501
  N      -2.051650      2.179765      6.556032
  C      -1.091089      1.025380      6.665955
  C      -1.816388     -0.276036      6.350107
  C      -1.270895      3.456573      6.393454
  C      -2.161116      4.554813      5.838449
  N      -3.028739      3.889595      4.883281
  H      -1.088210     -1.071404      6.131356
  H      -2.446528     -0.617658      7.187165
  H      -0.301955      1.189792      5.920860
  H      -0.632230      1.016669      7.665614
  H      -2.759679      5.056669      6.613990
  H      -1.554708      5.332531      5.347534
  H      -0.808224      3.731663      7.352920
  H      -0.468004      3.242288      5.676242
  H      -5.014968      2.442011      8.294325
  H      -4.398874      3.746613      7.268300
  H      -2.999835      1.173098      8.152445
  H      -2.483539      2.830481      8.546389
  C      -4.829755      4.782655     -0.686895
  C      -4.484930      3.774412      0.368400
  O      -3.403320      3.825016      0.967345
  C      -5.453301      2.693126      0.688144
  C      -6.731814      2.576665      0.126251
  C      -7.554663      1.503200      0.476714
  C      -7.106975      0.545380      1.386604
  F      -7.924551     -0.474578      1.689109
  C      -5.846107      0.647726      1.999151
  C      -5.310353     -0.343707      2.965822
  O      -5.663718     -1.497141      3.054010
  N      -4.248429      0.164615      3.752825
  C      -3.530419     -0.662630      4.531799
  C      -5.051043      1.724591      1.607567
  C      -7.713231      9.885620     -1.160330
  C      -7.434565      8.590705     -0.445295
  O      -8.043444      7.577599     -0.726323
  C      -6.377095      8.566246      0.614046
  C      -5.448110      9.605744      0.791738
  C      -4.449765      9.499471      1.754259
  C      -4.382570      8.355798      2.547025
  F      -3.395619      8.312590      3.463277
  C      -5.305118      7.299988      2.419993
  C      -5.318210      6.016171      3.195291
  O      -6.283648      5.255525      3.117910
  N      -4.171334      5.739240      3.947103
  C      -3.963500      4.466697      4.137185
  C      -6.295897      7.445837      1.442400
  C     -13.398469     -0.766531      2.427395
  C     -12.206961     -1.022101      3.316623
  O     -12.098534     -2.079405      3.936541
  C     -11.146646      0.028686      3.426169
  C     -11.198069      1.220252      2.697243
  C     -10.190038      2.174071      2.827464
  C      -9.129914      1.935591      3.683549
  F      -8.186698      2.888538      3.794350
  C      -9.030635      0.745994      4.433313
  C      -7.925674      0.423356      5.391349
  O      -8.066441     -0.435415      6.250867
  N      -6.727741      1.098535      5.192224
  C      -6.093118      1.491419      6.253222
  C     -10.064172     -0.191744      4.291536
  H      -5.760169      5.326371     -0.433345
  H      -4.017413      5.494435     -0.785054
  H      -5.008958      4.282971     -1.644658
  H      -7.098193      3.321333     -0.581076
  H      -8.554128      1.393190      0.058827
  H      -3.717816     -1.737010      4.630269
  H      -4.048855      1.792325      2.001346
  H      -7.928728     10.687583     -0.447208
  H      -6.834236     10.198284     -1.737153
  H      -8.561045      9.752816     -1.839860
  H      -5.488192     10.500615      0.168797
  H      -3.711927     10.291814      1.905917
  H      -4.628349      3.715689      3.625208
  H      -7.031289      6.645491      1.333106
  H     -14.097041     -1.617013      2.502510
  H     -13.076823     -0.648948      1.379865
  H     -13.909852      0.161515      2.714641
  H     -12.030989      1.421100      2.022844
  H     -10.220949      3.138230      2.270139
  H      -6.592421      1.495875      7.238590
  H     -10.017681     -1.111640      4.866208
  N      -1.906631      2.022756      3.007182
  H      -1.734935      1.119530      2.554245
  H      -0.990789      2.397517      3.271058
  H      -2.276299      2.661902      2.278848
90
Coordinates from ORCA-job orca E -6670.473609969553
  N      -2.618014      0.035094      5.207729
  Mo     -3.377752      1.884211      4.775725
  N      -4.812450      1.969460      6.228259
  C      -4.355731      2.676169      7.430404
  C      -2.950634      2.212796      7.777519
  N      -2.045798      2.180644      6.565916
  C      -1.091153      1.020545      6.684297
  C      -1.818576     -0.281174      6.364520
  C      -1.259336      3.451873      6.403577
  C      -2.139417      4.552963      5.836517
  N      -3.005046      3.888687      4.877015
  H      -1.092371     -1.078516      6.151331
  H      -2.453208     -0.619436      7.195927
  H      -0.297640      1.178750      5.944387
  H      -0.636750      1.014225      7.687307
  H      -2.741130      5.061783      6.607727
  H      -1.527298      5.324861      5.348036
  H      -0.800763      3.729259      7.365801
  H      -0.453696      3.227526      5.692193
  H      -5.017585      2.466915      8.285714
  H      -4.391589      3.763025      7.257123
  H      -3.007969      1.187312      8.158604
  H      -2.486590      2.841962      8.550981
  C      -4.910534      4.770845     -0.693859
  C      -4.539209      3.786488      0.386183
  O      -3.457373      3.874594      0.981919
  C      -5.502199      2.688045      0.721319
  C      -6.797996      2.561993      0.169495
  C      -7.596968      1.484835      0.508480
  C      -7.121683      0.532140      1.406080
  F      -7.910399     -0.496694      1.698006
  C      -5.857218      0.641259      2.014180
  C      -5.299843     -0.351517      2.971914
  O      -5.671465     -1.524267      3.047436
  N      -4.237240      0.158615      3.762621
  C      -3.525407     -0.670645      4.546448
  C      -5.076152      1.722415      1.629929
  C      -7.691231      9.902950     -1.161360
  C      -7.435480      8.608315     -0.426799
  O      -8.097390      7.577533     -0.674572
  C      -6.361962      8.586663      0.625230
  C      -5.439916      9.621607      0.816419
  C      -4.442119      9.508914      1.783953
  C      -4.356381      8.363570      2.560698
  F      -3.369564      8.314172      3.480060
  C      -5.265347      7.312116      2.411750
  C      -5.262093      6.023964      3.155498
  O      -6.233057      5.267136      3.082154
  N      -4.126933      5.742292      3.921432
  C      -3.929107      4.468256      4.122889
  C      -6.267107      7.466990      1.439228
  C     -13.374846     -0.802223      2.425714
  C     -12.172898     -1.052637      3.310724
  O     -12.048880     -2.093682      3.939669
  C     -11.133269      0.027307      3.400525
  C     -11.204964      1.225430      2.655190
  C     -10.219393      2.191644      2.767355
  C      -9.143193      1.942936      3.636152
  F      -8.230966      2.950327      3.715868
  C      -9.030350      0.759089      4.399399
  C      -7.919973      0.448062      5.359840
  O      -8.060856     -0.442077      6.243947
  N      -6.714925      1.118745      5.167757
  C      -6.086886      1.514068      6.231001
  C     -10.057863     -0.165329      4.258155
  H      -5.835603      5.267551     -0.431740
  H      -4.095916      5.516038     -0.836985
  H      -5.098700      4.252661     -1.658071
  H      -7.184774      3.303903     -0.527909
  H      -8.600960      1.366904      0.092512
  H      -3.723087     -1.756097      4.656232
  H      -4.059200      1.795945      2.014288
  H      -7.870894     10.738634     -0.451674
  H      -6.804509     10.180622     -1.778493
  H      -8.567561      9.770023     -1.819054
  H      -5.493823     10.516177      0.210405
  H      -3.723307     10.295852      1.950640
  H      -4.595833      3.715260      3.608454
  H      -6.992838      6.672412      1.319631
  H     -14.060913     -1.638335      2.514675
  H     -13.068487     -0.693416      1.374437
  H     -13.894580      0.130486      2.708297
  H     -12.043385      1.409948      1.980468
  H     -10.255756      3.103430      2.227091
  H      -6.592121      1.528068      7.209325
  H     -10.002413     -1.096734      4.849377
  N      -1.885313      2.002547      3.017988
  H      -1.717748      1.096622      2.570969
  H      -0.971065      2.372459      3.284986
  H      -2.246928      2.638949      2.287388
90
Coordinates from ORCA-job orca E -6670.479099370741
  N      -2.597704      0.044165      5.182680
  Mo     -3.388536      1.885906      4.771876
  N      -4.823624      1.939168      6.231019
  C      -4.370592      2.640041      7.436454
  C      -2.957580      2.193194      7.774416
  N      -2.054620      2.185798      6.559769
  C      -1.081270      1.039300      6.666297
  C      -1.790944     -0.271422      6.338502
  C      -1.285414      3.472031      6.405279
  C      -2.185048      4.563736      5.849964
  N      -3.042104      3.892562      4.886632
  H      -1.049459     -1.057616      6.117260
  H      -2.422060     -0.628000      7.170527
  H      -0.289510      1.216610      5.925359
  H      -0.624819      1.030138      7.667118
  H      -2.794108      5.057006      6.625088
  H      -1.583988      5.350807      5.366219
  H      -0.828457      3.749303      7.367601
  H      -0.477007      3.267411      5.690239
  H      -5.028284      2.413156      8.291165
  H      -4.420988      3.728568      7.273651
  H      -3.000653      1.161774      8.146943
  H      -2.499931      2.822138      8.552892
  C      -4.875223      4.800994     -0.668438
  C      -4.507652      3.794382      0.386772
  O      -3.423093      3.859252      0.985810
  C      -5.468512      2.700680      0.702317
  C      -6.749563      2.581326      0.140506
  C      -7.561821      1.502171      0.478742
  C      -7.105562      0.541824      1.380670
  F      -7.914242     -0.485337      1.674474
  C      -5.842487      0.645963      1.992220
  C      -5.289046     -0.351272      2.948312
  O      -5.640226     -1.521906      3.021365
  N      -4.229727      0.159927      3.741867
  C      -3.501375     -0.663951      4.520091
  C      -5.054676      1.728115      1.611034
  C      -7.652593      9.902525     -1.195509
  C      -7.396854      8.606163     -0.464674
  O      -8.017696      7.583823     -0.738954
  C      -6.349825      8.581871      0.602264
  C      -5.409586      9.617330      0.777029
  C      -4.418339      9.507543      1.746144
  C      -4.364059      8.364803      2.546024
  F      -3.377509      8.318569      3.464183
  C      -5.297860      7.312864      2.419493
  C      -5.318489      6.027451      3.188956
  O      -6.296511      5.275186      3.118632
  N      -4.181166      5.743153      3.951059
  C      -3.973691      4.469221      4.136266
  C      -6.285165      7.463805      1.438818
  C     -13.419264     -0.786050      2.458490
  C     -12.217238     -1.050155      3.336105
  O     -12.100989     -2.100529      3.953224
  C     -11.162275      0.010611      3.435665
  C     -11.222403      1.212609      2.707354
  C     -10.216826      2.161912      2.834012
  C      -9.144992      1.907581      3.689282
  F      -8.209017      2.878840      3.790173
  C      -9.040520      0.716730      4.434219
  C      -7.930529      0.392816      5.380903
  O      -8.068484     -0.486714      6.236445
  N      -6.730606      1.079105      5.181449
  C      -6.095943      1.469331      6.242770
  C     -10.077465     -0.208194      4.290747
  H      -5.809531      5.319293     -0.404786
  H      -4.064741      5.532187     -0.777905
  H      -5.056742      4.300378     -1.634526
  H      -7.122138      3.328960     -0.560395
  H      -8.557861      1.389138      0.057341
  H      -3.682563     -1.742135      4.620354
  H      -4.046517      1.796999      2.002005
  H      -7.871342     10.716981     -0.495863
  H      -6.764389     10.198601     -1.764609
  H      -8.490142      9.774292     -1.881469
  H      -5.434963     10.509783      0.147314
  H      -3.672656     10.295316      1.894136
  H      -4.630025      3.717918      3.613799
  H      -7.025803      6.667823      1.330715
  H     -14.113387     -1.625562      2.540999
  H     -13.109583     -0.666901      1.408229
  H     -13.933299      0.144783      2.752588
  H     -12.059811      1.412987      2.039676
  H     -10.247754      3.102150      2.293781
  H      -6.595362      1.466081      7.228610
  H     -10.027758     -1.136514      4.865570
  N      -1.903207      2.040202      3.008624
  H      -1.725904      1.140034      2.550491
  H      -0.989730      2.418758      3.275547
  H      -2.275839      2.681394      2.284383
90
Coordinates from ORCA-job orca E -6670.473513392551
  N      -2.601469      0.041303      5.204945
  Mo     -3.386558      1.878533      4.774286
  N      -4.810737      1.959377      6.237898
  C      -4.350113      2.674272      7.433433
  C      -2.939592      2.225566      7.772381
  N      -2.045674      2.197032      6.552986
  C      -1.079688      1.048728      6.673487
  C      -1.795657     -0.259166      6.366681
  C      -1.273149      3.476678      6.375690
  C      -2.168583      4.563863      5.806803
  N      -3.031722      3.885883      4.855618
  H      -1.063286     -1.050316      6.159110
  H      -2.424507     -0.596269      7.203874
  H      -0.292159      1.211168      5.928118
  H      -0.621412      1.050336      7.675855
  H      -2.769802      5.070209      6.576339
  H      -1.567176      5.339804      5.308480
  H      -0.811120      3.765163      7.332947
  H      -0.470667      3.257797      5.659706
  H      -5.003854      2.462014      8.294043
  H      -4.396799      3.760556      7.255053
  H      -2.984375      1.200350      8.160079
  H      -2.474698      2.863203      8.539658
  C      -4.872850      4.718205     -0.674546
  C      -4.531978      3.714668      0.378797
  O      -3.450611      3.773879      0.960333
  C      -5.502482      2.626349      0.722108
  C      -6.798844      2.495139      0.186603
  C      -7.605450      1.415372      0.556083
  C      -7.126345      0.466435      1.459676
  F      -7.919565     -0.559760      1.777836
  C      -5.857477      0.585242      2.051769
  C      -5.299329     -0.392129      3.016714
  O      -5.631850     -1.544804      3.118014
  N      -4.239156      0.134607      3.785064
  C      -3.512802     -0.674890      4.562355
  C      -5.078429      1.667021      1.640121
  C      -7.710816      9.956269     -1.125276
  C      -7.457918      8.652551     -0.420778
  O      -8.141132      7.651129     -0.672869
  C      -6.377074      8.601689      0.619374
  C      -5.462054      9.626585      0.825645
  C      -4.471219      9.495865      1.785083
  C      -4.392155      8.342006      2.542024
  F      -3.421203      8.273184      3.460135
  C      -5.292787      7.300226      2.382825
  C      -5.298401      6.009090      3.130664
  O      -6.252264      5.246177      3.025589
  N      -4.161552      5.733688      3.900198
  C      -3.961328      4.460863      4.097775
  C      -6.280956      7.469828      1.411426
  C     -13.368515     -0.717904      2.341192
  C     -12.186841     -0.996260      3.243426
  O     -12.094400     -2.067992      3.847845
  C     -11.119206      0.053931      3.381311
  C     -11.158115      1.263907      2.670601
  C     -10.141383      2.211818      2.830072
  C      -9.092210      1.960145      3.689081
  F      -8.133401      2.878026      3.840146
  C      -9.009534      0.768256      4.412303
  C      -7.908054      0.422014      5.373787
  O      -8.045350     -0.444672      6.211317
  N      -6.712934      1.098474      5.191356
  C      -6.084077      1.493994      6.253774
  C     -10.046527     -0.177779      4.249839
  H      -5.800681      5.263950     -0.422944
  H      -4.068895      5.432563     -0.776437
  H      -5.046743      4.213895     -1.619339
  H      -7.185962      3.232825     -0.516963
  H      -8.617136      1.294267      0.158920
  H      -3.698585     -1.743436      4.680787
  H      -4.066666      1.746922      2.014554
  H      -7.853538     10.783091     -0.386054
  H      -6.829292     10.233956     -1.766040
  H      -8.613828      9.839666     -1.762656
  H      -5.521494     10.531331      0.236823
  H      -3.756422     10.277104      1.967494
  H      -4.624261      3.709456      3.588080
  H      -7.003682      6.679235      1.276907
  H     -14.075773     -1.568654      2.390117
  H     -13.044221     -0.584842      1.297949
  H     -13.865979      0.205232      2.639422
  H     -11.985415      1.482879      1.989139
  H     -10.160720      3.194110      2.285556
  H      -6.583892      1.503197      7.236388
  H     -10.010689     -1.105681      4.806799
  N      -1.917796      2.000498      2.996287
  H      -1.749834      1.093625      2.549919
  H      -0.999341      2.378053      3.251218
  H      -2.294626      2.633315      2.265683
90
Coordinates from ORCA-job orca E -6670.479535431239
  N      -2.589333      0.045408      5.186755
  Mo     -3.387040      1.882858      4.777630
  N      -4.816370      1.938719      6.237741
  C      -4.362224      2.642370      7.441043
  C      -2.949412      2.197915      7.777124
  N      -2.050895      2.188365      6.560604
  C      -1.077951      1.043798      6.669477
  C      -1.786645     -0.265196      6.346080
  C      -1.284678      3.473547      6.399698
  C      -2.185439      4.561751      5.842316
  N      -3.042167      3.889316      4.881320
  H      -1.047633     -1.051315      6.130665
  H      -2.417966     -0.616045      7.177547
  H      -0.288256      1.218995      5.927748
  H      -0.621813      1.036572      7.670334
  H      -2.793219      5.055045      6.616296
  H      -1.586851      5.347737      5.355909
  H      -0.826637      3.753711      7.359966
  H      -0.478553      3.267598      5.683883
  H      -5.017169      2.416265      8.297520
  H      -4.414736      3.729949      7.275612
  H      -2.990221      1.167889      8.152359
  H      -2.490566      2.828622      8.552489
  C      -4.909905      4.773989     -0.664516
  C      -4.542786      3.769868      0.390327
  O      -3.458199      3.839352      0.982668
  C      -5.496659      2.672259      0.714400
  C      -6.786524      2.542612      0.164002
  C      -7.586164      1.459707      0.509317
  C      -7.109857      0.505775      1.407697
  F      -7.902401     -0.525462      1.706536
  C      -5.846349      0.620831      2.013055
  C      -5.290613     -0.366971      2.973645
  O      -5.639453     -1.534011      3.058455
  N      -4.230422      0.153374      3.757978
  C      -3.500115     -0.665992      4.534020
  C      -5.070077      1.706629      1.623950
  C      -7.667354      9.919490     -1.180281
  C      -7.410838      8.621556     -0.456041
  O      -8.040637      7.606512     -0.729419
  C      -6.352739      8.590277      0.603689
  C      -5.418360      9.624778      0.785318
  C      -4.423289      9.510526      1.750924
  C      -4.360141      8.364535      2.541205
  F      -3.374912      8.313876      3.459293
  C      -5.287524      7.313567      2.408369
  C      -5.308938      6.027326      3.175613
  O      -6.273567      5.269219      3.080496
  N      -4.174225      5.743218      3.942946
  C      -3.970378      4.468541      4.127335
  C      -6.277389      7.468131      1.429875
  C     -13.394504     -0.759248      2.408202
  C     -12.199653     -1.031282      3.296280
  O     -12.091759     -2.090526      3.907441
  C     -11.140350      0.026330      3.412683
  C     -11.193399      1.232687      2.693491
  C     -10.187284      2.188673      2.831835
  C      -9.121713      1.930087      3.691189
  F      -8.178345      2.887519      3.812708
  C      -9.025951      0.739488      4.423548
  C      -7.915590      0.401017      5.376826
  O      -8.047981     -0.480473      6.228534
  N      -6.718769      1.079230      5.186118
  C      -6.088434      1.469369      6.249553
  C     -10.061859     -0.194001      4.270451
  H      -5.844473      5.292966     -0.399735
  H      -4.102745      5.506616     -0.774612
  H      -5.090657      4.270691     -1.628809
  H      -7.175031      3.284850     -0.533497
  H      -8.593781      1.339568      0.099530
  H      -3.683987     -1.742589      4.642054
  H      -4.061231      1.785087      2.009699
  H      -7.864936     10.736473     -0.469255
  H      -6.781789     10.211719     -1.769140
  H      -8.523436      9.794253     -1.853528
  H      -5.454981     10.520744      0.165352
  H      -3.685524     10.297838      1.906913
  H      -4.627444      3.719547      3.604317
  H      -7.016597      6.672564      1.317477
  H     -14.092830     -1.602064      2.475485
  H     -13.082336     -0.632812      1.359316
  H     -13.900199      0.169768      2.706769
  H     -12.027391      1.439886      2.020942
  H     -10.214358      3.143376      2.293853
  H      -6.588258      1.468630      7.233991
  H     -10.017154     -1.124543      4.836640
  N      -1.912070      2.031868      3.005661
  H      -1.739333      1.131599      2.548230
  H      -0.997343      2.408498      3.267335
  H      -2.287782      2.672294      2.283046
90
Coordinates from ORCA-job orca E -6670.480653616234
  N      -2.561506      0.050202      5.202223
  Mo     -3.387613      1.869546      4.768615
  N      -4.815414      1.935794      6.230694
  C      -4.365807      2.662545      7.422172
  C      -2.947435      2.239012      7.761467
  N      -2.051465      2.223193      6.542931
  C      -1.060892      1.095609      6.665607
  C      -1.749927     -0.229496      6.364266
  C      -1.306697      3.517519      6.362081
  C      -2.225420      4.580971      5.787805
  N      -3.065321      3.881801      4.830408
  H      -0.998300     -1.007540      6.158966
  H      -2.373671     -0.577414      7.203866
  H      -0.276019      1.272066      5.918571
  H      -0.601534      1.110051      7.665275
  H      -2.845650      5.073685      6.552804
  H      -1.638535      5.371238      5.293700
  H      -0.853974      3.820732      7.318182
  H      -0.496355      3.314445      5.649414
  H      -5.016264      2.442462      8.283797
  H      -4.430909      3.746718      7.240268
  H      -2.975269      1.214375      8.152065
  H      -2.494816      2.886823      8.526977
  C      -5.052273      4.661661     -0.691746
  C      -4.643224      3.684369      0.372171
  O      -3.555390      3.794578      0.953247
  C      -5.561818      2.562296      0.714828
  C      -6.844577      2.386639      0.165871
  C      -7.615130      1.286003      0.529074
  C      -7.116163      0.360252      1.444775
  F      -7.882713     -0.688734      1.762293
  C      -5.855012      0.520491      2.046063
  C      -5.272361     -0.439396      3.019545
  O      -5.595592     -1.611619      3.126303
  N      -4.213814      0.111556      3.784401
  C      -3.467758     -0.683913      4.571214
  C      -5.108264      1.622931      1.639264
  C      -7.536111     10.127296     -1.152327
  C      -7.285428      8.788261     -0.502290
  O      -7.878417      7.780060     -0.870543
  C      -6.286836      8.710701      0.611111
  C      -5.389590      9.752149      0.908285
  C      -4.444174      9.596791      1.916149
  C      -4.392992      8.401747      2.631574
  F      -3.454963      8.311459      3.594899
  C      -5.284618      7.340831      2.382878
  C      -5.302659      6.006875      3.064569
  O      -6.255028      5.239571      2.906915
  N      -4.199429      5.720437      3.875843
  C      -3.985728      4.446785      4.053699
  C      -6.227516      7.537845      1.366777
  C     -13.384665     -0.766798      2.408048
  C     -12.201265     -1.035131      3.309642
  O     -12.109530     -2.082154      3.941446
  C     -11.134985      0.013933      3.418205
  C     -11.170035      1.207178      2.675968
  C     -10.156958      2.152258      2.806278
  C      -9.100656      1.896970      3.676902
  F      -8.151385      2.849618      3.788999
  C      -9.022024      0.717938      4.433859
  C      -7.924506      0.390485      5.399328
  O      -8.085605     -0.449543      6.285202
  N      -6.716231      1.050360      5.196193
  C      -6.086811      1.464240      6.251174
  C     -10.065845     -0.204444      4.290764
  H      -6.003962      5.150126     -0.429115
  H      -4.273683      5.420437     -0.814547
  H      -5.218866      4.140291     -1.646995
  H      -7.251332      3.106802     -0.544667
  H      -8.613392      1.130457      0.120473
  H      -3.638357     -1.759973      4.701625
  H      -4.102675      1.738218      2.025541
  H      -7.790595     10.889653     -0.402168
  H      -6.630460     10.476444     -1.670766
  H      -8.350172     10.031355     -1.877318
  H      -5.415646     10.686713      0.346240
  H      -3.734818     10.388540      2.161385
  H      -4.619857      3.693563      3.510672
  H      -6.937632      6.735216      1.163746
  H     -14.088250     -1.603038      2.480317
  H     -13.059380     -0.656438      1.361725
  H     -13.889214      0.169637      2.689392
  H     -11.994766      1.410072      1.992386
  H     -10.170035      3.092777      2.253206
  H      -6.589027      1.487540      7.234396
  H     -10.034344     -1.125202      4.873823
  N      -1.922740      2.001187      2.988173
  H      -1.744816      1.094926      2.543784
  H      -1.009273      2.389189      3.240478
  H      -2.306680      2.627422      2.257078
90
Coordinates from ORCA-job orca E -6670.481503273983
  N      -2.529831      0.062447      5.189597
  Mo     -3.404448      1.861435      4.762917
  N      -4.812211      1.914197      6.245076
  C      -4.356878      2.655108      7.426528
  C      -2.925564      2.260395      7.745706
  N      -2.047936      2.255443      6.513302
  C      -1.031441      1.150895      6.625823
  C      -1.694351     -0.191449      6.341919
  C      -1.335276      3.564008      6.313216
  C      -2.284848      4.601208      5.743261
  N      -3.118047      3.880046      4.794707
  H      -0.927109     -0.953481      6.130287
  H      -2.297870     -0.548452      7.193421
  H      -0.262225      1.341029      5.865570
  H      -0.556701      1.180245      7.618537
  H      -2.908793      5.083502      6.512401
  H      -1.721757      5.402953      5.239912
  H      -0.876856      3.885500      7.261098
  H      -0.529532      3.374442      5.590712
  H      -4.989485      2.428064      8.299688
  H      -4.445584      3.736520      7.239772
  H      -2.927408      1.237977      8.142653
  H      -2.474548      2.921528      8.501457
  C      -5.143490      4.550541     -0.724997
  C      -4.686271      3.572110      0.317344
  O      -3.573965      3.679959      0.850501
  C      -5.593782      2.449872      0.694536
  C      -6.879277      2.256934      0.163846
  C      -7.641994      1.158062      0.557313
  C      -7.133468      0.254320      1.489726
  F      -7.897485     -0.788797      1.844191
  C      -5.866150      0.435172      2.073603
  C      -5.267644     -0.499533      3.061838
  O      -5.575217     -1.673320      3.194700
  N      -4.209648      0.078820      3.806234
  C      -3.435497     -0.694167      4.589132
  C      -5.126573      1.532427      1.633620
  C      -7.371323     10.246410     -1.178041
  C      -7.152268      8.889576     -0.550433
  O      -7.707987      7.883395     -0.987796
  C      -6.230749      8.790354      0.626300
  C      -5.378982      9.837112      1.020137
  C      -4.505597      9.664790      2.087520
  C      -4.478381      8.446316      2.762935
  F      -3.610616      8.342246      3.788324
  C      -5.325220      7.377365      2.415582
  C      -5.357290      6.021750      3.050780
  O      -6.262062      5.222862      2.781015
  N      -4.269671      5.718059      3.876642
  C      -4.040695      4.442274      4.013318
  C      -6.198474      7.592337      1.342932
  C     -13.354983     -0.749729      2.377745
  C     -12.191260     -1.021518      3.300460
  O     -12.114850     -2.065885      3.935504
  C     -11.123254      0.021747      3.423882
  C     -11.139856      1.213021      2.676202
  C     -10.125169      2.148074      2.820314
  C      -9.083242      1.886515      3.705350
  F      -8.133757      2.838352      3.827925
  C      -9.023156      0.708013      4.471528
  C      -7.947166      0.386576      5.455235
  O      -8.136997     -0.435369      6.351164
  N      -6.720374      1.014928      5.237748
  C      -6.081621      1.438524      6.282785
  C     -10.069783     -0.203879      4.316236
  H      -6.085390      5.032982     -0.423235
  H      -4.375516      5.313730     -0.877277
  H      -5.345076      4.030455     -1.672238
  H      -7.293513      2.960199     -0.559344
  H      -8.637914      0.988673      0.161425
  H      -3.584809     -1.771565      4.736067
  H      -4.117427      1.664714      2.009166
  H      -7.685416     10.984187     -0.426164
  H      -6.436431     10.618397     -1.621577
  H      -8.130167     10.166046     -1.960977
  H      -5.385546     10.790502      0.490327
  H      -3.833824     10.460959      2.410006
  H      -4.659996      3.698684      3.446460
  H      -6.871724      6.784701      1.061369
  H     -14.059151     -1.584061      2.434643
  H     -13.005979     -0.636998      1.339914
  H     -13.867605      0.186341      2.651066
  H     -11.951215      1.418587      1.979057
  H     -10.124025      3.080653      2.267113
  H      -6.577856      1.478819      7.268659
  H     -10.053159     -1.122950      4.904049
  N      -1.981885      2.003888      2.951595
  H      -1.799597      1.098061      2.507153
  H      -1.068993      2.407428      3.183691
  H      -2.390687      2.620476      2.226485
90
Coordinates from ORCA-job orca E -6670.482463124595
  N      -2.508534      0.051824      5.209780
  Mo     -3.402680      1.834311      4.751313
  N      -4.809945      1.914105      6.231853
  C      -4.356587      2.679482      7.399290
  C      -2.922278      2.300779      7.723114
  N      -2.046609      2.277749      6.489699
  C      -1.020267      1.185290      6.622870
  C      -1.669556     -0.169053      6.367170
  C      -1.346557      3.587630      6.259019
  C      -2.304337      4.601730      5.663213
  N      -3.127211      3.854371      4.724132
  H      -0.894621     -0.927079      6.171316
  H      -2.268869     -0.513932      7.226179
  H      -0.253704      1.367306      5.858071
  H      -0.544433      1.238674      7.614061
  H      -2.935364      5.094379      6.419467
  H      -1.748220      5.398812      5.145371
  H      -0.891613      3.936496      7.198858
  H      -0.538762      3.388778      5.541380
  H      -4.985874      2.465263      8.277948
  H      -4.453325      3.756205      7.191689
  H      -2.916030      1.286508      8.140602
  H      -2.475166      2.979731      8.465110
  C      -5.208766      4.499673     -0.636144
  C      -4.729908      3.510083      0.385195
  O      -3.626772      3.636780      0.931501
  C      -5.613312      2.358818      0.736522
  C      -6.882790      2.134326      0.181925
  C      -7.628087      1.019474      0.565452
  C      -7.118254      0.132209      1.512426
  F      -7.870449     -0.920126      1.865805
  C      -5.862472      0.339494      2.112048
  C      -5.257642     -0.576299      3.113576
  O      -5.557625     -1.749008      3.269575
  N      -4.199711      0.024479      3.840700
  C      -3.416288     -0.724047      4.638618
  C      -5.140106      1.451551      1.681413
  C      -7.352129     10.381809     -1.120139
  C      -7.133091      9.005382     -0.537275
  O      -7.674914      8.010819     -1.019473
  C      -6.218355      8.869704      0.641329
  C      -5.395608      9.914562      1.094563
  C      -4.537595      9.713531      2.169527
  C      -4.493494      8.467301      2.791023
  F      -3.647655      8.342656      3.832198
  C      -5.305448      7.394675      2.376436
  C      -5.322246      6.010958      2.946565
  O      -6.214958      5.214221      2.631042
  N      -4.256212      5.693814      3.795283
  C      -4.033037      4.414853      3.917655
  C      -6.166707      7.640817      1.300838
  C     -13.352841     -0.728995      2.357227
  C     -12.205167     -0.991446      3.302286
  O     -12.150953     -2.020174      3.965144
  C     -11.121775      0.038081      3.407880
  C     -11.112075      1.208890      2.628552
  C     -10.083211      2.130319      2.758360
  C      -9.054170      1.875845      3.659429
  F      -8.090744      2.815603      3.765413
  C      -9.021469      0.717865      4.459896
  C      -7.964478      0.413320      5.468691
  O      -8.183683     -0.368465      6.392514
  N      -6.719775      1.003849      5.236830
  C      -6.084556      1.451785      6.273515
  C     -10.081396     -0.180483      4.317897
  H      -6.169019      4.941442     -0.332935
  H      -4.466334      5.293242     -0.760401
  H      -5.381582      3.996814     -1.598727
  H      -7.299390      2.827332     -0.549340
  H      -8.614438      0.827019      0.153077
  H      -3.560763     -1.797662      4.816749
  H      -4.142113      1.610803      2.075298
  H      -7.678754     11.091253     -0.345839
  H      -6.413462     10.774199     -1.540161
  H      -8.101579     10.324688     -1.915166
  H      -5.416727     10.890734      0.609316
  H      -3.892541     10.509751      2.541540
  H      -4.638681      3.680831      3.331605
  H      -6.818961      6.834100      0.972337
  H     -14.067303     -1.554334      2.423672
  H     -12.987082     -0.643908      1.322500
  H     -13.860005      0.217828      2.601266
  H     -11.913745      1.408665      1.918360
  H     -10.061311      3.048884      2.178671
  H      -6.586935      1.523471      7.254546
  H     -10.087070     -1.081997      4.932355
  N      -1.990496      1.939274      2.929625
  H      -1.807854      1.024742      2.504021
  H      -1.077970      2.349293      3.150215
  H      -2.402263      2.538764      2.191961
90
Coordinates from ORCA-job orca E -6670.483175983241
  N      -2.450336      0.051958      5.235593
  Mo     -3.376296      1.813982      4.755050
  N      -4.797927      1.891934      6.219145
  C      -4.365969      2.671631      7.386399
  C      -2.928658      2.319692      7.724169
  N      -2.042891      2.300472      6.498767
  C      -0.998594      1.228305      6.652165
  C      -1.619398     -0.140136      6.404331
  C      -1.364420      3.619437      6.256052
  C      -2.332044      4.607526      5.634150
  N      -3.130748      3.836070      4.691217
  H      -0.828796     -0.884606      6.224825
  H      -2.220686     -0.486632      7.260002
  H      -0.228151      1.416608      5.893201
  H      -0.532946      1.299827      7.646600
  H      -2.980275      5.098881      6.375566
  H      -1.785396      5.408734      5.113489
  H      -0.925158      3.990687      7.194412
  H      -0.546476      3.424305      5.549785
  H      -4.998559      2.453573      8.261452
  H      -4.479123      3.744899      7.169547
  H      -2.908335      1.309230      8.151100
  H      -2.499427      3.012012      8.463564
  C      -5.315610      4.377107     -0.675171
  C      -4.778251      3.380281      0.309076
  O      -3.638819      3.492212      0.776822
  C      -5.645003      2.233686      0.717740
  C      -6.933445      1.993182      0.214295
  C      -7.657782      0.885080      0.647291
  C      -7.109967      0.024317      1.596461
  F      -7.845502     -1.017894      2.002293
  C      -5.835985      0.247921      2.148605
  C      -5.196063     -0.646893      3.149519
  O      -5.492162     -1.815675      3.339714
  N      -4.143399     -0.020156      3.866044
  C      -3.349996     -0.744260      4.677886
  C      -5.134409      1.350064      1.665869
  C      -7.364210     10.454942     -1.068291
  C      -7.118146      9.069048     -0.523346
  O      -7.632499      8.078937     -1.040010
  C      -6.217810      8.920267      0.664680
  C      -5.448061      9.976967      1.178882
  C      -4.608300      9.766631      2.267435
  C      -4.529276      8.500110      2.843465
  F      -3.709771      8.373932      3.905738
  C      -5.284579      7.412242      2.362222
  C      -5.267433      6.005206      2.869399
  O      -6.154328      5.214543      2.528188
  N      -4.230773      5.682955      3.751943
  C      -4.014350      4.399685      3.858492
  C      -6.128359      7.668704      1.274489
  C     -13.367194     -0.615054      2.311750
  C     -12.217231     -0.910462      3.246410
  O     -12.176726     -1.951440      3.893723
  C     -11.116650      0.101761      3.363660
  C     -11.093372      1.286791      2.607720
  C     -10.047138      2.191596      2.749155
  C      -9.017281      1.905134      3.639372
  F      -8.036665      2.825804      3.758097
  C      -8.999313      0.732623      4.417154
  C      -7.942919      0.396947      5.421640
  O      -8.180540     -0.363589      6.358508
  N      -6.690273      0.974539      5.197829
  C      -6.075014      1.432916      6.241952
  C     -10.075549     -0.147458      4.263660
  H      -6.250831      4.821891     -0.306218
  H      -4.578289      5.169406     -0.844404
  H      -5.552353      3.878471     -1.629082
  H      -7.377821      2.665913     -0.518894
  H      -8.661621      0.677355      0.272218
  H      -3.483837     -1.815819      4.877814
  H      -4.124566      1.521714      2.017026
  H      -7.718749     11.132598     -0.277101
  H      -6.428846     10.883002     -1.464178
  H      -8.102414     10.402102     -1.876000
  H      -5.497587     10.969984      0.731971
  H      -4.006434     10.572763      2.687905
  H      -4.596556      3.680264      3.243571
  H      -6.738230      6.849163      0.893858
  H     -14.093238     -1.433377      2.365428
  H     -13.005629     -0.513427      1.276593
  H     -13.861088      0.331874      2.576909
  H     -11.897608      1.512359      1.906853
  H     -10.013573      3.126020      2.182944
  H      -6.594182      1.510888      7.213662
  H     -10.093868     -1.058610      4.862688
  N      -1.950417      1.913507      2.942571
  H      -1.753621      0.997206      2.528458
  H      -1.045438      2.334314      3.169590
  H      -2.359279      2.501881      2.192745
90
Coordinates from ORCA-job orca E -6670.483966578099
  N      -2.435127      0.063299      5.207216
  Mo     -3.396958      1.814452      4.752541
  N      -4.805369      1.866142      6.228340
  C      -4.372825      2.641246      7.398987
  C      -2.927941      2.307234      7.719466
  N      -2.054861      2.311312      6.485941
  C      -0.991944      1.254935      6.621563
  C      -1.592058     -0.122193      6.368811
  C      -1.402326      3.643321      6.244685
  C      -2.391492      4.616809      5.633541
  N      -3.180882      3.838956      4.686103
  H      -0.790350     -0.851688      6.177966
  H      -2.180731     -0.484749      7.226405
  H      -0.231412      1.461384      5.857447
  H      -0.518145      1.326551      7.612161
  H      -3.045217      5.091634      6.380882
  H      -1.863212      5.432175      5.116228
  H      -0.962933      4.018400      7.181447
  H      -0.586202      3.465827      5.531850
  H      -4.993514      2.405957      8.278053
  H      -4.503656      3.714774      7.192748
  H      -2.888200      1.293856      8.138201
  H      -2.501778      2.999841      8.460301
  C      -5.297579      4.372127     -0.673452
  C      -4.763704      3.374295      0.311314
  O      -3.636070      3.500163      0.803419
  C      -5.621690      2.211909      0.695333
  C      -6.891553      1.949043      0.154869
  C      -7.609181      0.830713      0.569299
  C      -7.075149     -0.017810      1.537150
  F      -7.806193     -1.068310      1.925790
  C      -5.820670      0.225026      2.124044
  C      -5.195663     -0.658416      3.144679
  O      -5.468189     -1.835555      3.317934
  N      -4.146013     -0.024725      3.859336
  C      -3.335998     -0.741022      4.661054
  C      -5.123205      1.336916      1.658421
  C      -7.237063     10.506447     -1.121511
  C      -7.021198      9.118042     -0.571078
  O      -7.534834      8.135477     -1.100618
  C      -6.169404      8.960490      0.651379
  C      -5.426707     10.015307      1.208146
  C      -4.631052      9.797048      2.327871
  C      -4.571733      8.525946      2.895750
  F      -3.794201      8.391046      3.988340
  C      -5.303426      7.440921      2.375544
  C      -5.300952      6.031002      2.874594
  O      -6.173559      5.241402      2.497379
  N      -4.276517      5.697860      3.768574
  C      -4.059572      4.411743      3.852505
  C      -6.099650      7.703471      1.253137
  C     -13.411194     -0.643080      2.393526
  C     -12.250401     -0.936670      3.316138
  O     -12.207072     -1.972297      3.972159
  C     -11.146939      0.075002      3.417057
  C     -11.129437      1.256626      2.655991
  C     -10.078994      2.160753      2.781693
  C      -9.040597      1.876832      3.663173
  F      -8.054499      2.794410      3.765563
  C      -9.018679      0.709676      4.446863
  C      -7.954790      0.377159      5.446525
  O      -8.184860     -0.379512      6.388465
  N      -6.702161      0.950356      5.211580
  C      -6.083058      1.407461      6.253854
  C     -10.097991     -0.169983      4.307706
  H      -6.248650      4.793439     -0.317152
  H      -4.572146      5.180401     -0.817288
  H      -5.502927      3.881372     -1.638953
  H      -7.326073      2.612688     -0.592562
  H      -8.598816      0.605902      0.166397
  H      -3.456665     -1.814031      4.862137
  H      -4.125728      1.525318      2.036018
  H      -7.613238     11.186415     -0.342046
  H      -6.284695     10.926772     -1.484178
  H      -7.947685     10.460421     -1.954132
  H      -5.460203     11.011934      0.767949
  H      -4.048770     10.600493      2.779296
  H      -4.627676      3.705609      3.214812
  H      -6.683828      6.883423      0.834805
  H     -14.137857     -1.460120      2.458639
  H     -13.062388     -0.545327      1.353626
  H     -13.900275      0.305347      2.661357
  H     -11.940772      1.480231      1.962529
  H     -10.048470      3.091103      2.209880
  H      -6.596886      1.478826      7.228621
  H     -10.112588     -1.078164      4.911470
  N      -1.991479      1.939930      2.924754
  H      -1.786852      1.028027      2.504688
  H      -1.089770      2.370742      3.146430
  H      -2.413879      2.525568      2.180393
90
Coordinates from ORCA-job orca E -6670.484317021965
  N      -2.420504      0.068486      5.181069
  Mo     -3.417591      1.810715      4.759604
  N      -4.792114      1.852551      6.262727
  C      -4.341011      2.623921      7.429609
  C      -2.885889      2.303115      7.714043
  N      -2.042178      2.321702      6.460971
  C      -0.962989      1.277810      6.568502
  C      -1.550521     -0.107266      6.325103
  C      -1.413919      3.662306      6.205141
  C      -2.427806      4.620414      5.610403
  N      -3.222714      3.834950      4.670595
  H      -0.742556     -0.825526      6.115383
  H      -2.116274     -0.479891      7.194395
  H      -0.222513      1.496196      5.787924
  H      -0.466901      1.352585      7.548017
  H      -3.076662      5.085734      6.368310
  H      -1.921100      5.445138      5.086127
  H      -0.961956      4.045960      7.132479
  H      -0.608863      3.494398      5.477281
  H      -4.939547      2.375728      8.320506
  H      -4.486903      3.697663      7.233652
  H      -2.825643      1.288584      8.127680
  H      -2.449951      2.997085      8.448241
  C      -5.460944      4.361992     -0.606668
  C      -4.908770      3.377838      0.381517
  O      -3.780004      3.522892      0.867679
  C      -5.747081      2.205521      0.777024
  C      -7.019994      1.924779      0.251502
  C      -7.715846      0.795410      0.673554
  C      -7.155459     -0.049733      1.630544
  F      -7.861424     -1.118210      2.018056
  C      -5.896052      0.208565      2.200163
  C      -5.241151     -0.672709      3.203508
  O      -5.498980     -1.852533      3.378897
  N      -4.174587     -0.034095      3.886493
  C      -3.337590     -0.741070      4.667905
  C      -5.223425      1.334999      1.731696
  C      -7.076252     10.564193     -1.175967
  C      -6.925653      9.176250     -0.602346
  O      -7.458351      8.208072     -1.133019
  C      -6.101095      9.002504      0.636343
  C      -5.351689     10.046291      1.208938
  C      -4.584020      9.815607      2.345156
  C      -4.560333      8.543722      2.915044
  F      -3.806804      8.392457      4.022764
  C      -5.301148      7.471294      2.383156
  C      -5.335815      6.066101      2.896843
  O      -6.196518      5.280714      2.485506
  N      -4.307802      5.713748      3.782497
  C      -4.099739      4.423418      3.843368
  C      -6.066316      7.743864      1.241176
  C     -13.302907     -0.737127      2.276825
  C     -12.163756     -1.002311      3.234218
  O     -12.112559     -2.037636      3.889126
  C     -11.088684      0.035504      3.367923
  C     -11.077710      1.217956      2.608822
  C     -10.054048      2.148292      2.765990
  C      -9.036237      1.889728      3.678776
  F      -8.073619      2.828795      3.810225
  C      -9.009088      0.723070      4.460389
  C      -7.965989      0.411923      5.488493
  O      -8.194434     -0.373700      6.405419
  N      -6.705046      0.967975      5.254826
  C      -6.075778      1.409622      6.297949
  C     -10.060755     -0.184008      4.288621
  H      -6.419089      4.767261     -0.247237
  H      -4.750101      5.180751     -0.753136
  H      -5.656932      3.866690     -1.570696
  H      -7.473851      2.582645     -0.490215
  H      -8.704280      0.556432      0.282770
  H      -3.449594     -1.811950      4.882379
  H      -4.222915      1.536918      2.095254
  H      -7.449033     11.267333     -0.417944
  H      -6.101614     10.944448     -1.515888
  H      -7.764338     10.532914     -2.025641
  H      -5.356174     11.043518      0.766507
  H      -3.995422     10.609563      2.807605
  H      -4.669247      3.734430      3.192194
  H      -6.654227      6.932240      0.810570
  H     -14.007946     -1.573918      2.316464
  H     -12.926137     -0.624291      1.248339
  H     -13.825554      0.196591      2.534163
  H     -11.873282      1.422248      1.892279
  H     -10.029243      3.077111      2.197201
  H      -6.581636      1.480514      7.276771
  H     -10.070071     -1.094111      4.889362
  N      -2.055623      1.940155      2.896876
  H      -1.854830      1.027774      2.475031
  H      -1.150982      2.375677      3.099844
  H      -2.495167      2.519818      2.158326
90
Coordinates from ORCA-job orca E -6670.485099063651
  N      -2.387928      0.079351      5.169871
  Mo     -3.422089      1.804656      4.761581
  N      -4.793277      1.822356      6.265947
  C      -4.352947      2.593360      7.437702
  C      -2.891491      2.297457      7.715110
  N      -2.053083      2.338641      6.459407
  C      -0.952970      1.315871      6.558967
  C      -1.512926     -0.080695      6.312954
  C      -1.455193      3.692996      6.204904
  C      -2.489179      4.628584      5.608876
  N      -3.263219      3.830455      4.659686
  H      -0.690406     -0.781425      6.100474
  H      -2.069480     -0.466864      7.182206
  H      -0.219916      1.551946      5.776636
  H      -0.454813      1.397161      7.537056
  H      -3.151569      5.076503      6.365469
  H      -2.000009      5.467045      5.089934
  H      -1.012925      4.086563      7.132880
  H      -0.645636      3.543565      5.477788
  H      -4.944060      2.327134      8.328312
  H      -4.519143      3.665486      7.250233
  H      -2.811121      1.282064      8.122909
  H      -2.466044      2.995096      8.452134
  C      -5.433174      4.300464     -0.648719
  C      -4.874036      3.315030      0.334173
  O      -3.737470      3.453330      0.803721
  C      -5.715665      2.151156      0.747609
  C      -6.991037      1.866852      0.229587
  C      -7.685812      0.740878      0.663484
  C      -7.122308     -0.096894      1.625528
  F      -7.826906     -1.162731      2.023807
  C      -5.861855      0.167859      2.190258
  C      -5.201707     -0.704083      3.197862
  O      -5.463589     -1.880245      3.391315
  N      -4.147084     -0.051273      3.885306
  C      -3.299458     -0.743288      4.666650
  C      -5.190803      1.290429      1.709876
  C      -7.019392     10.611900     -1.186004
  C      -6.893461      9.218936     -0.617129
  O      -7.408007      8.254890     -1.175195
  C      -6.093089      9.031497      0.635896
  C      -5.368855     10.072407      1.243968
  C      -4.628951      9.830860      2.395979
  C      -4.605288      8.549918      2.944068
  F      -3.883073      8.387980      4.070869
  C      -5.319978      7.479488      2.375325
  C      -5.356135      6.066891      2.868144
  O      -6.221457      5.290468      2.449620
  N      -4.343556      5.708211      3.769993
  C      -4.129729      4.418114      3.819611
  C      -6.059501      7.763562      1.219697
  C     -13.341449     -0.679516      2.311766
  C     -12.193137     -0.972473      3.249408
  O     -12.134746     -2.026396      3.872649
  C     -11.110750      0.056193      3.393133
  C     -11.105008      1.257879      2.663972
  C     -10.075266      2.178910      2.829031
  C      -9.045011      1.891181      3.718937
  F      -8.075774      2.821991      3.860579
  C      -9.011881      0.705029      4.470160
  C      -7.955804      0.363909      5.474267
  O      -8.182610     -0.421162      6.392363
  N      -6.699048      0.934249      5.247115
  C      -6.075338      1.373507      6.294666
  C     -10.070500     -0.191952      4.292500
  H      -6.380707      4.715203     -0.274140
  H      -4.717471      5.112349     -0.809236
  H      -5.648196      3.804724     -1.607922
  H      -7.446428      2.517449     -0.517500
  H      -8.674659      0.498408      0.277627
  H      -3.397019     -1.814774      4.886517
  H      -4.189595      1.496979      2.069985
  H      -7.413568     11.311916     -0.435015
  H      -6.032273     10.990814     -1.492559
  H      -7.681197     10.588747     -2.057169
  H      -5.374599     11.076840      0.819378
  H      -4.063395     10.622907      2.887928
  H      -4.679127      3.733463      3.148114
  H      -6.627848      6.954604      0.761122
  H     -14.046420     -1.516577      2.334674
  H     -12.975964     -0.536818      1.283054
  H     -13.860452      0.246727      2.602055
  H     -11.910114      1.484457      1.965006
  H     -10.054376      3.121399      2.284273
  H      -6.583879      1.435694      7.272441
  H     -10.075913     -1.117114      4.870416
  N      -2.065496      1.953583      2.894807
  H      -1.849350      1.043531      2.475499
  H      -1.168230      2.404110      3.097563
  H      -2.513445      2.523197      2.154074
90
Coordinates from ORCA-job orca E -6670.485611211408
  N      -2.356583      0.089477      5.158692
  Mo     -3.419981      1.804745      4.775713
  N      -4.785421      1.796917      6.282466
  C      -4.352550      2.556700      7.464616
  C      -2.886148      2.277522      7.731207
  N      -2.055325      2.345621      6.472241
  C      -0.939089      1.338482      6.556185
  C      -1.477825     -0.065113      6.300119
  C      -1.482885      3.712259      6.225651
  C      -2.532632      4.632012      5.632573
  N      -3.288025      3.830444      4.668074
  H      -0.644338     -0.750348      6.081158
  H      -2.026333     -0.466698      7.167078
  H      -0.214405      1.593744      5.772373
  H      -0.437178      1.418397      7.532359
  H      -3.207060      5.059902      6.389687
  H      -2.057759      5.485089      5.124552
  H      -1.049540      4.109612      7.156131
  H      -0.669618      3.581874      5.499106
  H      -4.936169      2.267244      8.352819
  H      -4.534796      3.628889      7.294686
  H      -2.789901      1.258338      8.125750
  H      -2.466811      2.971380      8.475107
  C      -5.498155      4.254496     -0.692074
  C      -4.922337      3.286483      0.298811
  O      -3.781489      3.439890      0.753162
  C      -5.747775      2.119845      0.734932
  C      -7.025182      1.816534      0.232371
  C      -7.699940      0.683811      0.678677
  C      -7.114357     -0.142408      1.637450
  F      -7.799037     -1.217351      2.044638
  C      -5.854505      0.144474      2.192784
  C      -5.177083     -0.715159      3.200857
  O      -5.422664     -1.895040      3.393940
  N      -4.125757     -0.052758      3.885779
  C      -3.267314     -0.737972      4.659728
  C      -5.203355      1.272846      1.698874
  C      -6.986130     10.624357     -1.200652
  C      -6.847621      9.228671     -0.640552
  O      -7.374662      8.266878     -1.191585
  C      -6.065831      9.043259      0.624691
  C      -5.361587     10.087584      1.249675
  C      -4.641407      9.848539      2.414817
  C      -4.616676      8.565623      2.957841
  F      -3.917803      8.405725      4.099702
  C      -5.310737      7.491263      2.370316
  C      -5.350073      6.076540      2.857315
  O      -6.221723      5.307838      2.440369
  N      -4.351899      5.713582      3.772998
  C      -4.138965      4.423765      3.816122
  C      -6.033119      7.773829      1.204061
  C     -13.346269     -0.627925      2.305070
  C     -12.189751     -0.946621      3.224155
  O     -12.137403     -2.008022      3.835397
  C     -11.104226      0.076711      3.384390
  C     -11.097376      1.291994      2.677491
  C     -10.064713      2.207438      2.854819
  C      -9.032301      1.899709      3.735806
  F      -8.058716      2.823469      3.892015
  C      -9.000155      0.700607      4.465231
  C      -7.939900      0.337660      5.457297
  O      -8.165166     -0.456881      6.368036
  N      -6.686906      0.922107      5.244992
  C      -6.068354      1.348418      6.300492
  C     -10.061912     -0.190614      4.275885
  H      -6.440891      4.672564     -0.310086
  H      -4.786484      5.066299     -0.874178
  H      -5.724219      3.744285     -1.641640
  H      -7.496861      2.456349     -0.513648
  H      -8.690512      0.425737      0.303644
  H      -3.356516     -1.810449      4.880314
  H      -4.203106      1.495009      2.049534
  H      -7.389328     11.316514     -0.446311
  H      -6.001501     11.014840     -1.502804
  H      -7.647187     10.599585     -2.073212
  H      -5.370040     11.093608      0.829769
  H      -4.094143     10.643951      2.921484
  H      -4.672477      3.745220      3.126940
  H      -6.589466      6.962810      0.733397
  H     -14.056348     -1.461249      2.318817
  H     -12.992085     -0.466144      1.275268
  H     -13.855584      0.295487      2.620377
  H     -11.904127      1.533738      1.985111
  H     -10.042848      3.161536      2.326185
  H      -6.579989      1.396708      7.277315
  H     -10.068291     -1.126326      4.836573
  N      -2.058975      1.974094      2.910870
  H      -1.829937      1.066691      2.493115
  H      -1.168145      2.433260      3.120350
  H      -2.507084      2.539280      2.166222
90
Coordinates from ORCA-job orca E -6670.486091096254
  N      -2.333377      0.100857      5.137553
  Mo     -3.431934      1.803605      4.788619
  N      -4.774497      1.773705      6.312019
  C      -4.336265      2.522850      7.499447
  C      -2.861502      2.263429      7.738356
  N      -2.053515      2.357362      6.466554
  C      -0.919173      1.368052      6.523849
  C      -1.437985     -0.043609      6.267949
  C      -1.511966      3.736056      6.218315
  C      -2.585293      4.635922      5.637432
  N      -3.330543      3.828282      4.666823
  H      -0.595250     -0.712898      6.035294
  H      -1.968000     -0.458433      7.140125
  H      -0.213332      1.641261      5.729117
  H      -0.401679      1.450027      7.491726
  H      -3.264327      5.043489      6.401456
  H      -2.131960      5.503236      5.133940
  H      -1.078430      4.140644      7.145582
  H      -0.702989      3.624282      5.483887
  H      -4.901429      2.209511      8.391430
  H      -4.537949      3.594390      7.349440
  H      -2.743354      1.241598      8.119564
  H      -2.440297      2.955140      8.483247
  C      -5.562067      4.208426     -0.698923
  C      -4.973113      3.250123      0.293968
  O      -3.827993      3.411598      0.734967
  C      -5.789283      2.084505      0.748125
  C      -7.070304      1.771063      0.260701
  C      -7.733483      0.636031      0.719019
  C      -7.132754     -0.183135      1.674531
  F      -7.805007     -1.262916      2.090391
  C      -5.870645      0.116701      2.218112
  C      -5.179255     -0.731249      3.225835
  O      -5.410930     -1.913210      3.423565
  N      -4.125917     -0.057837      3.896695
  C      -3.248454     -0.733126      4.656397
  C      -5.231307      1.246530      1.712067
  C      -6.902409     10.658960     -1.226662
  C      -6.795503      9.261864     -0.662106
  O      -7.309414      8.304033     -1.232611
  C      -6.039242      9.066356      0.617174
  C      -5.348330     10.105721      1.264668
  C      -4.654390      9.858659      2.443957
  C      -4.642080      8.571676      2.977241
  F      -3.968979      8.400922      4.133089
  C      -5.322871      7.502099      2.366740
  C      -5.373881      6.084870      2.846536
  O      -6.252179      5.325256      2.428148
  N      -4.385580      5.714022      3.769454
  C      -4.173141      4.424744      3.807983
  C      -6.020146      7.792524      1.187574
  C     -13.309430     -0.613560      2.259444
  C     -12.160440     -0.939014      3.185329
  O     -12.103652     -2.011835      3.775629
  C     -11.081664      0.087335      3.369822
  C     -11.075876      1.313249      2.681021
  C     -10.050425      2.231854      2.879348
  C      -9.023384      1.916320      3.763965
  F      -8.055503      2.841979      3.941447
  C      -8.990240      0.706947      4.476271
  C      -7.935305      0.334347      5.469805
  O      -8.158789     -0.482468      6.360914
  N      -6.681842      0.921997      5.270003
  C      -6.059269      1.328806      6.330114
  C     -10.044871     -0.187883      4.265618
  H      -6.498532      4.631856     -0.307240
  H      -4.851587      5.017193     -0.898197
  H      -5.801942      3.690181     -1.640432
  H      -7.554219      2.404835     -0.482700
  H      -8.726172      0.370444      0.355470
  H      -3.326504     -1.805493      4.882608
  H      -4.230265      1.477627      2.055146
  H      -7.325408     11.354698     -0.486480
  H      -5.905028     11.041438     -1.495486
  H      -7.535022     10.639428     -2.120262
  H      -5.347854     11.114731      0.852075
  H      -4.119248     10.650344      2.968751
  H      -4.696241      3.749621      3.108358
  H      -6.567550      6.985842      0.699693
  H     -14.011670     -1.453438      2.249497
  H     -12.946825     -0.428001      1.236661
  H     -13.829933      0.298982      2.588011
  H     -11.878148      1.560849      1.985517
  H     -10.029780      3.193347      2.365093
  H      -6.567190      1.365862      7.309311
  H     -10.050557     -1.132051      4.811911
  N      -2.094175      1.988077      2.905387
  H      -1.858885      1.081864      2.488503
  H      -1.206482      2.456823      3.106971
  H      -2.553234      2.545985      2.162614
90
Coordinates from ORCA-job orca E -6670.486549629426
  N      -2.298125      0.121711      5.102858
  Mo     -3.441627      1.806934      4.801775
  N      -4.759189      1.734079      6.341608
  C      -4.321717      2.462829      7.542263
  C      -2.836700      2.234131      7.749530
  N      -2.054336      2.369805      6.465462
  C      -0.896053      1.406106      6.487056
  C      -1.385663     -0.014374      6.220967
  C      -1.553800      3.765311      6.226275
  C      -2.656712      4.640840      5.665757
  N      -3.385203      3.830806      4.681781
  H      -0.529674     -0.660118      5.970184
  H      -1.893839     -0.451661      7.095287
  H      -0.213036      1.707927      5.682864
  H      -0.362535      1.486542      7.446395
  H      -3.342868      5.014408      6.440582
  H      -2.231875      5.529901      5.175424
  H      -1.123524      4.173870      7.153330
  H      -0.749056      3.683517      5.483230
  H      -4.864158      2.110072      8.433642
  H      -4.552692      3.532532      7.425847
  H      -2.688735      1.207945      8.107334
  H      -2.417564      2.920219      8.500835
  C      -5.658445      4.199288     -0.673796
  C      -5.050360      3.253144      0.319768
  O      -3.908816      3.439065      0.760690
  C      -5.843904      2.074276      0.777449
  C      -7.126030      1.743688      0.304158
  C      -7.767504      0.596727      0.765301
  C      -7.143356     -0.219180      1.708367
  F      -7.792827     -1.313481      2.124148
  C      -5.878823      0.097645      2.236902
  C      -5.160570     -0.743979      3.229291
  O      -5.376644     -1.928216      3.431439
  N      -4.111231     -0.055002      3.890507
  C      -3.211124     -0.719887      4.632542
  C      -5.262514      1.239824      1.730146
  C      -6.785064     10.651768     -1.293257
  C      -6.715185      9.258395     -0.713311
  O      -7.212342      8.299942     -1.298099
  C      -6.001274      9.063997      0.590106
  C      -5.323840     10.101769      1.253569
  C      -4.669018      9.856796      2.455539
  C      -4.682291      8.572136      2.993885
  F      -4.046408      8.399400      4.170499
  C      -5.351213      7.504632      2.367867
  C      -5.425991      6.091221      2.857111
  O      -6.296095      5.332084      2.421965
  N      -4.443979      5.714126      3.782978
  C      -4.222857      4.427762      3.816666
  C      -6.010355      7.792498      1.166813
  C     -13.286036     -0.567093      2.226603
  C     -12.137032     -0.917311      3.143059
  O     -12.077572     -2.007177      3.700701
  C     -11.057721      0.103074      3.354116
  C     -11.051630      1.346419      2.696940
  C     -10.026169      2.259140      2.917156
  C      -8.999140      1.920518      3.793126
  F      -8.029851      2.839614      3.992380
  C      -8.966229      0.693367      4.475474
  C      -7.910750      0.294367      5.457179
  O      -8.131987     -0.545877      6.326434
  N      -6.662768      0.900564      5.283523
  C      -6.041878      1.280898      6.353330
  C     -10.020725     -0.195966      4.242620
  H      -6.598358      4.612425     -0.278659
  H      -4.959471      5.016138     -0.879154
  H      -5.897943      3.675286     -1.611627
  H      -7.630043      2.375774     -0.427414
  H      -8.760811      0.319914      0.413854
  H      -3.272014     -1.793719      4.857566
  H      -4.261965      1.483824      2.066778
  H      -7.236181     11.356284     -0.578517
  H      -5.774315     11.025395     -1.520015
  H      -7.378281     10.629583     -2.213215
  H      -5.303274     11.108535      0.835839
  H      -4.145729     10.647720      2.993046
  H      -4.732562      3.751189      3.108084
  H      -6.549985      6.988123      0.667323
  H     -13.986326     -1.407698      2.191728
  H     -12.924878     -0.349726      1.209668
  H     -13.807602      0.334250      2.583434
  H     -11.853588      1.612062      2.007889
  H     -10.005142      3.232044      2.427477
  H      -6.547578      1.290699      7.334389
  H     -10.026643     -1.153869      4.764201
  N      -2.128473      2.027002      2.901132
  H      -1.881583      1.125372      2.480988
  H      -1.246977      2.509757      3.097833
  H      -2.600894      2.578413      2.163069
90
Coordinates from ORCA-job orca E -6670.487001720570
  N      -2.272140      0.143893      5.069669
  Mo     -3.455463      1.812559      4.818434
  N      -4.741581      1.700053      6.379618
  C      -4.297991      2.404802      7.592307
  C      -2.803455      2.206655      7.761797
  N      -2.053045      2.382042      6.463388
  C      -0.874036      1.442873      6.445340
  C      -1.338502      0.015377      6.171205
  C      -1.591965      3.792467      6.231821
  C      -2.724487      4.645032      5.697192
  N      -3.440614      3.834519      4.703442
  H      -0.472563     -0.608236      5.899212
  H      -1.821277     -0.442653      7.049386
  H      -0.217183      1.770511      5.629495
  H      -0.320641      1.521657      7.393478
  H      -3.412913      4.982960      6.486003
  H      -2.329645      5.554878      5.219993
  H      -1.160430      4.204215      7.156863
  H      -0.795861      3.738958      5.477000
  H      -4.813014      2.012154      8.483339
  H      -4.558260      3.471240      7.513491
  H      -2.625747      1.177021      8.094832
  H      -2.381869      2.886734      8.517088
  C      -5.744826      4.172998     -0.668363
  C      -5.120473      3.240597      0.328462
  O      -3.979464      3.443720      0.762777
  C      -5.896166      2.053848      0.794941
  C      -7.180549      1.709660      0.337982
  C      -7.806297      0.557892      0.809576
  C      -7.163716     -0.250280      1.746362
  F      -7.798137     -1.349141      2.173823
  C      -5.894992      0.079544      2.256717
  C      -5.154721     -0.752615      3.239635
  O      -5.356130     -1.938180      3.449256
  N      -4.107102     -0.048032      3.888345
  C      -3.184040     -0.703827      4.611510
  C      -5.295284      1.226421      1.741282
  C      -6.681227     10.639982     -1.347086
  C      -6.633763      9.249433     -0.758904
  O      -7.125097      8.291542     -1.349486
  C      -5.963680      9.058679      0.567757
  C      -5.295313     10.094646      1.242371
  C      -4.676275      9.852874      2.464134
  C      -4.716843      8.572049      3.010056
  F      -4.116218      8.400539      4.205404
  C      -5.379670      7.506838      2.373469
  C      -5.477322      6.097112      2.869789
  O      -6.359964      5.348454      2.442168
  N      -4.501697      5.713133      3.797586
  C      -4.276237      4.429173      3.832512
  C      -6.003813      7.791389      1.153456
  C     -13.241309     -0.529745      2.172352
  C     -12.090108     -0.900349      3.077981
  O     -12.023241     -2.006864      3.601194
  C     -11.022993      0.123472      3.329589
  C     -11.025173      1.386976      2.712478
  C     -10.010276      2.302161      2.968049
  C      -8.985918      1.946415      3.839942
  F      -8.027450      2.868110      4.073314
  C      -8.945588      0.698666      4.485157
  C      -7.894291      0.279894      5.462680
  O      -8.106047     -0.606186      6.287273
  N      -6.649233      0.896158      5.311390
  C      -6.023381      1.242256      6.388735
  C      -9.989259     -0.193471      4.216276
  H      -6.682598      4.586547     -0.267914
  H      -5.052273      4.991021     -0.889057
  H      -5.994074      3.638328     -1.597463
  H      -7.700552      2.336992     -0.386524
  H      -8.802151      0.272879      0.472267
  H      -3.229095     -1.778876      4.834783
  H      -4.294141      1.479113      2.069060
  H      -7.157138     11.347538     -0.651889
  H      -5.663362     11.012136     -1.539578
  H      -7.242293     10.614657     -2.286728
  H      -5.252213     11.097795      0.817305
  H      -4.160531     10.643134      3.010128
  H      -4.775754      3.747899      3.121185
  H      -6.536810      6.988763      0.644276
  H     -13.933415     -1.375427      2.107674
  H     -12.881789     -0.273375      1.163984
  H     -13.771470      0.353510      2.560321
  H     -11.824968      1.666410      2.026411
  H      -9.995442      3.289874      2.508739
  H      -6.522208      1.221873      7.373367
  H      -9.989049     -1.167220      4.707208
  N      -2.175594      2.065201      2.895486
  H      -1.921023      1.167465      2.471882
  H      -1.298961      2.560585      3.082781
  H      -2.663975      2.610606      2.163835
90
Coordinates from ORCA-job orca E -6670.487455748457
  N      -2.233160      0.170023      5.035311
  Mo     -3.460175      1.815717      4.833349
  N      -4.721421      1.654263      6.408850
  C      -4.279045      2.335111      7.635190
  C      -2.777254      2.173893      7.775585
  N      -2.053605      2.392656      6.468765
  C      -0.851411      1.484327      6.415376
  C      -1.282430      0.049382      6.123394
  C      -1.635954      3.819286      6.251942
  C      -2.797596      4.646562      5.739270
  N      -3.493963      3.835869      4.731411
  H      -0.403433     -0.545774      5.830752
  H      -1.740260     -0.436198      7.000029
  H      -0.217064      1.842083      5.594261
  H      -0.284155      1.561011      7.355437
  H      -3.492053      4.943702      6.538906
  H      -2.434630      5.578629      5.280124
  H      -1.208601      4.232293      7.178402
  H      -0.845823      3.798487      5.489426
  H      -4.768887      1.902105      8.521843
  H      -4.571557      3.395490      7.592572
  H      -2.567725      1.142724      8.084662
  H      -2.360122      2.849768      8.536842
  C      -5.836307      4.151266     -0.662701
  C      -5.191994      3.233325      0.334815
  O      -4.053245      3.458121      0.763372
  C      -5.942153      2.030820      0.805049
  C      -7.223937      1.663283      0.358795
  C      -7.824338      0.499920      0.834119
  C      -7.158949     -0.296801      1.764370
  F      -7.770148     -1.405125      2.199200
  C      -5.891943      0.055196      2.263837
  C      -5.128017     -0.765287      3.239464
  O      -5.297317     -1.957384      3.440022
  N      -4.084327     -0.042638      3.877168
  C      -3.137159     -0.687652      4.580341
  C      -5.317588      1.213252      1.744874
  C      -6.587863     10.596148     -1.407702
  C      -6.564514      9.213089     -0.802097
  O      -7.034302      8.248908     -1.400109
  C      -5.941175      9.036089      0.548950
  C      -5.294707     10.078294      1.234477
  C      -4.715942      9.849098      2.478644
  C      -4.773921      8.573834      3.035538
  F      -4.214040      8.414786      4.252308
  C      -5.415820      7.502579      2.387567
  C      -5.525705      6.096387      2.889450
  O      -6.411674      5.352644      2.460901
  N      -4.559167      5.710698      3.824306
  C      -4.325878      4.429000      3.853855
  C      -6.001448      7.774729      1.145925
  C     -13.224421     -0.433544      2.140919
  C     -12.074283     -0.837298      3.034201
  O     -12.013277     -1.959740      3.523784
  C     -10.999840      0.171757      3.313591
  C     -10.991482      1.450877      2.730047
  C      -9.968758      2.350878      3.010423
  C      -8.948475      1.964388      3.873528
  F      -7.982073      2.871042      4.130401
  C      -8.919021      0.700189      4.486358
  C      -7.870153      0.249030      5.452535
  O      -8.083435     -0.662454      6.248624
  N      -6.625895      0.871265      5.323621
  C      -6.001160      1.188816      6.409769
  C      -9.969530     -0.176270      4.192563
  H      -6.774465      4.557857     -0.256217
  H      -5.155695      4.976153     -0.895951
  H      -6.090201      3.606774     -1.585253
  H      -7.761287      2.281150     -0.361069
  H      -8.818653      0.197424      0.505101
  H      -3.162319     -1.765073      4.796261
  H      -4.319043      1.481762      2.065173
  H      -7.095647     11.309955     -0.741628
  H      -5.563079     10.968983     -1.559481
  H      -7.107327     10.559149     -2.370902
  H      -5.237084     11.076814      0.800576
  H      -4.218840     10.645250      3.033226
  H      -4.808919      3.747021      3.134116
  H      -6.516926      6.966656      0.626582
  H     -13.921436     -1.273221      2.052124
  H     -12.864787     -0.149026      1.140110
  H     -13.749248      0.440349      2.555930
  H     -11.788739      1.754658      2.051196
  H      -9.944868      3.350770      2.576087
  H      -6.496636      1.136176      7.394942
  H      -9.976824     -1.162771      4.657240
  N      -2.207707      2.114495      2.896175
  H      -1.938911      1.224197      2.466201
  H      -1.339876      2.626251      3.079704
  H      -2.712625      2.654408      2.170824
90
Coordinates from ORCA-job orca E -6670.487927814152
  N      -2.192408      0.197016      5.005481
  Mo     -3.463506      1.815070      4.850224
  N      -4.696557      1.605775      6.441936
  C      -4.254571      2.266691      7.678301
  C      -2.746971      2.145460      7.790160
  N      -2.052489      2.404027      6.475071
  C      -0.827009      1.530592      6.386634
  C      -1.221405      0.087939      6.076836
  C      -1.680487      3.845773      6.273131
  C      -2.871552      4.645740      5.781398
  N      -3.548361      3.832697      4.763553
  H      -0.329626     -0.475314      5.760703
  H      -1.649060     -0.427079      6.951985
  H      -0.216327      1.917584      5.560508
  H      -0.244984      1.607503      7.317635
  H      -3.571136      4.901494      6.590758
  H      -2.542509      5.598346      5.339384
  H      -1.257152      4.260404      7.200836
  H      -0.897467      3.857781      5.503320
  H      -4.717404      1.797996      8.561532
  H      -4.579395      3.318927      7.667215
  H      -2.503700      1.115823      8.080184
  H      -2.335233      2.821635      8.553879
  C      -5.950124      4.114181     -0.650215
  C      -5.278389      3.212030      0.343019
  O      -4.143855      3.464295      0.766397
  C      -5.998650      1.992933      0.821551
  C      -7.277613      1.598063      0.390719
  C      -7.848545      0.423954      0.875014
  C      -7.155871     -0.355968      1.799406
  F      -7.740317     -1.471797      2.249862
  C      -5.888832      0.020290      2.280478
  C      -5.095150     -0.786668      3.245238
  O      -5.234667     -1.982701      3.443570
  N      -4.057216     -0.042825      3.870854
  C      -3.085367     -0.673927      4.554604
  C      -5.344604      1.189395      1.753804
  C      -6.522726     10.538509     -1.457321
  C      -6.523517      9.163642     -0.834324
  O      -6.988804      8.195959     -1.430138
  C      -5.935758      8.999981      0.534270
  C      -5.298489     10.046503      1.221855
  C      -4.750705      9.829456      2.482365
  C      -4.828788      8.561769      3.053648
  F      -4.299135      8.414654      4.285463
  C      -5.461046      7.486525      2.403417
  C      -5.584668      6.085948      2.915285
  O      -6.477479      5.347934      2.490694
  N      -4.623189      5.700526      3.854708
  C      -4.380736      4.420541      3.879442
  C      -6.017571      7.746621      1.145810
  C     -13.176288     -0.290778      2.064722
  C     -12.035874     -0.738379      2.950087
  O     -11.988963     -1.879060      3.397529
  C     -10.955218      0.249786      3.276160
  C     -10.927530      1.548284      2.738204
  C      -9.897545      2.426406      3.061492
  C      -8.890719      1.998839      3.920324
  F      -7.919123      2.886366      4.220878
  C      -8.880472      0.713282      4.487370
  C      -7.840558      0.218642      5.442463
  O      -8.065056     -0.715212      6.208900
  N      -6.593507      0.840266      5.339080
  C      -5.973170      1.131461      6.435110
  C      -9.937663     -0.139855      4.152315
  H      -6.887400      4.510640     -0.231938
  H      -5.286578      4.948271     -0.899928
  H      -6.211638      3.559241     -1.564605
  H      -7.834880      2.202363     -0.325465
  H      -8.840602      0.100773      0.558311
  H      -3.087806     -1.753383      4.762340
  H      -4.347376      1.476437      2.060074
  H      -7.047368     11.261612     -0.814521
  H      -5.492370     10.906195     -1.582514
  H      -7.012703     10.492209     -2.435521
  H      -5.224485     11.039083      0.777120
  H      -4.262502     10.630026      3.038654
  H      -4.849516      3.736257      3.154621
  H      -6.525653      6.935022      0.624277
  H     -13.880080     -1.120213      1.939884
  H     -12.806587      0.027630      1.077850
  H     -13.697109      0.571411      2.508234
  H     -11.715088      1.884362      2.063212
  H      -9.858186      3.441247      2.662983
  H      -6.466622      1.046937      7.419042
  H      -9.958285     -1.142648      4.580623
  N      -2.248867      2.161938      2.894906
  H      -1.964812      1.279873      2.458115
  H      -1.391394      2.693706      3.069607
  H      -2.776128      2.692342      2.177735
90
Coordinates from ORCA-job orca E -6670.488416582295
  N      -2.152094      0.220288      4.980145
  Mo     -3.464609      1.807972      4.867364
  N      -4.667157      1.556187      6.476968
  C      -4.222742      2.200588      7.719913
  C      -2.711110      2.117838      7.803414
  N      -2.048100      2.412587      6.480093
  C      -0.801342      1.575259      6.357517
  C      -1.160087      0.125373      6.033326
  C      -1.720900      3.867688      6.292343
  C      -2.939004      4.640245      5.818264
  N      -3.598954      3.822627      4.794533
  H      -0.257585     -0.406260      5.693514
  H      -1.555927     -0.416184      6.907504
  H      -0.215881      1.988836      5.525862
  H      -0.203451      1.655180      7.278234
  H      -3.642142      4.860025      6.635223
  H      -2.641982      5.609380      5.390010
  H      -1.301417      4.284133      7.221080
  H      -0.945308      3.911295      5.516282
  H      -4.658034      1.701733      8.600761
  H      -4.575606      3.243947      7.736418
  H      -2.434523      1.091858      8.077272
  H      -2.304108      2.796267      8.567620
  C      -6.087089      4.068083     -0.614747
  C      -5.381375      3.182034      0.368455
  O      -4.245530      3.456508      0.773374
  C      -6.067170      1.945113      0.855936
  C      -7.344737      1.523198      0.447193
  C      -7.883076      0.338463      0.942431
  C      -7.157909     -0.424368      1.856111
  F      -7.712912     -1.546839      2.326219
  C      -5.888516     -0.024439      2.310934
  C      -5.060429     -0.817162      3.259505
  O      -5.171492     -2.015647      3.458507
  N      -4.028325     -0.051132      3.869942
  C      -3.032297     -0.666114      4.533728
  C      -5.377842      1.155399      1.774686
  C      -6.493853     10.469779     -1.498270
  C      -6.513096      9.102556     -0.859558
  O      -6.978064      8.131395     -1.449985
  C      -5.948501      8.952020      0.520373
  C      -5.317035     10.003628      1.206142
  C      -4.790945      9.798680      2.477768
  C      -4.883212      8.538259      3.062612
  F      -4.375082      8.402887      4.304849
  C      -5.509191      7.458576      2.414788
  C      -5.643261      6.063965      2.939174
  O      -6.540703      5.328485      2.519724
  N      -4.684596      5.682197      3.883032
  C      -4.433856      4.403409      3.905059
  C      -6.045165      7.706511      1.145708
  C     -13.086994     -0.109963      1.935621
  C     -11.970402     -0.605924      2.825884
  O     -11.943414     -1.765209      3.224247
  C     -10.888003      0.356355      3.216603
  C     -10.833691      1.675055      2.732346
  C      -9.801141      2.526471      3.115104
  C      -8.818884      2.051998      3.976960
  F      -7.848397      2.917016      4.340926
  C      -8.834170      0.743521      4.488452
  C      -7.811301      0.199202      5.435542
  O      -8.056064     -0.753018      6.171940
  N      -6.557009      0.810989      5.358443
  C      -5.941173      1.075795      6.464125
  C      -9.894381     -0.080994      4.097483
  H      -7.018677      4.455574     -0.175658
  H      -5.443075      4.910221     -0.887609
  H      -6.364392      3.502529     -1.517831
  H      -7.926086      2.114778     -0.260414
  H      -8.874000     -0.004786      0.644653
  H      -3.010443     -1.747016      4.732819
  H      -4.380601      1.462346      2.060904
  H      -7.027679     11.201594     -0.872929
  H      -5.459698     10.832453     -1.606838
  H      -6.963851     10.415008     -2.485782
  H      -5.231790     10.990744      0.751628
  H      -4.308957     10.603907      3.032762
  H      -4.892843      3.716413      3.177671
  H      -6.548987      6.891279      0.625842
  H     -13.795546     -0.926208      1.760960
  H     -12.691724      0.244819      0.971318
  H     -13.610584      0.738390      2.402123
  H     -11.602623      2.047389      2.054963
  H      -9.741607      3.556575      2.760558
  H      -6.433875      0.964310      7.445579
  H      -9.933443     -1.100848      4.482573
  N      -2.294322      2.200578      2.892130
  H      -1.995818      1.327097      2.447779
  H      -1.447698      2.753108      3.054703
  H      -2.846181      2.719230      2.184938
90
Coordinates from ORCA-job orca E -6670.488871659190
  N      -2.114778      0.242121      4.955653
  Mo     -3.466309      1.796925      4.881834
  N      -4.637725      1.504601      6.509804
  C      -4.188031      2.133120      7.757880
  C      -2.674084      2.086941      7.813173
  N      -2.044404      2.418448      6.482920
  C      -0.778119      1.618222      6.326558
  C      -1.102876      0.162106      5.990687
  C      -1.761682      3.885787      6.311703
  C      -3.004820      4.630661      5.854429
  N      -3.649133      3.808377      4.825226
  H      -0.191749     -0.339365      5.628369
  H      -1.467994     -0.401962      6.863968
  H      -0.219462      2.057076      5.489560
  H      -0.164077      1.703043      7.236269
  H      -3.710208      4.818425      6.677759
  H      -2.737827      5.613756      5.438671
  H      -1.346309      4.302266      7.242230
  H      -0.993849      3.962740      5.530442
  H      -4.595533      1.606543      8.635906
  H      -4.564570      3.167319      7.801671
  H      -2.364913      1.065606      8.069296
  H      -2.271194      2.766258      8.578879
  C      -6.216712      4.018810     -0.574743
  C      -5.473358      3.144192      0.389901
  O      -4.340058      3.444754      0.783294
  C      -6.125627      1.892013      0.886346
  C      -7.400835      1.444672      0.498017
  C      -7.907758      0.250023      1.002322
  C      -7.153091     -0.494952      1.906955
  F      -7.679917     -1.623502      2.394944
  C      -5.882674     -0.072220      2.337595
  C      -5.022738     -0.850384      3.269876
  O      -5.109579     -2.050140      3.471596
  N      -3.998283     -0.063459      3.867334
  C      -2.980102     -0.661120      4.511833
  C      -5.403901      1.116780      1.792437
  C      -6.483303     10.400186     -1.531076
  C      -6.516629      9.039481     -0.878625
  O      -6.978960      8.064179     -1.464155
  C      -5.970004      8.901539      0.509974
  C      -5.346261      9.959310      1.194495
  C      -4.838549      9.765870      2.474995
  C      -4.940594      8.511430      3.070929
  F      -4.450547      8.386259      4.321519
  C      -5.559243      7.426700      2.425730
  C      -5.702155      6.037794      2.963624
  O      -6.600838      5.302550      2.547591
  N      -4.745841      5.660650      3.912623
  C      -4.487195      4.382557      3.932713
  C      -6.076707      7.662796      1.146697
  C     -12.988424      0.082018      1.805886
  C     -11.907978     -0.458441      2.714559
  O     -11.912505     -1.628466      3.080368
  C     -10.820550      0.472749      3.161962
  C     -10.726978      1.801828      2.712423
  C      -9.690274      2.622959      3.146526
  C      -8.742898      2.106853      4.022889
  F      -7.772738      2.945316      4.445494
  C      -8.794319      0.785094      4.495225
  C      -7.794998      0.197396      5.442241
  O      -8.067006     -0.761890      6.158415
  N      -6.527851      0.786067      5.382099
  C      -5.911309      1.024256      6.494099
  C      -9.860214     -0.007159      4.057394
  H      -7.142034      4.390735     -0.109015
  H      -5.596138      4.872542     -0.865291
  H      -6.508897      3.448991     -1.470021
  H      -8.004825      2.024168     -0.200559
  H      -8.896305     -0.112626      0.722119
  H      -2.932090     -1.743115      4.699835
  H      -4.407417      1.444117      2.059406
  H      -7.024521     11.139130     -0.920627
  H      -5.446722     10.759667     -1.626423
  H      -6.937179     10.337260     -2.525503
  H      -5.253726     10.942059      0.732198
  H      -4.363678     10.575941      3.028987
  H      -4.940016      3.693952      3.202794
  H      -6.574509      6.843245      0.628229
  H     -13.705999     -0.715647      1.588023
  H     -12.556830      0.453830      0.863838
  H     -13.511350      0.928013      2.277628
  H     -11.469203      2.205307      2.023292
  H      -9.601678      3.660478      2.822504
  H      -6.402904      0.893948      7.473542
  H      -9.927385     -1.036271      4.413453
  N      -2.339355      2.236569      2.890101
  H      -2.025767      1.373227      2.436142
  H      -1.504481      2.809654      3.042074
  H      -2.914690      2.743545      2.193940
90
Coordinates from ORCA-job orca E -6670.489284734385
  N      -2.077777      0.269551      4.928461
  Mo     -3.468729      1.787950      4.885730
  N      -4.618104      1.452519      6.523445
  C      -4.167918      2.064105      7.779578
  C      -2.653182      2.055007      7.814997
  N      -2.051076      2.427303      6.483306
  C      -0.764495      1.666689      6.299831
  C      -1.052496      0.205519      5.951316
  C      -1.814361      3.905810      6.333040
  C      -3.080090      4.619818      5.888011
  N      -3.702269      3.794966      4.846115
  H      -0.131743     -0.265613      5.572635
  H      -1.392168     -0.378234      6.821827
  H      -0.230213      2.131906      5.461418
  H      -0.140027      1.757960      7.201945
  H      -3.790322      4.775208      6.714176
  H      -2.841842      5.616390      5.487235
  H      -1.408741      4.320596      7.268449
  H      -1.051537      4.019844      5.551124
  H      -4.551363      1.508703      8.650573
  H      -4.566599      3.088151      7.851317
  H      -2.313075      1.038664      8.049865
  H      -2.258403      2.731450      8.587656
  C      -6.282871      3.984464     -0.548670
  C      -5.516411      3.121198      0.407876
  O      -4.387019      3.441902      0.797366
  C      -6.138763      1.850879      0.895118
  C      -7.403515      1.377853      0.503607
  C      -7.885568      0.170722      1.003184
  C      -7.116997     -0.559049      1.908796
  F      -7.623152     -1.696645      2.399146
  C      -5.853192     -0.113937      2.336731
  C      -4.973200     -0.878918      3.259706
  O      -5.040059     -2.079793      3.462881
  N      -3.961181     -0.073062      3.851965
  C      -2.924375     -0.651462      4.482395
  C      -5.399244      1.086433      1.795492
  C      -6.435292     10.356537     -1.560801
  C      -6.485645      8.999129     -0.901191
  O      -6.935331      8.020585     -1.491087
  C      -5.970362      8.869048      0.500154
  C      -5.365909      9.931986      1.194864
  C      -4.888443      9.745551      2.487613
  C      -5.001537      8.493181      3.086018
  F      -4.540580      8.372243      4.348116
  C      -5.602875      7.404509      2.432080
  C      -5.756196      6.018352      2.976297
  O      -6.650424      5.282891      2.553487
  N      -4.807365      5.642710      3.934512
  C      -4.537401      4.366227      3.949139
  C      -6.089435      7.633191      1.139856
  C     -12.970788      0.222336      1.784335
  C     -11.910687     -0.349048      2.697429
  O     -11.943915     -1.520984      3.054725
  C     -10.805004      0.554062      3.157211
  C     -10.676722      1.881918      2.711572
  C      -9.624802      2.677790      3.154105
  C      -8.697308      2.136294      4.036670
  F      -7.716997      2.952643      4.477871
  C      -8.779288      0.813186      4.500128
  C      -7.793859      0.199865      5.445750
  O      -8.085191     -0.757728      6.155289
  N      -6.514311      0.763942      5.387881
  C      -5.893500      0.977925      6.502838
  C      -9.860713      0.046979      4.055070
  H      -7.207906      4.339604     -0.068639
  H      -5.680899      4.849183     -0.845485
  H      -6.576343      3.412452     -1.441603
  H      -8.020009      1.947855     -0.191818
  H      -8.865437     -0.211896      0.721506
  H      -2.848822     -1.733855      4.658214
  H      -4.409431      1.435227      2.062099
  H      -6.991609     11.098853     -0.968453
  H      -5.396857     10.715826     -1.631364
  H      -6.863847     10.288067     -2.565879
  H      -5.265082     10.913127      0.730889
  H      -4.429033     10.559117      3.049314
  H      -4.979223      3.679711      3.209763
  H      -6.571978      6.809953      0.613398
  H     -13.705188     -0.556529      1.555272
  H     -12.522291      0.589220      0.848236
  H     -13.477441      1.078189      2.256159
  H     -11.404274      2.303731      2.017922
  H      -9.510021      3.713550      2.835323
  H      -6.385439      0.835814      7.480379
  H      -9.954255     -0.981494      4.407230
  N      -2.368070      2.277073      2.889751
  H      -2.033628      1.426184      2.426870
  H      -1.547803      2.871293      3.040821
  H      -2.960002      2.772662      2.200393
90
Coordinates from ORCA-job orca E -6670.489689451787
  N      -2.056683      0.293850      4.902564
  Mo     -3.476458      1.784722      4.899929
  N      -4.591134      1.413455      6.552261
  C      -4.128909      2.000900      7.815778
  C      -2.612981      2.022173      7.819279
  N      -2.046755      2.433374      6.482125
  C      -0.746706      1.704326      6.261061
  C      -1.009857      0.241217      5.903710
  C      -1.848641      3.919458      6.351348
  C      -3.136601      4.607125      5.933766
  N      -3.750178      3.786037      4.882531
  H      -0.086950     -0.206218      5.502325
  H      -1.319995     -0.356743      6.775468
  H      -0.242831      2.192181      5.416804
  H      -0.104457      1.799506      7.150281
  H      -3.840053      4.731263      6.770900
  H      -2.926216      5.615691      5.547424
  H      -1.442663      4.330114      7.288220
  H      -1.098543      4.066435      5.562388
  H      -4.483948      1.414104      8.678182
  H      -4.544465      3.014887      7.925002
  H      -2.247302      1.008871      8.024656
  H      -2.215005      2.689671      8.598096
  C      -6.378153      3.933194     -0.530891
  C      -5.591409      3.091148      0.428815
  O      -4.467057      3.436323      0.812533
  C      -6.189004      1.814240      0.925003
  C      -7.450731      1.323250      0.546202
  C      -7.912725      0.111438      1.053203
  C      -7.126881     -0.606075      1.953354
  F      -7.615807     -1.748059      2.451581
  C      -5.864107     -0.143884      2.366881
  C      -4.964131     -0.893613      3.280925
  O      -5.007949     -2.096465      3.481237
  N      -3.952502     -0.074347      3.854851
  C      -2.893198     -0.638070      4.462075
  C      -5.431127      1.061338      1.819485
  C      -6.421616     10.283099     -1.588984
  C      -6.490695      8.935828     -0.910084
  O      -6.940303      7.951959     -1.490975
  C      -5.987220      8.820706      0.496647
  C      -5.377038      9.886960      1.180754
  C      -4.909117      9.713704      2.478864
  C      -5.038234      8.469958      3.091921
  F      -4.584713      8.358369      4.357708
  C      -5.647478      7.378906      2.449149
  C      -5.817217      6.001899      3.014045
  O      -6.721257      5.269807      2.607786
  N      -4.865913      5.628452      3.969882
  C      -4.588267      4.354790      3.988181
  C      -6.124490      7.594748      1.151681
  C     -12.878389      0.361164      1.680523
  C     -11.836295     -0.242052      2.593444
  O     -11.875267     -1.425992      2.908587
  C     -10.739340      0.644146      3.104598
  C     -10.601746      1.984759      2.702211
  C      -9.559720      2.767713      3.187872
  C      -8.650735      2.199041      4.073503
  F      -7.684411      3.003407      4.564746
  C      -8.739267      0.860251      4.491455
  C      -7.769393      0.213380      5.431178
  O      -8.074360     -0.761119      6.111013
  N      -6.485661      0.768087      5.401289
  C      -5.869108      0.948979      6.524487
  C      -9.811683      0.107398      4.003097
  H      -7.300234      4.283661     -0.041720
  H      -5.788906      4.800399     -0.845368
  H      -6.677910      3.348391     -1.413165
  H      -8.082148      1.883784     -0.143434
  H      -8.889933     -0.285060      0.780984
  H      -2.794935     -1.720326      4.627106
  H      -4.444152      1.424317      2.077350
  H      -6.980722     11.037887     -1.015449
  H      -5.380140     10.634387     -1.651100
  H      -6.838762     10.202462     -2.597935
  H      -5.263299     10.860640      0.703945
  H      -4.444837     10.530033      3.032541
  H      -5.028483      3.665153      3.249303
  H      -6.612731      6.770042      0.633346
  H     -13.608965     -0.408398      1.411059
  H     -12.412378      0.758931      0.765714
  H     -13.392099      1.201711      2.171474
  H     -11.314897      2.427370      2.006548
  H      -9.438821      3.812744      2.903380
  H      -6.364304      0.787438      7.497600
  H      -9.912559     -0.931568      4.320283
  N      -2.408641      2.311932      2.894351
  H      -2.060391      1.470939      2.423620
  H      -1.599442      2.922383      3.040954
  H      -3.016110      2.798670      2.212556
90
Coordinates from ORCA-job orca E -6670.490050966163
  N      -2.041792      0.303999      4.888316
  Mo     -3.483786      1.771427      4.902945
  N      -4.573822      1.383330      6.568996
  C      -4.099250      1.955684      7.835135
  C      -2.583982      1.999344      7.812790
  N      -2.046064      2.436926      6.471744
  C      -0.735038      1.734571      6.226707
  C      -0.976259      0.268090      5.870080
  C      -1.880123      3.927698      6.352388
  C      -3.185159      4.590499      5.952009
  N      -3.788544      3.768742      4.894645
  H      -0.052514     -0.161238      5.451622
  H      -1.260438     -0.336212      6.746199
  H      -0.254964      2.236229      5.376597
  H      -0.080233      1.839318      7.105762
  H      -3.883346      4.692063      6.796439
  H      -2.997710      5.606682      5.573602
  H      -1.476425      4.337932      7.290397
  H      -1.139165      4.099345      5.559618
  H      -4.431413      1.348336      8.692439
  H      -4.525370      2.962321      7.970433
  H      -2.199442      0.989284      7.996425
  H      -2.182252      2.660888      8.594691
  C      -6.426698      3.897343     -0.487810
  C      -5.619193      3.051058      0.451658
  O      -4.497444      3.407740      0.832379
  C      -6.202988      1.768526      0.947688
  C      -7.463001      1.269072      0.574032
  C      -7.913962      0.052895      1.080934
  C      -7.120658     -0.659975      1.978347
  F      -7.602932     -1.804469      2.478045
  C      -5.860687     -0.187888      2.389243
  C      -4.952548     -0.925143      3.304364
  O      -4.987362     -2.127102      3.514738
  N      -3.942379     -0.094295      3.862816
  C      -2.867032     -0.641508      4.457998
  C      -5.437781      1.020196      1.839294
  C      -6.419613     10.270433     -1.591329
  C      -6.489962      8.921696     -0.915340
  O      -6.935889      7.938342     -1.500412
  C      -5.997912      8.805588      0.495339
  C      -5.398431      9.872353      1.187145
  C      -4.942455      9.698628      2.489692
  C      -5.073702      8.453078      3.098672
  F      -4.633127      8.340376      4.369018
  C      -5.673086      7.361140      2.447490
  C      -5.847333      5.983021      3.008958
  O      -6.752733      5.254638      2.600231
  N      -4.903725      5.609106      3.971618
  C      -4.621449      4.336929      3.994192
  C      -6.137935      7.577671      1.146094
  C     -12.825459      0.447995      1.618793
  C     -11.804970     -0.163463      2.549990
  O     -11.859851     -1.347081      2.865131
  C     -10.707298      0.712026      3.077973
  C     -10.545476      2.048197      2.670186
  C      -9.502352      2.822222      3.167564
  C      -8.616675      2.247017      4.073135
  F      -7.651150      3.040238      4.582762
  C      -8.726591      0.910762      4.493110
  C      -7.774638      0.255777      5.444399
  O      -8.101017     -0.706979      6.130781
  N      -6.479421      0.784875      5.415111
  C      -5.860956      0.947643      6.540356
  C      -9.800096      0.167270      3.993028
  H      -7.340607      4.236793      0.023944
  H      -5.847410      4.771032     -0.803359
  H      -6.740152      3.321016     -1.370768
  H      -8.101204      1.824885     -0.112931
  H      -8.887782     -0.352903      0.808940
  H      -2.747965     -1.722345      4.619144
  H      -4.454053      1.392850      2.095886
  H      -6.984536     11.023020     -1.020395
  H      -5.378559     10.624249     -1.646260
  H      -6.831227     10.190110     -2.602708
  H      -5.283817     10.847298      0.713097
  H      -4.486769     10.515487      3.049689
  H      -5.056982      3.648562      3.252719
  H      -6.618705      6.752632      0.621021
  H     -13.559369     -0.314652      1.338803
  H     -12.340334      0.838388      0.710659
  H     -13.337905      1.295489      2.098804
  H     -11.240112      2.494940      1.958533
  H      -9.361700      3.863639      2.878136
  H      -6.360235      0.788549      7.511857
  H      -9.918718     -0.869357      4.311434
  N      -2.438612      2.318638      2.891138
  H      -2.075851      1.485071      2.418147
  H      -1.640804      2.944925      3.033413
  H      -3.058383      2.793560      2.211531
90
Coordinates from ORCA-job orca E -6670.490392716267
  N      -2.022497      0.313636      4.883873
  Mo     -3.482948      1.762125      4.907954
  N      -4.558424      1.357971      6.580167
  C      -4.079717      1.914753      7.851331
  C      -2.565782      1.977391      7.813729
  N      -2.045334      2.438007      6.473089
  C      -0.723929      1.759656      6.213007
  C      -0.942939      0.291175      5.850337
  C      -1.906045      3.931818      6.367132
  C      -3.224694      4.574259      5.977532
  N      -3.814664      3.755015      4.911142
  H      -0.017707     -0.119704      5.417437
  H      -1.204180     -0.322677      6.726989
  H      -0.260307      2.274869      5.361577
  H      -0.063403      1.871333      7.086929
  H      -3.920776      4.651563      6.825994
  H      -3.057157      5.597917      5.609702
  H      -1.508609      4.339974      7.308909
  H      -1.169521      4.123758      5.575102
  H      -4.395452      1.288293      8.701183
  H      -4.516571      2.914018      8.008677
  H      -2.167546      0.969446      7.978645
  H      -2.163468      2.632602      8.600428
  C      -6.473923      3.848625     -0.489819
  C      -5.656688      3.019101      0.456840
  O      -4.540417      3.394759      0.834643
  C      -6.219454      1.728409      0.955936
  C      -7.473638      1.210568      0.586104
  C      -7.905433     -0.011134      1.095226
  C      -7.099744     -0.712974      1.990414
  F      -7.565001     -1.864472      2.488871
  C      -5.846063     -0.223422      2.398879
  C      -4.926565     -0.948351      3.314107
  O      -4.954746     -2.148620      3.535598
  N      -3.921749     -0.108296      3.868040
  C      -2.835839     -0.642394      4.456053
  C      -5.442109      0.990874      1.846624
  C      -6.428859     10.243331     -1.594572
  C      -6.496545      8.895618     -0.917405
  O      -6.929234      7.908639     -1.506438
  C      -6.013551      8.783397      0.496771
  C      -5.426072      9.853807      1.191693
  C      -4.978607      9.684418      2.498233
  C      -5.106627      8.438830      3.107481
  F      -4.676122      8.331462      4.381703
  C      -5.693904      7.342525      2.452184
  C      -5.866249      5.963971      3.011802
  O      -6.768436      5.233715      2.598796
  N      -4.928511      5.592614      3.978959
  C      -4.639986      4.322808      4.003971
  C      -6.150698      7.554780      1.147347
  C     -12.800817      0.549518      1.585879
  C     -11.781355     -0.077265      2.508081
  O     -11.837499     -1.266541      2.803064
  C     -10.684132      0.787484      3.054089
  C     -10.513376      2.127239      2.663812
  C      -9.468468      2.890706      3.175738
  C      -8.590928      2.300531      4.079579
  F      -7.624553      3.079907      4.607709
  C      -8.709975      0.960161      4.481825
  C      -7.767736      0.290193      5.431667
  O      -8.104753     -0.677201      6.106649
  N      -6.466984      0.806015      5.411810
  C      -5.851450      0.944250      6.542876
  C      -9.783880      0.227142      3.966825
  H      -7.388385      4.185136      0.022797
  H      -5.902062      4.724019     -0.813758
  H      -6.785937      3.262376     -1.366644
  H      -8.121598      1.755432     -0.100382
  H      -8.872967     -0.433102      0.823745
  H      -2.699120     -1.722035      4.611163
  H      -4.463791      1.377459      2.100947
  H      -7.003582     10.993274     -1.029522
  H      -5.389299     10.603420     -1.641895
  H      -6.832581     10.158398     -2.609019
  H      -5.314542     10.828845      0.717245
  H      -4.532823     10.504767      3.060914
  H      -5.066735      3.634287      3.258758
  H      -6.623086      6.726607      0.619072
  H     -13.535787     -0.208061      1.294420
  H     -12.315555      0.952697      0.683371
  H     -13.311488      1.390495      2.078705
  H     -11.201536      2.586301      1.953464
  H      -9.318994      3.935037      2.898704
  H      -6.358476      0.781897      7.509710
  H      -9.909521     -0.812965      4.270287
  N      -2.443992      2.329273      2.899211
  H      -2.063839      1.503477      2.426460
  H      -1.658507      2.970124      3.045021
  H      -3.070295      2.794000      2.216592
90
Coordinates from ORCA-job orca E -6670.490733465255
  N      -2.002715      0.322471      4.876692
  Mo     -3.486560      1.745906      4.908742
  N      -4.542107      1.328060      6.592092
  C      -4.056650      1.872033      7.865385
  C      -2.544985      1.957481      7.807158
  N      -2.048024      2.440932      6.465386
  C      -0.714358      1.794137      6.187758
  C      -0.903888      0.321714      5.821051
  C      -1.942397      3.938100      6.371823
  C      -3.277717      4.554618      5.991737
  N      -3.852683      3.733408      4.919123
  H       0.022033     -0.065019      5.367896
  H      -1.132114     -0.302974      6.699419
  H      -0.272909      2.323670      5.333222
  H      -0.046484      1.918478      7.054271
  H      -3.971410      4.606491      6.844002
  H      -3.134918      5.585148      5.632608
  H      -1.551980      4.346525      7.316582
  H      -1.212017      4.152557      5.580088
  H      -4.350640      1.227529      8.709603
  H      -4.505784      2.862319      8.044055
  H      -2.130078      0.953363      7.954255
  H      -2.141069      2.609004      8.596035
  C      -6.499430      3.785763     -0.473468
  C      -5.673257      2.963042      0.471729
  O      -4.553043      3.341643      0.834717
  C      -6.226149      1.671441      0.978931
  C      -7.480915      1.146421      0.619986
  C      -7.902691     -0.074900      1.137211
  C      -7.086878     -0.770664      2.028722
  F      -7.545259     -1.920933      2.535252
  C      -5.832705     -0.274287      2.426177
  C      -4.903754     -0.987570      3.341753
  O      -4.923579     -2.186081      3.574605
  N      -3.902230     -0.135744      3.881243
  C      -2.800312     -0.650197      4.454985
  C      -5.439562      0.940619      1.866571
  C      -6.444335     10.228360     -1.590294
  C      -6.502209      8.876491     -0.920768
  O      -6.922177      7.888762     -1.517782
  C      -6.035869      8.763051      0.498924
  C      -5.468921      9.836504      1.205664
  C      -5.036627      9.666320      2.517445
  C      -5.160132      8.417271      3.120553
  F      -4.745435      8.310637      4.400125
  C      -5.727709      7.317517      2.453312
  C      -5.895559      5.935253      3.004494
  O      -6.789493      5.201132      2.578520
  N      -4.966487      5.565738      3.978983
  C      -4.670561      4.297722      4.004815
  C      -6.168373      7.530054      1.142863
  C     -12.761593      0.677131      1.538763
  C     -11.747890      0.029317      2.452544
  O     -11.811088     -1.165007      2.725713
  C     -10.649534      0.877754      3.019739
  C     -10.460813      2.219500      2.645796
  C      -9.412547      2.966473      3.175870
  C      -8.550452      2.356949      4.081535
  F      -7.583857      3.118566      4.634549
  C      -8.687583      1.013906      4.467196
  C      -7.760562      0.327135      5.418939
  O      -8.118397     -0.632077      6.095588
  N      -6.451793      0.824529      5.409899
  C      -5.840440      0.937316      6.547842
  C      -9.763814      0.297937      3.934710
  H      -7.405515      4.129731      0.049149
  H      -5.927946      4.656416     -0.810702
  H      -6.824897      3.193745     -1.341436
  H      -8.136948      1.685258     -0.063586
  H      -8.869940     -0.502871      0.875029
  H      -2.639033     -1.727333      4.603695
  H      -4.461488      1.333541      2.112957
  H      -7.030766     10.969387     -1.025707
  H      -5.408380     10.599142     -1.628972
  H      -6.840351     10.144390     -2.607694
  H      -5.361472     10.814576      0.736438
  H      -4.606609     10.489006      3.089070
  H      -5.084846      3.608456      3.252938
  H      -6.623692      6.699142      0.604254
  H     -13.500255     -0.071305      1.233903
  H     -12.272124      1.091540      0.643669
  H     -13.268229      1.513442      2.043938
  H     -11.137252      2.694021      1.934254
  H      -9.247894      4.011496      2.912135
  H      -6.356644      0.775066      7.509555
  H      -9.903807     -0.744325      4.224653
  N      -2.466586      2.332271      2.897304
  H      -2.068662      1.515663      2.423187
  H      -1.695641      2.990877      3.041432
  H      -3.104398      2.783006      2.215478
90
Coordinates from ORCA-job orca E -6670.491085240055
  N      -1.988519      0.332589      4.872924
  Mo     -3.490144      1.736464      4.909793
  N      -4.528381      1.305245      6.604504
  C      -4.035550      1.831284      7.881052
  C      -2.526340      1.933940      7.803323
  N      -2.050770      2.440996      6.462808
  C      -0.707389      1.823927      6.168129
  C      -0.870799      0.349262      5.793364
  C      -1.973432      3.941286      6.387513
  C      -3.321644      4.538699      6.016097
  N      -3.883336      3.719620      4.936310
  H       0.053511     -0.013312      5.317268
  H      -1.064973     -0.288539      6.670646
  H      -0.286037      2.367681      5.312463
  H      -0.033580      1.957674      7.028439
  H      -4.014812      4.565308      6.870020
  H      -3.199195      5.575902      5.669204
  H      -1.589708      4.345452      7.336839
  H      -1.247754      4.177750      5.597933
  H      -4.309391      1.168264      8.717734
  H      -4.494050      2.812651      8.082759
  H      -2.099431      0.931972      7.931569
  H      -2.118359      2.579237      8.595273
  C      -6.543464      3.730519     -0.459714
  C      -5.704002      2.915832      0.480388
  O      -4.588494      3.309683      0.842549
  C      -6.242567      1.621402      0.995718
  C      -7.495379      1.084350      0.646338
  C      -7.903180     -0.137355      1.172229
  C      -7.075989     -0.821824      2.062932
  F      -7.523706     -1.971027      2.580517
  C      -5.823076     -0.314493      2.449243
  C      -4.883942     -1.016238      3.364461
  O      -4.894710     -2.213251      3.605060
  N      -3.885946     -0.154816      3.893303
  C      -2.770428     -0.653824      4.451788
  C      -5.444102      0.901191      1.881051
  C      -6.462086     10.204006     -1.592632
  C      -6.517146      8.852149     -0.922733
  O      -6.931399      7.862787     -1.520639
  C      -6.055362      8.740759      0.498530
  C      -5.492755      9.816297      1.206165
  C      -5.064295      9.647855      2.519384
  C      -5.187639      8.399449      3.124003
  F      -4.775612      8.295180      4.404691
  C      -5.751366      7.298076      2.456615
  C      -5.918449      5.916196      3.008313
  O      -6.807392      5.179317      2.574299
  N      -4.994555      5.548913      3.987286
  C      -4.693490      4.281260      4.015062
  C      -6.186878      7.508020      1.143732
  C     -12.717914      0.787006      1.488380
  C     -11.702208      0.119309      2.385344
  O     -11.755892     -1.084012      2.618702
  C     -10.612390      0.956968      2.981887
  C     -10.418296      2.305315      2.635603
  C      -9.375634      3.040847      3.192675
  C      -8.525748      2.413359      4.096962
  F      -7.570159      3.162992      4.684590
  C      -8.667000      1.062901      4.453441
  C      -7.749247      0.361459      5.402829
  O      -8.119109     -0.597994      6.073268
  N      -6.436357      0.849916      5.406624
  C      -5.829291      0.931417      6.551793
  C      -9.737009      0.358815      3.895036
  H      -7.446280      4.071708      0.070934
  H      -5.979284      4.603507     -0.803023
  H      -6.873920      3.134523     -1.322839
  H      -8.160636      1.614724     -0.035012
  H      -8.869000     -0.573967      0.920748
  H      -2.586322     -1.728731      4.588557
  H      -4.466812      1.302430      2.118308
  H      -7.049936     10.944079     -1.028742
  H      -5.426998     10.576536     -1.631342
  H      -6.856822     10.119087     -2.610193
  H      -5.385492     10.794202      0.736356
  H      -4.636990     10.471903      3.091277
  H      -5.095892      3.590073      3.257266
  H      -6.637455      6.675287      0.603995
  H     -13.451437      0.043025      1.161477
  H     -12.229188      1.228742      0.606077
  H     -13.230571      1.606183      2.015459
  H     -11.086439      2.794643      1.926256
  H      -9.205607      4.089791      2.951384
  H      -6.353148      0.758147      7.507111
  H      -9.880810     -0.689180      4.162259
  N      -2.486903      2.344358      2.898277
  H      -2.072105      1.537903      2.421111
  H      -1.730105      3.019079      3.042924
  H      -3.134942      2.782970      2.218207
90
Coordinates from ORCA-job orca E -6670.491447248946
  N      -1.975613      0.339829      4.870200
  Mo     -3.494262      1.728356      4.911486
  N      -4.517105      1.288885      6.616266
  C      -4.016597      1.796762      7.895884
  C      -2.509637      1.914456      7.799526
  N      -2.055077      2.441078      6.459753
  C      -0.703545      1.851488      6.150278
  C      -0.842293      0.374903      5.769580
  C      -2.004355      3.944105      6.397984
  C      -3.363108      4.522783      6.031406
  N      -3.910328      3.706367      4.942574
  H       0.080589      0.035699      5.273551
  H      -1.004070     -0.274085      6.645206
  H      -0.301371      2.406252      5.292566
  H      -0.025098      1.995120      7.005123
  H      -4.058075      4.524060      6.884270
  H      -3.260571      5.566275      5.697862
  H      -1.627775      4.347393      7.350425
  H      -1.283356      4.198546      5.609895
  H      -4.271593      1.116590      8.724843
  H      -4.484436      2.768727      8.119594
  H      -2.073945      0.914003      7.911156
  H      -2.095918      2.554434      8.592808
  C      -6.574686      3.681102     -0.441543
  C      -5.727748      2.871835      0.495810
  O      -4.614277      3.274641      0.855100
  C      -6.255274      1.573827      1.015372
  C      -7.505939      1.026219      0.673310
  C      -7.901779     -0.196648      1.205190
  C      -7.065554     -0.871143      2.095668
  F      -7.503169     -2.019680      2.622458
  C      -5.814688     -0.353275      2.473770
  C      -4.867723     -1.045149      3.389408
  O      -4.868332     -2.240909      3.634947
  N      -3.874169     -0.173456      3.909164
  C      -2.746024     -0.658172      4.454086
  C      -5.446884      0.862395      1.898372
  C      -6.468115     10.192041     -1.596240
  C      -6.522887      8.839448     -0.927928
  O      -6.927148      7.848610     -1.530113
  C      -6.069242      8.728146      0.495778
  C      -5.514558      9.805611      1.207496
  C      -5.092582      9.637436      2.522739
  C      -5.213703      8.388161      3.125977
  F      -4.807796      8.284413      4.408752
  C      -5.768836      7.285289      2.454748
  C      -5.930904      5.901943      3.002701
  O      -6.814213      5.162143      2.559613
  N      -5.013308      5.535735      3.986211
  C      -4.708176      4.268453      4.011398
  C      -6.198253      7.494222      1.139405
  C     -12.689364      0.875437      1.455742
  C     -11.653865      0.190824      2.316862
  O     -11.680844     -1.022778      2.496465
  C     -10.580376      1.024321      2.945698
  C     -10.397176      2.383338      2.637360
  C      -9.365640      3.112232      3.223178
  C      -8.518175      2.469656      4.118117
  F      -7.575841      3.213196      4.734666
  C      -8.649128      1.108451      4.438333
  C      -7.734218      0.393638      5.379902
  O      -8.106717     -0.578271      6.031479
  N      -6.421768      0.883187      5.402996
  C      -5.818842      0.926224      6.554334
  C      -9.706925      0.410930      3.850504
  H      -7.476067      4.024197      0.090646
  H      -6.013429      4.554381     -0.788888
  H      -6.908184      3.080688     -1.300440
  H      -8.178370      1.550081     -0.006097
  H      -8.867151     -0.639884      0.963151
  H      -2.543226     -1.730453      4.584452
  H      -4.470372      1.268804      2.130065
  H      -7.061846     10.929772     -1.035704
  H      -5.433986     10.567846     -1.628213
  H      -6.854826     10.107053     -2.616817
  H      -5.408619     10.784439      0.739264
  H      -4.671604     10.462925      3.097378
  H      -5.092986      3.576977      3.245452
  H      -6.641635      6.659446      0.596291
  H     -13.410745      0.130997      1.103809
  H     -12.216762      1.363114      0.589083
  H     -13.213935      1.661320      2.020526
  H     -11.064306      2.885778      1.936327
  H      -9.201207      4.167720      3.008998
  H      -6.347561      0.729932      7.502325
  H      -9.841945     -0.645576      4.087529
  N      -2.508209      2.346013      2.895511
  H      -2.079065      1.546179      2.419960
  H      -1.763844      3.034697      3.038787
  H      -3.164577      2.770987      2.214957
90
Coordinates from ORCA-job orca E -6670.491847514148
  N      -1.968509      0.350316      4.871666
  Mo     -3.500057      1.728105      4.913113
  N      -4.510270      1.277032      6.627534
  C      -4.001515      1.761820      7.911522
  C      -2.496564      1.890336      7.798779
  N      -2.062069      2.440306      6.462564
  C      -0.703901      1.876269      6.139118
  C      -0.822469      0.399256      5.751980
  C      -2.034554      3.946114      6.421472
  C      -3.400267      4.510510      6.060288
  N      -3.932872      3.701829      4.958762
  H       0.098202      0.081421      5.237544
  H      -0.956236     -0.260078      6.624325
  H      -0.318462      2.441770      5.281050
  H      -0.022006      2.026592      6.990002
  H      -4.099995      4.486977      6.909237
  H      -3.312790      5.560641      5.744382
  H      -1.664827      4.342673      7.379092
  H      -1.317622      4.221904      5.636730
  H      -4.240898      1.063742      8.730329
  H      -4.474557      2.725147      8.159108
  H      -2.055150      0.890583      7.890806
  H      -2.075513      2.521051      8.595689
  C      -6.609842      3.637715     -0.437174
  C      -5.753167      2.840048      0.500186
  O      -4.642213      3.255114      0.854767
  C      -6.265270      1.536934      1.022395
  C      -7.510862      0.975711      0.683340
  C      -7.893897     -0.249567      1.218834
  C      -7.050300     -0.911144      2.112017
  F      -7.476964     -2.059822      2.647205
  C      -5.803640     -0.379917      2.485943
  C      -4.851354     -1.061978      3.403247
  O      -4.841987     -2.257428      3.649035
  N      -3.864268     -0.182267      3.921461
  C      -2.726606     -0.656540      4.454673
  C      -5.447226      0.836304      1.905089
  C      -6.472677     10.184438     -1.600664
  C      -6.532259      8.832847     -0.929974
  O      -6.942438      7.842616     -1.528929
  C      -6.072031      8.721448      0.491447
  C      -5.506484      9.797532      1.198225
  C      -5.078738      9.629109      2.511033
  C      -5.204742      8.381799      3.117460
  F      -4.792086      8.275918      4.398028
  C      -5.770913      7.281573      2.452396
  C      -5.939112      5.901049      3.006792
  O      -6.824515      5.163779      2.563565
  N      -5.025609      5.533772      3.993458
  C      -4.719042      4.265669      4.018751
  C      -6.205397      7.490161      1.138491
  C     -12.679515      0.927577      1.445826
  C     -11.616837      0.234421      2.266215
  O     -11.606798     -0.986652      2.389372
  C     -10.560576      1.069349      2.920082
  C     -10.392767      2.436509      2.638955
  C      -9.372339      3.164832      3.243515
  C      -8.523030      2.515682      4.131668
  F      -7.594429      3.260007      4.768398
  C      -8.638317      1.146913      4.425437
  C      -7.720103      0.426470      5.358487
  O      -8.088193     -0.558511      5.993356
  N      -6.411015      0.924032      5.399435
  C      -5.811415      0.923811      6.555233
  C      -9.684457      0.449487      3.817678
  H      -7.510111      3.982606      0.095846
  H      -6.054644      4.511321     -0.793541
  H      -6.945133      3.028313     -1.288968
  H      -8.189190      1.492149      0.004071
  H      -8.856689     -0.701971      0.982378
  H      -2.506332     -1.726660      4.573067
  H      -4.473269      1.250403      2.134670
  H      -7.058017     10.927118     -1.038004
  H      -5.436217     10.553446     -1.639029
  H      -6.864446     10.100773     -2.619454
  H      -5.396737     10.774850      0.727772
  H      -4.649110     10.453039      3.081515
  H      -5.089254      3.573433      3.245978
  H      -6.657470      6.656785      0.600329
  H     -13.386869      0.180112      1.072304
  H     -12.230503      1.461577      0.594109
  H     -13.215672      1.676521      2.048431
  H     -11.061676      2.944338      1.943695
  H      -9.217002      4.224633      3.046942
  H      -6.343695      0.694430      7.493630
  H      -9.807314     -0.613119      4.033662
  N      -2.528352      2.358620      2.895186
  H      -2.085463      1.566148      2.419808
  H      -1.795709      3.059634      3.039118
  H      -3.191637      2.771470      2.214511
90
Coordinates from ORCA-job orca E -6670.492299098813
  N      -1.959122      0.360810      4.869267
  Mo     -3.506721      1.725084      4.918825
  N      -4.499351      1.257377      6.642383
  C      -3.982717      1.719300      7.930535
  C      -2.480035      1.862718      7.801321
  N      -2.069587      2.437495      6.467925
  C      -0.704723      1.900762      6.127085
  C      -0.801957      0.424574      5.732493
  C      -2.068237      3.945380      6.447581
  C      -3.441722      4.491633      6.094685
  N      -3.958620      3.692962      4.977540
  H       0.117138      0.129778      5.201505
  H      -0.909074     -0.244274      6.600858
  H      -0.338366      2.478409      5.268953
  H      -0.017828      2.056934      6.973052
  H      -4.145318      4.441087      6.939531
  H      -3.371357      5.548788      5.798552
  H      -1.703723      4.334951      7.409788
  H      -1.358541      4.245434      5.664819
  H      -4.206790      1.002894      8.737956
  H      -4.461098      2.673186      8.202885
  H      -2.029851      0.865822      7.872666
  H      -2.052690      2.484594      8.601803
  C      -6.650313      3.595283     -0.422283
  C      -5.780537      2.805742      0.509146
  O      -4.673842      3.234566      0.861330
  C      -6.275264      1.495853      1.031150
  C      -7.513877      0.919269      0.693354
  C      -7.884109     -0.309362      1.231672
  C      -7.033987     -0.957431      2.128032
  F      -7.449500     -2.106701      2.671208
  C      -5.792234     -0.411393      2.498852
  C      -4.831662     -1.082594      3.414751
  O      -4.807952     -2.278168      3.658632
  N      -3.854233     -0.191724      3.932816
  C      -2.705321     -0.654125      4.453196
  C      -5.448309      0.806485      1.914601
  C      -6.485165     10.151442     -1.617179
  C      -6.543991      8.802223     -0.940983
  O      -6.949099      7.807993     -1.536930
  C      -6.085960      8.698247      0.481726
  C      -5.525616      9.779661      1.185451
  C      -5.100448      9.618383      2.499527
  C      -5.223747      8.372929      3.110349
  F      -4.814116      8.271476      4.392339
  C      -5.784779      7.268342      2.448910
  C      -5.951167      5.889803      3.010813
  O      -6.831434      5.147624      2.567056
  N      -5.044906      5.528164      4.006318
  C      -4.734392      4.261331      4.030474
  C      -6.216844      7.469780      1.133230
  C     -12.651971      1.025583      1.428837
  C     -11.562347      0.315687      2.198005
  O     -11.516422     -0.909955      2.249655
  C     -10.523643      1.141783      2.889692
  C     -10.371229      2.519378      2.653116
  C      -9.362290      3.239267      3.284936
  C      -8.510714      2.573011      4.158631
  F      -7.596520      3.311354      4.823054
  C      -8.611697      1.194059      4.410283
  C      -7.695083      0.453898      5.328476
  O      -8.061423     -0.552715      5.929781
  N      -6.389823      0.957185      5.397487
  C      -5.798454      0.910217      6.558187
  C      -9.646078      0.504458      3.773315
  H      -7.549976      3.934566      0.115038
  H      -6.105591      4.473799     -0.783031
  H      -6.985795      2.981669     -1.270924
  H      -8.197346      1.427741      0.013325
  H      -8.843028     -0.772314      0.997778
  H      -2.467312     -1.721663      4.559902
  H      -4.478702      1.229983      2.144293
  H      -7.072939     10.895717     -1.058856
  H      -5.448972     10.522341     -1.654392
  H      -6.873749     10.062919     -2.637066
  H      -5.418330     10.755397      0.711478
  H      -4.675181     10.446124      3.067515
  H      -5.090246      3.571320      3.249981
  H      -6.665616      6.632132      0.598605
  H     -13.346273      0.282325      1.023268
  H     -12.227658      1.615725      0.601882
  H     -13.196924      1.727504      2.077811
  H     -11.041264      3.040382      1.968919
  H      -9.217335      4.305814      3.118729
  H      -6.336032      0.644153      7.483779
  H      -9.757905     -0.565451      3.956630
  N      -2.554038      2.368399      2.895719
  H      -2.098931      1.582571      2.420786
  H      -1.832308      3.080772      3.038794
  H      -3.224604      2.769155      2.214887
90
Coordinates from ORCA-job orca E -6670.492809042880
  N      -1.959268      0.363668      4.872990
  Mo     -3.514639      1.724656      4.926423
  N      -4.491686      1.246649      6.658618
  C      -3.967885      1.688175      7.950033
  C      -2.466605      1.838680      7.807723
  N      -2.075294      2.432315      6.475382
  C      -0.706513      1.912150      6.119851
  C      -0.792680      0.437611      5.722565
  C      -2.089152      3.940999      6.470499
  C      -3.465014      4.476107      6.124588
  N      -3.970835      3.689884      4.991333
  H       0.124024      0.157990      5.179428
  H      -0.881925     -0.234907      6.589617
  H      -0.354277      2.498227      5.261487
  H      -0.014304      2.070770      6.961462
  H      -4.173475      4.409603      6.964374
  H      -3.401610      5.538385      5.843894
  H      -1.725605      4.322030      7.436395
  H      -1.385780      4.259539      5.688774
  H      -4.185746      0.958401      8.747316
  H      -4.443494      2.637738      8.242573
  H      -2.012040      0.843852      7.860434
  H      -2.031323      2.450471      8.611499
  C      -6.689944      3.554890     -0.407937
  C      -5.807447      2.772191      0.517633
  O      -4.704907      3.213076      0.867465
  C      -6.286088      1.456447      1.037597
  C      -7.514279      0.863583      0.693699
  C      -7.877465     -0.366924      1.235694
  C      -7.027456     -1.000935      2.140618
  F      -7.437422     -2.149442      2.690793
  C      -5.791873     -0.440514      2.514692
  C      -4.825104     -1.099866      3.431084
  O      -4.788443     -2.295941      3.673179
  N      -3.856848     -0.199975      3.951556
  C      -2.699261     -0.655143      4.460280
  C      -5.457126      0.779037      1.929319
  C      -6.512052     10.129777     -1.630539
  C      -6.564546      8.782967     -0.948453
  O      -6.972717      7.785773     -1.537457
  C      -6.096964      8.686600      0.472069
  C      -5.538799      9.773291      1.169017
  C      -5.107275      9.620186      2.481809
  C      -5.223366      8.376142      3.097046
  F      -4.809176      8.279796      4.377976
  C      -5.782397      7.266191      2.441944
  C      -5.946628      5.889620      3.012880
  O      -6.822742      5.142614      2.573765
  N      -5.046407      5.533946      4.018149
  C      -4.735986      4.268741      4.041398
  C      -6.220214      7.460526      1.127630
  C     -12.622597      1.092233      1.411863
  C     -11.493532      0.378483      2.117496
  O     -11.394038     -0.845184      2.086256
  C     -10.483849      1.200199      2.856979
  C     -10.366094      2.589973      2.677722
  C      -9.378012      3.309497      3.340523
  C      -8.511901      2.630376      4.191873
  F      -7.619037      3.367165      4.886416
  C      -8.582278      1.241486      4.391310
  C      -7.663074      0.482738      5.289779
  O      -8.020964     -0.550425      5.849605
  N      -6.365718      0.999538      5.393166
  C      -5.788939      0.909200      6.560365
  C      -9.596832      0.550561      3.721363
  H      -7.588681      3.884815      0.135989
  H      -6.157373      4.439641     -0.771848
  H      -7.024166      2.939983     -1.256115
  H      -8.197848      1.363046      0.007340
  H      -8.831404     -0.839864      0.998168
  H      -2.449461     -1.721090      4.556001
  H      -4.495072      1.214118      2.165517
  H      -7.096126     10.876299     -1.070674
  H      -5.476088     10.501502     -1.676668
  H      -6.909155     10.036215     -2.647112
  H      -5.438373     10.747456      0.690701
  H      -4.683753     10.451898      3.044881
  H      -5.088106      3.585947      3.254703
  H      -6.668245      6.618112      0.599646
  H     -13.296316      0.350954      0.968881
  H     -12.236142      1.749333      0.617498
  H     -13.179047      1.730827      2.113524
  H     -11.044757      3.119684      2.008937
  H      -9.259656      4.385083      3.212720
  H      -6.336307      0.608933      7.469440
  H      -9.684544     -0.527217      3.865689
  N      -2.574092      2.364456      2.895336
  H      -2.112004      1.579525      2.425590
  H      -1.857921      3.082994      3.034951
  H      -3.247289      2.754949      2.209894
90
Coordinates from ORCA-job orca E -6670.493284625899
  N      -1.953612      0.376600      4.867895
  Mo     -3.527192      1.719351      4.935153
  N      -4.476976      1.221538      6.678994
  C      -3.944658      1.646595      7.971122
  C      -2.447349      1.818327      7.810416
  N      -2.084925      2.433725      6.478749
  C      -0.710539      1.942346      6.101943
  C      -0.774642      0.469148      5.698176
  C      -2.125856      3.942083      6.491205
  C      -3.511091      4.456174      6.156972
  N      -4.004238      3.678164      5.012207
  H       0.138583      0.212416      5.138166
  H      -0.835911     -0.209652      6.562549
  H      -0.381075      2.540762      5.242913
  H      -0.010101      2.108422      6.935465
  H      -4.218661      4.365953      6.995303
  H      -3.465437      5.523537      5.891393
  H      -1.763208      4.317036      7.459864
  H      -1.433105      4.283502      5.709518
  H      -4.146254      0.901522      8.758598
  H      -4.425088      2.586974      8.285850
  H      -1.978251      0.829808      7.843694
  H      -2.007720      2.425591      8.615060
  C      -6.753072      3.501228     -0.383919
  C      -5.852496      2.729090      0.533348
  O      -4.754888      3.185535      0.877893
  C      -6.306411      1.402948      1.048636
  C      -7.520753      0.786860      0.699045
  C      -7.867168     -0.448146      1.242983
  C      -7.012086     -1.063359      2.154999
  F      -7.409154     -2.212011      2.713686
  C      -5.785658     -0.483164      2.530770
  C      -4.807075     -1.126693      3.446108
  O      -4.750527     -2.322586      3.686917
  N      -3.851642     -0.212190      3.965369
  C      -2.680199     -0.651515      4.458733
  C      -5.469098      0.740875      1.945010
  C      -6.534122     10.088592     -1.641250
  C      -6.588215      8.745977     -0.951209
  O      -7.000657      7.746511     -1.533351
  C      -6.120297      8.658030      0.470046
  C      -5.561016      9.748153      1.160124
  C      -5.129615      9.603428      2.474046
  C      -5.247821      8.363300      3.096804
  F      -4.834122      8.274144      4.378399
  C      -5.808556      7.249858      2.448374
  C      -5.976902      5.877113      3.027940
  O      -6.853321      5.129437      2.593193
  N      -5.080545      5.524693      4.039281
  C      -4.766526      4.261213      4.060754
  C      -6.245670      7.436396      1.132885
  C     -12.559506      1.222437      1.368719
  C     -11.420859      0.492693      2.041271
  O     -11.300371     -0.726487      1.950618
  C     -10.423949      1.293046      2.820744
  C     -10.303136      2.686975      2.679291
  C      -9.321717      3.388033      3.370628
  C      -8.465439      2.685751      4.214270
  F      -7.579642      3.403858      4.936539
  C      -8.540725      1.293739      4.377835
  C      -7.635112      0.509165      5.266733
  O      -8.003600     -0.535945      5.796606
  N      -6.337475      1.019520      5.399149
  C      -5.772972      0.891022      6.570856
  C      -9.549002      0.620395      3.679219
  H      -7.649065      3.819871      0.171093
  H      -6.236819      4.393097     -0.754189
  H      -7.089023      2.883127     -1.229147
  H      -8.208919      1.273341      0.008040
  H      -8.813692     -0.935949      1.004162
  H      -2.410442     -1.713703      4.541791
  H      -4.516822      1.193578      2.185344
  H      -7.115773     10.839526     -1.084485
  H      -5.497376     10.458033     -1.690596
  H      -6.933347      9.989764     -2.656605
  H      -5.459384     10.719010      0.675484
  H      -4.705064     10.438078      3.031858
  H      -5.114271      3.582563      3.269034
  H      -6.694466      6.590445      0.610908
  H     -13.226219      0.494162      0.894469
  H     -12.181994      1.916724      0.602098
  H     -13.120016      1.825151      2.098100
  H     -10.972921      3.233662      2.015220
  H      -9.200681      4.466321      3.268890
  H      -6.329016      0.566476      7.465886
  H      -9.640236     -0.460052      3.797852
  N      -2.614447      2.368663      2.893558
  H      -2.142332      1.589129      2.424773
  H      -1.908928      3.098871      3.026403
  H      -3.297168      2.745358      2.208636
90
Coordinates from ORCA-job orca E -6670.493885290541
  N      -1.954621      0.385567      4.868694
  Mo     -3.538955      1.719009      4.937581
  N      -4.471799      1.214150      6.690186
  C      -3.933235      1.625429      7.982540
  C      -2.439067      1.808667      7.807871
  N      -2.094240      2.438085      6.477692
  C      -0.716249      1.966882      6.088129
  C      -0.764062      0.493713      5.680185
  C      -2.152308      3.945281      6.502483
  C      -3.544366      4.446149      6.172046
  N      -4.024956      3.675126      5.017698
  H       0.143940      0.252582      5.104890
  H      -0.800702     -0.188828      6.543145
  H      -0.403106      2.572867      5.228199
  H      -0.011010      2.140637      6.915824
  H      -4.252216      4.337258      7.007773
  H      -3.511174      5.516683      5.917396
  H      -1.792731      4.315602      7.474228
  H      -1.463596      4.299622      5.723347
  H      -4.123824      0.869591      8.762432
  H      -4.415426      2.559618      8.313357
  H      -1.962560      0.822798      7.826131
  H      -1.994248      2.411815      8.612620
  C      -6.780488      3.465686     -0.363803
  C      -5.872426      2.691175      0.544635
  O      -4.778289      3.154153      0.891129
  C      -6.315715      1.359475      1.055775
  C      -7.517411      0.725263      0.694964
  C      -7.851896     -0.513610      1.237674
  C      -6.996714     -1.115978      2.158382
  F      -7.381671     -2.269954      2.713713
  C      -5.782118     -0.518490      2.545320
  C      -4.797994     -1.149020      3.465048
  O      -4.727084     -2.344191      3.706590
  N      -3.853255     -0.223750      3.983472
  C      -2.671698     -0.650475      4.463781
  C      -5.478727      0.709784      1.961827
  C      -6.529797     10.094699     -1.642356
  C      -6.588010      8.753143     -0.951142
  O      -7.009960      7.756160     -1.530605
  C      -6.115032      8.663432      0.468483
  C      -5.547053      9.750631      1.155035
  C      -5.110898      9.605230      2.467849
  C      -5.233461      8.366747      3.092890
  F      -4.814247      8.278325      4.372689
  C      -5.802812      7.255688      2.447522
  C      -5.977890      5.884523      3.025942
  O      -6.854690      5.140421      2.585462
  N      -5.088887      5.527928      4.042281
  C      -4.778258      4.263711      4.062750
  C      -6.244429      7.442709      1.133335
  C     -12.553741      1.251794      1.367428
  C     -11.385287      0.533209      1.998603
  O     -11.224855     -0.676501      1.854836
  C     -10.405392      1.331268      2.800559
  C     -10.306417      2.729788      2.691683
  C      -9.336547      3.429665      3.400458
  C      -8.468894      2.721478      4.227577
  F      -7.591908      3.434061      4.965346
  C      -8.525005      1.326611      4.360820
  C      -7.617284      0.536020      5.241655
  O      -7.982308     -0.519885      5.753318
  N      -6.323825      1.053202      5.397316
  C      -5.767962      0.893057      6.571988
  C      -9.522829      0.653563      3.646480
  H      -7.672739      3.780794      0.199791
  H      -6.267977      4.360099     -0.733019
  H      -7.121633      2.852019     -1.210095
  H      -8.205865      1.200669     -0.003640
  H      -8.791994     -1.011308      0.994588
  H      -2.387078     -1.709485      4.536908
  H      -4.536191      1.177101      2.211974
  H      -7.103601     10.849535     -1.082960
  H      -5.491174     10.457288     -1.697708
  H      -6.935618      9.997586     -2.655030
  H      -5.441976     10.720321      0.668574
  H      -4.679177     10.438186      3.022772
  H      -5.120436      3.589410      3.263495
  H      -6.700286      6.597818      0.614857
  H     -13.205797      0.521984      0.875827
  H     -12.207305      1.982990      0.620509
  H     -13.120132      1.812766      2.125343
  H     -10.984879      3.281187      2.040303
  H      -9.232658      4.511237      3.322705
  H      -6.332781      0.551890      7.454733
  H      -9.601132     -0.429646      3.746522
  N      -2.640776      2.363900      2.888592
  H      -2.159539      1.586401      2.425751
  H      -1.944189      3.103775      3.015245
  H      -3.328234      2.727521      2.200675
90
Coordinates from ORCA-job orca E -6670.494239948059
  N      -1.972457      0.398559      4.874144
  Mo     -3.559685      1.724174      4.940288
  N      -4.472458      1.225318      6.700873
  C      -3.931792      1.644804      7.987044
  C      -2.441632      1.838411      7.800827
  N      -2.102131      2.464597      6.466368
  C      -0.725418      1.998530      6.067711
  C      -0.766515      0.521997      5.662753
  C      -2.161538      3.967225      6.484980
  C      -3.563561      4.463717      6.156149
  N      -4.040270      3.685173      5.011021
  H       0.131664      0.279244      5.073433
  H      -0.782848     -0.154497      6.532681
  H      -0.425041      2.604766      5.202592
  H      -0.011072      2.183917      6.884076
  H      -4.258082      4.352302      7.001611
  H      -3.535785      5.531575      5.890040
  H      -1.799154      4.340426      7.455545
  H      -1.470424      4.312479      5.705782
  H      -4.115258      0.891014      8.769995
  H      -4.413624      2.580163      8.317937
  H      -1.953033      0.855398      7.814293
  H      -1.998155      2.449048      8.600386
  C      -6.828204      3.460329     -0.311289
  C      -5.914469      2.669025      0.579970
  O      -4.818054      3.127135      0.923274
  C      -6.348877      1.327363      1.074938
  C      -7.526426      0.665659      0.682779
  C      -7.836122     -0.585385      1.206591
  C      -6.982065     -1.179066      2.135904
  F      -7.340634     -2.354669      2.658944
  C      -5.794428     -0.556051      2.559487
  C      -4.801976     -1.170281      3.487680
  O      -4.712180     -2.364776      3.729523
  N      -3.872311     -0.234504      4.007927
  C      -2.681897     -0.646340      4.477006
  C      -5.518903      0.688865      1.996246
  C      -6.498440     10.148551     -1.616256
  C      -6.583318      8.810810     -0.923424
  O      -7.050296      7.829662     -1.494821
  C      -6.085777      8.703059      0.486754
  C      -5.467521      9.767449      1.159849
  C      -5.007184      9.607036      2.465247
  C      -5.157259      8.374948      3.096099
  F      -4.708093      8.282283      4.364915
  C      -5.777664      7.283290      2.462481
  C      -5.984903      5.917988      3.031116
  O      -6.883395      5.198108      2.587089
  N      -5.094593      5.539728      4.037420
  C      -4.797405      4.271257      4.062192
  C      -6.241428      7.484274      1.156726
  C     -12.557143      1.200241      1.353585
  C     -11.387037      0.497237      1.994968
  O     -11.230253     -0.715847      1.877533
  C     -10.403576      1.302131      2.783228
  C     -10.305521      2.699632      2.667811
  C      -9.335871      3.405518      3.374561
  C      -8.460744      2.701290      4.195726
  F      -7.574620      3.402417      4.931718
  C      -8.517106      1.311310      4.331423
  C      -7.612072      0.531609      5.225979
  O      -7.985358     -0.509680      5.762753
  N      -6.316585      1.051936      5.388410
  C      -5.773555      0.914628      6.576000
  C      -9.518680      0.630525      3.630466
  H      -7.704590      3.775522      0.279061
  H      -6.310413      4.352043     -0.678633
  H      -7.193625      2.864748     -1.160004
  H      -8.215505      1.124367     -0.027217
  H      -8.762732     -1.095218      0.946994
  H      -2.385477     -1.702638      4.540889
  H      -4.599192      1.188187      2.271063
  H      -7.036805     10.919670     -1.045305
  H      -5.451457     10.477100     -1.694183
  H      -6.931059     10.064327     -2.617581
  H      -5.339805     10.732923      0.669122
  H      -4.534004     10.424830      3.009558
  H      -5.160412      3.600256      3.263007
  H      -6.735478      6.654543      0.648436
  H     -13.213728      0.460705      0.885121
  H     -12.210642      1.908182      0.583833
  H     -13.117607      1.786919      2.098339
  H     -10.991930      3.248372      2.021722
  H      -9.239088      4.486517      3.300663
  H      -6.355378      0.607229      7.458485
  H      -9.602338     -0.450117      3.747569
  N      -2.670230      2.339091      2.880626
  H      -2.186792      1.553748      2.433831
  H      -1.978025      3.086679      2.986788
  H      -3.360319      2.688064      2.186631
90
Coordinates from ORCA-job orca E -6670.494856184867
  N      -1.972937      0.388077      4.884443
  Mo     -3.559942      1.716499      4.945849
  N      -4.464606      1.227069      6.716025
  C      -3.911983      1.627729      8.001874
  C      -2.422204      1.815448      7.799430
  N      -2.095326      2.451431      6.466802
  C      -0.719998      1.993429      6.058888
  C      -0.757369      0.516159      5.654249
  C      -2.161453      3.956645      6.497102
  C      -3.565245      4.449981      6.173232
  N      -4.038701      3.677883      5.021550
  H       0.133051      0.280405      5.050048
  H      -0.754050     -0.163076      6.521763
  H      -0.429226      2.599815      5.191175
  H      -0.002042      2.182929      6.871315
  H      -4.259589      4.323280      7.017298
  H      -3.544704      5.520632      5.919835
  H      -1.801131      4.325996      7.469207
  H      -1.473995      4.311938      5.718520
  H      -4.086590      0.865530      8.778968
  H      -4.389369      2.558979      8.348056
  H      -1.941052      0.829854      7.801204
  H      -1.965251      2.418003      8.597806
  C      -6.889186      3.404314     -0.291944
  C      -5.963217      2.626511      0.596253
  O      -4.866625      3.096266      0.925967
  C      -6.385859      1.287377      1.107628
  C      -7.564132      0.616821      0.731489
  C      -7.860776     -0.633267      1.265592
  C      -6.993643     -1.216257      2.190087
  F      -7.339934     -2.391528      2.724576
  C      -5.805787     -0.581962      2.597591
  C      -4.805244     -1.189104      3.519972
  O      -4.712310     -2.382451      3.763649
  N      -3.873817     -0.251346      4.032785
  C      -2.680372     -0.660820      4.489336
  C      -5.542856      0.660976      2.024446
  C      -6.567333     10.138933     -1.606041
  C      -6.639347      8.799509     -0.913140
  O      -7.110391      7.816498     -1.478164
  C      -6.118553      8.691489      0.488033
  C      -5.492386      9.758377      1.152960
  C      -5.012834      9.597351      2.449990
  C      -5.150144      8.364183      3.081761
  F      -4.682318      8.268559      4.343803
  C      -5.776508      7.271729      2.457835
  C      -5.971292      5.905751      3.033549
  O      -6.867018      5.177133      2.595454
  N      -5.080678      5.535039      4.039455
  C      -4.783055      4.265652      4.065759
  C      -6.259826      7.472517      1.159037
  C     -12.470394      1.257911      1.261059
  C     -11.277278      0.570801      1.877508
  O     -11.065311     -0.625593      1.692743
  C     -10.340320      1.375153      2.719676
  C     -10.287085      2.778854      2.660957
  C      -9.354831      3.486082      3.413279
  C      -8.474628      2.780287      4.226799
  F      -7.632806      3.486977      5.010229
  C      -8.487590      1.380567      4.309819
  C      -7.581615      0.592136      5.196046
  O      -7.947717     -0.469094      5.697823
  N      -6.294289      1.116957      5.392211
  C      -5.765366      0.937391      6.581351
  C      -9.451553      0.699469      3.560020
  H      -7.759319      3.729792      0.301267
  H      -6.374896      4.291410     -0.675272
  H      -7.264023      2.795727     -1.126939
  H      -8.262618      1.068074      0.026085
  H      -8.787037     -1.150834      1.018456
  H      -2.378310     -1.715894      4.544438
  H      -4.622142      1.164711      2.288548
  H      -7.096777     10.909416     -1.025866
  H      -5.521784     10.469058     -1.701381
  H      -7.014727     10.055452     -2.601292
  H      -5.374899     10.724961      0.662236
  H      -4.533965     10.415968      2.987938
  H      -5.136746      3.593001      3.266602
  H      -6.760898      6.642520      0.658888
  H     -13.091539      0.516107      0.749210
  H     -12.147936      2.018464      0.532336
  H     -13.061008      1.781110      2.028638
  H     -10.976247      3.330559      2.020788
  H      -9.289360      4.571194      3.379202
  H      -6.356874      0.607249      7.449347
  H      -9.500563     -0.387617      3.630418
  N      -2.677326      2.327810      2.884051
  H      -2.189698      1.544387      2.438384
  H      -1.988831      3.078999      2.989253
  H      -3.369384      2.670677      2.190656
90
Coordinates from ORCA-job orca E -6670.495467335290
  N      -1.959924      0.403874      4.888774
  Mo     -3.567104      1.710282      4.942983
  N      -4.468765      1.206246      6.713386
  C      -3.918047      1.598316      8.003380
  C      -2.430041      1.804604      7.799596
  N      -2.116535      2.456821      6.471413
  C      -0.733761      2.025801      6.062857
  C      -0.745590      0.550430      5.655334
  C      -2.209197      3.963469      6.513707
  C      -3.615029      4.435114      6.185601
  N      -4.069097      3.666199      5.021488
  H       0.147412      0.336473      5.046597
  H      -0.724771     -0.132846      6.518623
  H      -0.452688      2.638830      5.196982
  H      -0.020008      2.224425      6.877502
  H      -4.314741      4.286706      7.022211
  H      -3.611462      5.509011      5.946150
  H      -1.861808      4.331549      7.490285
  H      -1.526327      4.341402      5.740573
  H      -4.080504      0.825870      8.773339
  H      -4.406027      2.519221      8.360417
  H      -1.939702      0.825839      7.794837
  H      -1.977553      2.405704      8.601789
  C      -6.874997      3.332209     -0.325565
  C      -5.942788      2.572145      0.569345
  O      -4.857598      3.062167      0.909341
  C      -6.352150      1.231267      1.085818
  C      -7.514069      0.541086      0.696515
  C      -7.803265     -0.709617      1.236768
  C      -6.941373     -1.273647      2.176376
  F      -7.279891     -2.449761      2.716455
  C      -5.765816     -0.619987      2.591849
  C      -4.765985     -1.214524      3.519048
  O      -4.660531     -2.406677      3.762349
  N      -3.848525     -0.264141      4.034375
  C      -2.647516     -0.655664      4.487761
  C      -5.512568      0.623813      2.017599
  C      -6.544750     10.170128     -1.600449
  C      -6.622747      8.824395     -0.918386
  O      -7.086224      7.844133     -1.494605
  C      -6.111300      8.706986      0.485091
  C      -5.495747      9.772851      1.165149
  C      -5.027829      9.602708      2.463512
  C      -5.164828      8.362614      3.082177
  F      -4.709896      8.253657      4.348171
  C      -5.779419      7.272455      2.443943
  C      -5.971253      5.899521      3.012398
  O      -6.853332      5.166146      2.558220
  N      -5.097169      5.528303      4.031711
  C      -4.798302      4.258640      4.053905
  C      -6.251648      7.482905      1.143030
  C     -12.535309      1.333669      1.348883
  C     -11.337421      0.621826      1.928777
  O     -11.162251     -0.581717      1.750002
  C     -10.360920      1.413584      2.738364
  C     -10.295389      2.816936      2.676199
  C      -9.342222      3.515582      3.407487
  C      -8.453965      2.803152      4.206306
  F      -7.597735      3.509661      4.974627
  C      -8.472744      1.400786      4.288953
  C      -7.567365      0.605510      5.168204
  O      -7.937948     -0.456563      5.663347
  N      -6.278465      1.121446      5.373450
  C      -5.767004      0.927660      6.567365
  C      -9.457402      0.729254      3.557218
  H      -7.748105      3.658772      0.261178
  H      -6.368703      4.220405     -0.717625
  H      -7.243377      2.709992     -1.153348
  H      -8.207802      0.979675     -0.020868
  H      -8.720441     -1.241671      0.981065
  H      -2.326223     -1.705335      4.537740
  H      -4.601592      1.139071      2.290748
  H      -7.079453     10.936397     -1.018884
  H      -5.497969     10.502219     -1.683876
  H      -6.982137     10.094335     -2.601516
  H      -5.378742     10.744393      0.684947
  H      -4.558510     10.418881      3.013198
  H      -5.134060      3.591762      3.248168
  H      -6.744506      6.654816      0.631835
  H     -13.194285      0.602210      0.869296
  H     -12.221159      2.077659      0.600175
  H     -13.082887      1.879556      2.130971
  H     -10.993842      3.374311      2.051765
  H      -9.268261      4.600743      3.369900
  H      -6.369754      0.588672      7.424826
  H      -9.517351     -0.357018      3.632092
  N      -2.686230      2.336959      2.884445
  H      -2.180542      1.562796      2.442696
  H      -2.012528      3.100647      2.994467
  H      -3.379458      2.664603      2.185565
90
Coordinates from ORCA-job orca E -6670.496083292274
  N      -1.975619      0.414755      4.887104
  Mo     -3.591655      1.709302      4.951283
  N      -4.460773      1.202301      6.736284
  C      -3.896170      1.589335      8.020327
  C      -2.413263      1.808521      7.793020
  N      -2.124292      2.468966      6.462076
  C      -0.742898      2.053674      6.031975
  C      -0.745086      0.578147      5.624826
  C      -2.228994      3.972303      6.512546
  C      -3.644043      4.431514      6.200648
  N      -4.097993      3.665412      5.037032
  H       0.136164      0.373551      4.996260
  H      -0.695696     -0.102685      6.489353
  H      -0.482724      2.670546      5.161753
  H      -0.017396      2.261390      6.833689
  H      -4.331254      4.269217      7.044614
  H      -3.652960      5.506542      5.965852
  H      -1.874837      4.336845      7.488518
  H      -1.555615      4.358497      5.735918
  H      -4.042256      0.810184      8.786621
  H      -4.382522      2.506012      8.392395
  H      -1.913546      0.833670      7.773350
  H      -1.952728      2.409464      8.590482
  C      -6.941017      3.299447     -0.279898
  C      -5.998916      2.540216      0.607125
  O      -4.916508      3.036755      0.944678
  C      -6.388734      1.188230      1.109661
  C      -7.529920      0.474750      0.702120
  C      -7.797096     -0.785408      1.230833
  C      -6.934867     -1.336801      2.177539
  F      -7.251863     -2.525250      2.702109
  C      -5.779137     -0.660780      2.612716
  C      -4.770057     -1.238769      3.542434
  O      -4.645280     -2.429740      3.785510
  N      -3.865707     -0.276018      4.056620
  C      -2.652754     -0.652293      4.492506
  C      -5.548561      0.592252      2.048929
  C      -6.545949     10.177456     -1.592981
  C      -6.632949      8.834491     -0.907982
  O      -7.119302      7.861103     -1.476772
  C      -6.110849      8.712971      0.491553
  C      -5.474379      9.770772      1.162524
  C      -4.995237      9.597619      2.457404
  C      -5.143403      8.361524      3.081336
  F      -4.674761      8.252912      4.342199
  C      -5.780034      7.278151      2.451427
  C      -5.985635      5.908709      3.019798
  O      -6.873397      5.183434      2.563240
  N      -5.115743      5.531407      4.040795
  C      -4.828154      4.259692      4.070748
  C      -6.262114      7.491803      1.154443
  C     -12.467276      1.378168      1.284190
  C     -11.282932      0.661322      1.884311
  O     -11.101998     -0.539957      1.695858
  C     -10.315633      1.445601      2.711832
  C     -10.250893      2.849471      2.666196
  C      -9.307347      3.542068      3.416960
  C      -8.424160      2.821479      4.214268
  F      -7.573749      3.514121      5.000358
  C      -8.442559      1.420802      4.278734
  C      -7.547315      0.618606      5.161110
  O      -7.926564     -0.443336      5.650762
  N      -6.259004      1.132165      5.385494
  C      -5.760322      0.932833      6.587056
  C      -9.420850      0.754053      3.533333
  H      -7.807145      3.621002      0.321004
  H      -6.441166      4.190147     -0.674524
  H      -7.318554      2.681283     -1.106482
  H      -8.225572      0.900460     -0.021272
  H      -8.700647     -1.332235      0.961390
  H      -2.315577     -1.697551      4.528377
  H      -4.655175      1.129833      2.336753
  H      -7.063640     10.951182     -1.006096
  H      -5.496321     10.495173     -1.689541
  H      -6.997593     10.105712     -2.587620
  H      -5.348286     10.739120      0.677832
  H      -4.508184     10.408318      2.999879
  H      -5.173149      3.594812      3.263525
  H      -6.770216      6.668183      0.650087
  H     -13.120824      0.650900      0.791690
  H     -12.135286      2.120268      0.540825
  H     -13.025844      1.927969      2.056303
  H     -10.943976      3.412718      2.040600
  H      -9.236434      4.627668      3.394199
  H      -6.373824      0.599915      7.438262
  H      -9.482943     -0.332099      3.600544
  N      -2.737723      2.326370      2.878849
  H      -2.227249      1.552086      2.442870
  H      -2.072182      3.099392      2.972733
  H      -3.440254      2.638960      2.180682
90
Coordinates from ORCA-job orca E -6670.496735326882
  N      -1.999730      0.414306      4.894316
  Mo     -3.617300      1.706125      4.963401
  N      -4.457660      1.213256      6.764494
  C      -3.875942      1.603361      8.039179
  C      -2.396061      1.822167      7.787296
  N      -2.125372      2.478570      6.449854
  C      -0.749485      2.064158      6.002862
  C      -0.754620      0.586774      5.604991
  C      -2.229943      3.980786      6.498971
  C      -3.649674      4.435913      6.203637
  N      -4.113686      3.668001      5.046529
  H       0.114425      0.380791      4.960060
  H      -0.684832     -0.087785      6.473044
  H      -0.502986      2.676320      5.125174
  H      -0.012397      2.278815      6.792185
  H      -4.322722      4.268739      7.057904
  H      -3.665414      5.510757      5.968828
  H      -1.866271      4.346231      7.471257
  H      -1.565240      4.366640      5.714960
  H      -4.007792      0.824858      8.808598
  H      -4.356678      2.520596      8.417747
  H      -1.897059      0.846902      7.762791
  H      -1.923648      2.425354      8.575965
  C      -7.009625      3.250609     -0.259168
  C      -6.055618      2.497963      0.621150
  O      -4.974176      3.002410      0.949148
  C      -6.431518      1.143985      1.127538
  C      -7.559723      0.413515      0.714611
  C      -7.809801     -0.850701      1.241699
  C      -6.945391     -1.389482      2.193079
  F      -7.243184     -2.586916      2.708064
  C      -5.804150     -0.694283      2.638039
  C      -4.790028     -1.259127      3.570866
  O      -4.655042     -2.449016      3.815702
  N      -3.892641     -0.290043      4.085129
  C      -2.671773     -0.657054      4.506062
  C      -5.589957      0.562125      2.074895
  C      -6.562654     10.220979     -1.562684
  C      -6.655862      8.876184     -0.882279
  O      -7.166756      7.912878     -1.446580
  C      -6.111505      8.741159      0.507607
  C      -5.450937      9.787985      1.172331
  C      -4.951670      9.602636      2.457809
  C      -5.104446      8.365485      3.078674
  F      -4.614311      8.246631      4.330478
  C      -5.765071      7.292438      2.454903
  C      -5.977882      5.922410      3.020913
  O      -6.871737      5.203724      2.565169
  N      -5.110153      5.539010      4.040566
  C      -4.840756      4.263492      4.080176
  C      -6.265942      7.518697      1.167235
  C     -12.382739      1.383403      1.196981
  C     -11.223924      0.664844      1.844349
  O     -11.050883     -0.541049      1.681905
  C     -10.270520      1.454624      2.683387
  C     -10.218035      2.859291      2.646886
  C      -9.291064      3.556744      3.414227
  C      -8.408751      2.840005      4.215832
  F      -7.571136      3.534884      5.013719
  C      -8.415345      1.438970      4.271318
  C      -7.526215      0.639030      5.160643
  O      -7.907755     -0.424160      5.646039
  N      -6.240821      1.152095      5.403511
  C      -5.758464      0.957313      6.614489
  C      -9.380196      0.767527      3.512850
  H      -7.862825      3.581933      0.355236
  H      -6.512979      4.135537     -0.670605
  H      -7.405902      2.626968     -1.072508
  H      -8.257318      0.825845     -0.014404
  H      -8.700468     -1.411698      0.960802
  H      -2.324945     -1.699475      4.531166
  H      -4.709101      1.116047      2.370259
  H      -7.059843     10.998876     -0.963611
  H      -5.510752     10.525101     -1.676354
  H      -7.032881     10.159684     -2.549416
  H      -5.321178     10.756963      0.689944
  H      -4.445072     10.404481      2.995470
  H      -5.198771      3.598226      3.277570
  H      -6.791531      6.703323      0.667527
  H     -13.032737      0.653245      0.704220
  H     -12.020170      2.102724      0.445342
  H     -12.954460      1.959000      1.940123
  H     -10.906966      3.419997      2.014372
  H      -9.230815      4.643292      3.399361
  H      -6.384018      0.640903      7.462570
  H      -9.433882     -0.319144      3.572948
  N      -2.781693      2.304718      2.878588
  H      -2.269144      1.527046      2.451261
  H      -2.120622      3.083337      2.956985
  H      -3.490531      2.603305      2.179711
90
Coordinates from ORCA-job orca E -6670.497404519155
  N      -2.019621      0.417901      4.899128
  Mo     -3.644804      1.699872      4.972004
  N      -4.455793      1.216643      6.789613
  C      -3.857555      1.607885      8.055177
  C      -2.381666      1.829185      7.778952
  N      -2.132006      2.486223      6.437985
  C      -0.759994      2.080024      5.975034
  C      -0.761987      0.601283      5.583368
  C      -2.243013      3.987820      6.491520
  C      -3.668173      4.434781      6.211426
  N      -4.138383      3.666817      5.057633
  H       0.095422      0.398947      4.921745
  H      -0.669836     -0.069986      6.451730
  H      -0.528599      2.689999      5.091903
  H      -0.014080      2.302797      6.753877
  H      -4.329509      4.257446      7.072932
  H      -3.695147      5.510153      5.981284
  H      -1.873395      4.352837      7.461567
  H      -1.587792      4.379668      5.702410
  H      -3.971678      0.827977      8.825977
  H      -4.335556      2.522777      8.441802
  H      -1.882747      0.854275      7.748530
  H      -1.898337      2.433433      8.560211
  C      -7.071053      3.205935     -0.234541
  C      -6.101465      2.456151      0.630449
  O      -5.019607      2.967393      0.946958
  C      -6.461911      1.099000      1.138324
  C      -7.579814      0.353928      0.723617
  C      -7.813943     -0.913492      1.251019
  C      -6.945434     -1.440351      2.204972
  F      -7.227493     -2.642647      2.717524
  C      -5.815354     -0.728438      2.653447
  C      -4.796812     -1.281833      3.587690
  O      -4.650975     -2.470505      3.832008
  N      -3.908871     -0.305820      4.104247
  C      -2.680180     -0.660193      4.509616
  C      -5.615919      0.529832      2.089400
  C      -6.564638     10.257170     -1.540493
  C      -6.667159      8.911075     -0.863253
  O      -7.193579      7.955326     -1.425807
  C      -6.106741      8.764391      0.518997
  C      -5.428508      9.802841      1.180417
  C      -4.915787      9.606592      2.458352
  C      -5.072978      8.368082      3.075748
  F      -4.567594      8.238939      4.320609
  C      -5.751088      7.303802      2.456024
  C      -5.971179      5.933492      3.021430
  O      -6.867780      5.219893      2.562121
  N      -5.109710      5.544608      4.043088
  C      -4.857783      4.264740      4.089377
  C      -6.263585      7.540820      1.174919
  C     -12.318612      1.391354      1.135463
  C     -11.179355      0.671614      1.817052
  O     -11.020641     -0.539272      1.682939
  C     -10.234734      1.467200      2.661093
  C     -10.191615      2.872428      2.628755
  C      -9.278428      3.574116      3.408314
  C      -8.397548      2.861750      4.214820
  F      -7.574408      3.561346      5.023721
  C      -8.391923      1.459550      4.264291
  C      -7.506171      0.662954      5.159195
  O      -7.890154     -0.398967      5.645167
  N      -6.222800      1.173856      5.418463
  C      -5.756739      0.975617      6.637524
  C      -9.346318      0.784613      3.496389
  H      -7.906968      3.548851      0.397528
  H      -6.578771      4.085028     -0.663283
  H      -7.491239      2.578738     -1.032504
  H      -8.281527      0.755535     -0.007236
  H      -8.694300     -1.486857      0.963867
  H      -2.319002     -1.697919      4.519022
  H      -4.745089      1.096447      2.390041
  H      -7.046400     11.039238     -0.934259
  H      -5.510366     10.549414     -1.664386
  H      -7.045295     10.204536     -2.522818
  H      -5.295474     10.772858      0.701198
  H      -4.394870     10.400935      2.993342
  H      -5.222334      3.600170      3.289559
  H      -6.801273      6.732024      0.677498
  H     -12.970221      0.657834      0.649634
  H     -11.933634      2.087572      0.373306
  H     -12.895617      1.991237      1.854622
  H     -10.877591      3.430639      1.990975
  H      -9.227063      4.661142      3.399027
  H      -6.394625      0.671143      7.480350
  H      -9.393771     -0.302491      3.551362
  N      -2.822601      2.295725      2.881617
  H      -2.304701      1.519519      2.458140
  H      -2.167868      3.080340      2.953395
  H      -3.535607      2.583784      2.182618
90
Coordinates from ORCA-job orca E -6670.498090263402
  N      -2.046834      0.419733      4.902535
  Mo     -3.680718      1.692297      4.983002
  N      -4.454674      1.222342      6.820634
  C      -3.838427      1.621859      8.073696
  C      -2.366694      1.842846      7.770986
  N      -2.139761      2.494408      6.423757
  C      -0.773750      2.091342      5.943658
  C      -0.777474      0.611155      5.561323
  C      -2.253307      3.996074      6.476869
  C      -3.682098      4.437205      6.216133
  N      -4.165891      3.667691      5.069282
  H       0.068386      0.408951      4.884759
  H      -0.667308     -0.056088      6.430369
  H      -0.556545      2.696835      5.054126
  H      -0.017867      2.320524      6.711200
  H      -4.330882      4.255932      7.086565
  H      -3.718298      5.512558      5.988060
  H      -1.873270      4.363572      7.441626
  H      -1.610463      4.390576      5.678543
  H      -3.934551      0.845115      8.850245
  H      -4.313492      2.536426      8.463057
  H      -1.869934      0.867555      7.739925
  H      -1.871335      2.450717      8.541907
  C      -7.129645      3.160340     -0.220830
  C      -6.144304      2.414693      0.628653
  O      -5.063670      2.934138      0.936600
  C      -6.489055      1.054116      1.137405
  C      -7.595477      0.294832      0.719047
  C      -7.818677     -0.973958      1.250198
  C      -6.950183     -1.487109      2.210533
  F      -7.221085     -2.690491      2.726518
  C      -5.830291     -0.759727      2.661350
  C      -4.809557     -1.303669      3.597279
  O      -4.652192     -2.491402      3.838098
  N      -3.932460     -0.320934      4.119497
  C      -2.695537     -0.663305      4.509169
  C      -5.641260      0.498796      2.095184
  C      -6.551440     10.293885     -1.521110
  C      -6.656933      8.944676     -0.849522
  O      -7.191705      7.994234     -1.412807
  C      -6.092507      8.790557      0.530188
  C      -5.409471      9.825424      1.194252
  C      -4.893688      9.621659      2.468973
  C      -5.053145      8.380637      3.081397
  F      -4.544149      8.244052      4.324256
  C      -5.736711      7.320906      2.460129
  C      -5.961818      5.949438      3.024528
  O      -6.858560      5.239163      2.559959
  N      -5.108328      5.555442      4.049877
  C      -4.878570      4.270408      4.100920
  C      -6.250112      7.565410      1.180999
  C     -12.254544      1.391973      1.084378
  C     -11.144948      0.667396      1.810487
  O     -11.002501     -0.547628      1.703125
  C     -10.203516      1.469623      2.653072
  C     -10.169108      2.875187      2.620989
  C      -9.265571      3.581575      3.406355
  C      -8.382447      2.874740      4.215026
  F      -7.569537      3.583572      5.026235
  C      -8.364459      1.471161      4.262822
  C      -7.479956      0.678380      5.161237
  O      -7.864664     -0.382572      5.647859
  N      -6.199099      1.188079      5.436724
  C      -5.753989      0.991859      6.666333
  C      -9.312867      0.792457      3.490960
  H      -7.947598      3.516939      0.427188
  H      -6.643537      4.033129     -0.669220
  H      -7.573617      2.527437     -1.000801
  H      -8.298071      0.685796     -0.016492
  H      -8.688931     -1.559586      0.955996
  H      -2.320354     -1.696043      4.501308
  H      -4.779706      1.074836      2.402993
  H      -7.028799     11.075238     -0.910393
  H      -5.496507     10.583602     -1.647044
  H      -7.034495     10.247257     -2.502780
  H      -5.275086     10.797354      0.719499
  H      -4.368521     10.411880      3.005960
  H      -5.253024      3.607777      3.306764
  H      -6.789203      6.759310      0.680644
  H     -12.907677      0.657325      0.601728
  H     -11.837853      2.061531      0.315171
  H     -12.839208      2.018549      1.773240
  H     -10.855084      3.429972      1.980460
  H      -9.223065      4.669227      3.400000
  H      -6.405640      0.700419      7.503003
  H      -9.355494     -0.295010      3.543227
  N      -2.869937      2.288654      2.887588
  H      -2.347859      1.513745      2.466960
  H      -2.219688      3.077154      2.956474
  H      -3.584966      2.568955      2.187800
90
Coordinates from ORCA-job orca E -6670.498806099608
  N      -2.072103      0.429512      4.901446
  Mo     -3.720848      1.686452      4.990664
  N      -4.452001      1.223047      6.848722
  C      -3.819005      1.625305      8.090471
  C      -2.353766      1.853100      7.759260
  N      -2.154986      2.506409      6.408940
  C      -0.793141      2.115871      5.908711
  C      -0.790741      0.634457      5.531630
  C      -2.279558      4.006553      6.467701
  C      -3.715241      4.435450      6.226938
  N      -4.206657      3.667598      5.082825
  H       0.042304      0.437252      4.837814
  H      -0.656929     -0.029823      6.399599
  H      -0.595704      2.721009      5.014556
  H      -0.028202      2.354309      6.664325
  H      -4.352056      4.244252      7.104144
  H      -3.765567      5.511352      6.004595
  H      -1.890804      4.375077      7.428444
  H      -1.650425      4.408767      5.662300
  H      -3.894746      0.847097      8.867875
  H      -4.293136      2.536163      8.488477
  H      -1.855225      0.879039      7.720156
  H      -1.846453      2.462415      8.521258
  C      -7.169686      3.121690     -0.214085
  C      -6.174033      2.378290      0.624793
  O      -5.097083      2.906155      0.931616
  C      -6.505457      1.013501      1.131322
  C      -7.600687      0.241203      0.707815
  C      -7.813253     -1.029662      1.239491
  C      -6.944887     -1.531856      2.205376
  F      -7.204724     -2.736899      2.722348
  C      -5.836011     -0.790779      2.661051
  C      -4.813186     -1.325187      3.600074
  O      -4.640989     -2.511698      3.835866
  N      -3.950746     -0.334223      4.129280
  C      -2.704753     -0.660595      4.502356
  C      -5.657025      0.469206      2.095130
  C      -6.498856     10.322637     -1.513619
  C      -6.619555      8.973531     -0.844023
  O      -7.153310      8.026487     -1.413783
  C      -6.063265      8.813096      0.538220
  C      -5.378759      9.843284      1.208303
  C      -4.870820      9.633621      2.485131
  C      -5.040362      8.392079      3.093983
  F      -4.537997      8.250082      4.339052
  C      -5.727168      7.337794      2.467706
  C      -5.965953      5.967916      3.030162
  O      -6.865730      5.265759      2.557746
  N      -5.122031      5.565441      4.059308
  C      -4.911728      4.275802      4.114206
  C      -6.230476      7.587464      1.185475
  C     -12.233058      1.375219      1.081813
  C     -11.121864      0.658213      1.813483
  O     -10.985228     -0.558760      1.724696
  C     -10.183684      1.468671      2.651973
  C     -10.163199      2.874546      2.622451
  C      -9.264244      3.587139      3.406852
  C      -8.371564      2.887145      4.210706
  F      -7.565025      3.603023      5.021502
  C      -8.337656      1.483716      4.255263
  C      -7.449619      0.697162      5.154525
  O      -7.832160     -0.363716      5.642846
  N      -6.173259      1.210894      5.449449
  C      -5.749240      1.003132      6.688300
  C      -9.282844      0.798553      3.484931
  H      -7.973465      3.490423      0.445280
  H      -6.686816      3.988861     -0.676673
  H      -7.631971      2.485740     -0.980272
  H      -8.303578      0.622910     -0.032379
  H      -8.674883     -1.625418      0.940071
  H      -2.311406     -1.686096      4.473467
  H      -4.803824      1.052848      2.411410
  H      -6.977037     11.106767     -0.907179
  H      -5.441044     10.605992     -1.629812
  H      -6.972876     10.279679     -2.499870
  H      -5.237052     10.815770      0.736809
  H      -4.344054     10.419601      3.026754
  H      -5.291595      3.614550      3.321898
  H      -6.768925      6.784440      0.679563
  H     -12.887385      0.634240      0.610327
  H     -11.817215      2.034591      0.303542
  H     -12.817339      2.009597      1.763672
  H     -10.856629      3.424813      1.986115
  H      -9.233054      4.675067      3.404200
  H      -6.415757      0.714975      7.513779
  H      -9.317809     -0.289354      3.534958
  N      -2.920895      2.291417      2.893109
  H      -2.390261      1.521754      2.473549
  H      -2.278842      3.086377      2.963951
  H      -3.636971      2.563799      2.191664
90
Coordinates from ORCA-job orca E -6670.499523295429
  N      -2.106444      0.437482      4.899979
  Mo     -3.770171      1.680262      4.999679
  N      -4.446953      1.228050      6.882579
  C      -3.797888      1.639989      8.109986
  C      -2.340345      1.873359      7.747647
  N      -2.171867      2.521787      6.391017
  C      -0.816395      2.137970      5.868588
  C      -0.812785      0.654429      5.500964
  C      -2.303828      4.019845      6.449268
  C      -3.746168      4.438961      6.233331
  N      -4.252628      3.669778      5.097526
  H       0.006416      0.455888      4.791276
  H      -0.658727     -0.003738      6.370374
  H      -0.638989      2.740335      4.968488
  H      -0.040417      2.385222      6.609896
  H      -4.369175      4.247389      7.120382
  H      -3.807014      5.514375      6.010465
  H      -1.899912      4.393099      7.401975
  H      -1.691570      4.424577      5.632262
  H      -3.855310      0.865395      8.892556
  H      -4.270220      2.550284      8.511145
  H      -1.839202      0.900637      7.703604
  H      -1.820519      2.487462      8.497278
  C      -7.205657      3.090151     -0.212124
  C      -6.203994      2.350189      0.622816
  O      -5.134555      2.888212      0.937363
  C      -6.521848      0.978277      1.120363
  C      -7.603331      0.193588      0.685539
  C      -7.808857     -1.079703      1.214912
  C      -6.945274     -1.572534      2.189902
  F      -7.198527     -2.778153      2.708375
  C      -5.847978     -0.820356      2.654426
  C      -4.824195     -1.346134      3.598314
  O      -4.635961     -2.531421      3.827704
  N      -3.978091     -0.346785      4.136433
  C      -2.723547     -0.658162      4.493979
  C      -5.676145      0.442113      2.091567
  C      -6.423306     10.349591     -1.509991
  C      -6.558788      8.999946     -0.844529
  O      -7.086174      8.055462     -1.424558
  C      -6.024249      8.835262      0.545756
  C      -5.347845      9.862115      1.227958
  C      -4.859880      9.648708      2.512379
  C      -5.042259      8.406649      3.116387
  F      -4.559225      8.261743      4.368778
  C      -5.723211      7.355826      2.478408
  C      -5.977394      5.987687      3.035703
  O      -6.880298      5.294347      2.554455
  N      -5.142599      5.577077      4.068784
  C      -4.954748      4.283032      4.130880
  C      -6.205095      7.608588      1.188358
  C     -12.215672      1.347405      1.096257
  C     -11.102411      0.638754      1.831982
  O     -10.967254     -0.579433      1.756984
  C     -10.161706      1.456777      2.660107
  C     -10.155357      2.862764      2.632342
  C      -9.256464      3.582026      3.410396
  C      -8.350664      2.888896      4.205617
  F      -7.549874      3.610706      5.015748
  C      -8.299880      1.486407      4.245823
  C      -7.407660      0.705971      5.145271
  O      -7.789265     -0.353299      5.637225
  N      -6.135625      1.225967      5.460436
  C      -5.740578      1.013360      6.713163
  C      -9.245512      0.793553      3.481846
  H      -8.001389      3.465429      0.453649
  H      -6.726539      3.954788     -0.683479
  H      -7.677495      2.452043     -0.970173
  H      -8.302468      0.567520     -0.062310
  H      -8.661089     -1.684916      0.907578
  H      -2.312750     -1.675787      4.442455
  H      -4.831544      1.031329      2.419814
  H      -6.909895     11.133896     -0.910617
  H      -5.363183     10.630679     -1.607981
  H      -6.880976     10.309176     -2.503935
  H      -5.196926     10.835278      0.760576
  H      -4.339237     10.432110      3.063647
  H      -5.346271      3.621998      3.343730
  H      -6.736208      6.807469      0.671913
  H     -12.869411      0.600874      0.632808
  H     -11.801625      2.000263      0.311629
  H     -12.801127      1.986119      1.773255
  H     -10.860993      3.407788      2.004982
  H      -9.237251      4.670158      3.412021
  H      -6.426228      0.730161      7.523809
  H      -9.272981     -0.294656      3.531150
  N      -2.981671      2.294923      2.899982
  H      -2.443723      1.530880      2.479336
  H      -2.346720      3.095042      2.975422
  H      -3.698081      2.562511      2.196815
90
Coordinates from ORCA-job orca E -6670.500071252422
  N      -2.132865      0.442962      4.901961
  Mo     -3.807200      1.676354      5.007767
  N      -4.441756      1.234201      6.909804
  C      -3.776971      1.650582      8.125775
  C      -2.326485      1.888733      7.737044
  N      -2.182889      2.534921      6.375904
  C      -0.833425      2.156909      5.833828
  C      -0.827978      0.671863      5.474266
  C      -2.321215      4.030622      6.433994
  C      -3.769483      4.441189      6.239444
  N      -4.286410      3.671164      5.110095
  H      -0.022698      0.471787      4.749305
  H      -0.652090      0.021035      6.345289
  H      -0.673974      2.756690      4.928444
  H      -0.046932      2.412532      6.561124
  H      -4.378189      4.246674      7.135679
  H      -3.838972      5.516309      6.016861
  H      -1.904449      4.407430      7.380028
  H      -1.723302      4.437705      5.607725
  H      -3.820579      0.877814      8.910890
  H      -4.245094      2.561167      8.532177
  H      -1.822553      0.917627      7.685348
  H      -1.795700      2.505744      8.476503
  C      -7.249047      3.049749     -0.213850
  C      -6.243265      2.319754      0.625727
  O      -5.185215      2.872852      0.951214
  C      -6.545010      0.941454      1.116408
  C      -7.611024      0.141944      0.670822
  C      -7.804419     -1.134117      1.197131
  C      -6.943392     -1.616347      2.180165
  F      -7.184024     -2.826826      2.694169
  C      -5.859798     -0.850759      2.654635
  C      -4.832316     -1.364703      3.602752
  O      -4.630153     -2.548651      3.829120
  N      -4.000015     -0.357821      4.147681
  C      -2.737941     -0.656418      4.492349
  C      -5.700969      0.415147      2.094708
  C      -6.377414     10.377760     -1.498175
  C      -6.524496      9.028099     -0.835659
  O      -7.060318      8.089774     -1.418170
  C      -5.996557      8.856875      0.556309
  C      -5.314529      9.876725      1.242107
  C      -4.833279      9.658109      2.528640
  C      -5.028098      8.417119      3.130727
  F      -4.551622      8.268701      4.385216
  C      -5.715012      7.372333      2.488485
  C      -5.984203      6.006166      3.041971
  O      -6.897644      5.325201      2.561793
  N      -5.151950      5.585888      4.072633
  C      -4.982665      4.289544      4.141855
  C      -6.190547      7.630358      1.196995
  C     -12.181543      1.330193      1.082348
  C     -11.073384      0.628948      1.831290
  O     -10.932102     -0.589125      1.761112
  C     -10.137404      1.452620      2.658774
  C     -10.143404      2.858808      2.634360
  C      -9.252929      3.584569      3.416586
  C      -8.342415      2.897189      4.211446
  F      -7.552533      3.620631      5.030359
  C      -8.276827      1.495679      4.244381
  C      -7.385767      0.721206      5.149319
  O      -7.769559     -0.334584      5.646551
  N      -6.114373      1.243831      5.475386
  C      -5.736407      1.033903      6.738232
  C      -9.215803      0.795251      3.478582
  H      -8.043145      3.426145      0.453355
  H      -6.774061      3.913295     -0.691519
  H      -7.721596      2.406807     -0.967234
  H      -8.307882      0.505983     -0.084043
  H      -8.645006     -1.750581      0.881708
  H      -2.313510     -1.667298      4.423007
  H      -4.868097      1.015664      2.432226
  H      -6.859490     11.164331     -0.898207
  H      -5.315153     10.650739     -1.593137
  H      -6.833697     10.342771     -2.492795
  H      -5.154134     10.849187      0.776305
  H      -4.308669     10.436750      3.082957
  H      -5.386574      3.630388      3.358433
  H      -6.727316      6.834718      0.677861
  H     -12.828312      0.580129      0.615350
  H     -11.762236      1.981731      0.299173
  H     -12.775385      1.969845      1.751483
  H     -10.854034      3.398817      2.008236
  H      -9.244302      4.672762      3.422876
  H      -6.435452      0.762588      7.540667
  H      -9.234506     -0.292917      3.526209
  N      -3.031842      2.291293      2.904640
  H      -2.486771      1.531769      2.484890
  H      -2.404391      3.097371      2.979453
  H      -3.750701      2.551754      2.200237
90
Coordinates from ORCA-job orca E -6670.500495391982
  N      -2.152127      0.444064      4.907230
  Mo     -3.830554      1.674732      5.012236
  N      -4.440657      1.243742      6.927760
  C      -3.762137      1.668001      8.133498
  C      -2.315829      1.905296      7.726958
  N      -2.186001      2.545794      6.361424
  C      -0.842312      2.167655      5.806375
  C      -0.838426      0.681291      5.455405
  C      -2.324249      4.040107      6.416279
  C      -3.775149      4.447860      6.238115
  N      -4.302689      3.674038      5.117594
  H      -0.045058      0.477141      4.718560
  H      -0.645140      0.038086      6.328499
  H      -0.693824      2.763239      4.896172
  H      -0.047242      2.428829      6.522463
  H      -4.371619      4.254629      7.142847
  H      -3.847894      5.522217      6.012933
  H      -1.896148      4.420293      7.356103
  H      -1.737111      4.446135      5.581772
  H      -3.796776      0.900224      8.923710
  H      -4.225607      2.581330      8.539708
  H      -1.811275      0.934692      7.673305
  H      -1.777662      2.525711      8.458185
  C      -7.285308      2.995301     -0.232077
  C      -6.281442      2.284269      0.626452
  O      -5.236589      2.854316      0.964389
  C      -6.569425      0.903255      1.116947
  C      -7.622665      0.090317      0.665323
  C      -7.805183     -1.186137      1.193666
  C      -6.944213     -1.656836      2.182558
  F      -7.171029     -2.872168      2.692659
  C      -5.872720     -0.877851      2.663321
  C      -4.839533     -1.379901      3.611681
  O      -4.626218     -2.562687      3.835963
  N      -4.016562     -0.366988      4.159625
  C      -2.748521     -0.656481      4.493243
  C      -5.727191      0.389545      2.103191
  C      -6.359094     10.418999     -1.474782
  C      -6.512816      9.067133     -0.818364
  O      -7.058918      8.135929     -1.403025
  C      -5.980248      8.885269      0.570439
  C      -5.288619      9.896856      1.258640
  C      -4.805126      9.668957      2.542620
  C      -5.006423      8.426604      3.139660
  F      -4.528118      8.270190      4.392514
  C      -5.701577      7.388926      2.494170
  C      -5.978881      6.021707      3.042736
  O      -6.901671      5.350327      2.567243
  N      -5.145150      5.592902      4.068261
  C      -4.992534      4.295307      4.145140
  C      -6.180539      7.657001      1.206057
  C     -12.135438      1.322821      1.044393
  C     -11.044836      0.622480      1.818970
  O     -10.908798     -0.596938      1.762257
  C     -10.117903      1.448336      2.654795
  C     -10.128001      2.854798      2.631000
  C      -9.249016      3.584104      3.423322
  C      -8.345415      2.899302      4.228089
  F      -7.566905      3.622903      5.057953
  C      -8.274954      1.497825      4.258668
  C      -7.392023      0.727814      5.175054
  O      -7.783259     -0.318856      5.684468
  N      -6.116219      1.246628      5.496135
  C      -5.738558      1.054767      6.764040
  C      -9.203339      0.793444      3.483849
  H      -8.086744      3.372244      0.425698
  H      -6.813183      3.856533     -0.716907
  H      -7.747691      2.340475     -0.981437
  H      -8.317496      0.443391     -0.096445
  H      -8.634121     -1.814481      0.871668
  H      -2.315140     -1.662557      4.411093
  H      -4.905786      1.003457      2.445013
  H      -6.832247     11.205830     -0.867964
  H      -5.295217     10.684399     -1.573461
  H      -6.820706     10.392515     -2.467213
  H      -5.123033     10.870341      0.796893
  H      -4.273925     10.441540      3.099095
  H      -5.410130      3.638213      3.366455
  H      -6.726718      6.868874      0.685693
  H     -12.776312      0.573062      0.569126
  H     -11.698276      1.968083      0.265649
  H     -12.739067      1.969836      1.697660
  H     -10.832982      3.392004      1.996139
  H      -9.243335      4.672514      3.429775
  H      -6.440986      0.803751      7.569877
  H      -9.216854     -0.294743      3.530254
  N      -3.071564      2.282910      2.903986
  H      -2.521595      1.526575      2.484801
  H      -2.450885      3.094833      2.972285
  H      -3.796383      2.534886      2.201764
90
Coordinates from ORCA-job orca E -6670.500804384144
  N      -2.156918      0.446231      4.913668
  Mo     -3.845376      1.668378      5.015158
  N      -4.440414      1.244148      6.938975
  C      -3.753394      1.672406      8.138813
  C      -2.311112      1.915668      7.719008
  N      -2.193549      2.556055      6.352361
  C      -0.852011      2.187874      5.786909
  C      -0.837303      0.700609      5.439400
  C      -2.342764      4.048748      6.405301
  C      -3.797972      4.444706      6.234645
  N      -4.325134      3.666893      5.115833
  H      -0.053577      0.501756      4.690861
  H      -0.621353      0.063071      6.311497
  H      -0.717398      2.782433      4.873827
  H      -0.052672      2.458484      6.494707
  H      -4.387027      4.244835      7.142704
  H      -3.880723      5.518440      6.010675
  H      -1.911511      4.434810      7.341313
  H      -1.765202      4.458362      5.565817
  H      -3.777244      0.904690      8.929366
  H      -4.217928      2.583219      8.549285
  H      -1.803540      0.947003      7.660943
  H      -1.769219      2.538321      8.445565
  C      -7.304660      2.926376     -0.259606
  C      -6.306609      2.236739      0.623252
  O      -5.276276      2.825644      0.973701
  C      -6.583699      0.856746      1.121276
  C      -7.630032      0.032388      0.673139
  C      -7.800568     -1.242799      1.207027
  C      -6.932196     -1.703042      2.194585
  F      -7.143028     -2.921990      2.703022
  C      -5.870084     -0.911179      2.674966
  C      -4.828662     -1.401106      3.620300
  O      -4.602222     -2.582511      3.840583
  N      -4.016248     -0.381492      4.170772
  C      -2.742454     -0.657653      4.494128
  C      -5.738923      0.356116      2.111817
  C      -6.350814     10.449286     -1.454191
  C      -6.510232      9.094980     -0.804137
  O      -7.067121      8.171243     -1.390311
  C      -5.974364      8.902529      0.581755
  C      -5.273009      9.905779      1.272673
  C      -4.787584      9.668281      2.554053
  C      -4.995649      8.424449      3.145611
  F      -4.515936      8.258190      4.396802
  C      -5.699038      7.394547      2.496735
  C      -5.983917      6.026711      3.041349
  O      -6.916597      5.364964      2.571918
  N      -5.147023      5.588500      4.059490
  C      -5.003477      4.290609      4.138464
  C      -6.181653      7.672635      1.212190
  C     -12.107758      1.359557      1.024494
  C     -11.021336      0.653893      1.799918
  O     -10.880301     -0.564369      1.729769
  C     -10.098757      1.474203      2.646235
  C     -10.114173      2.880862      2.637106
  C      -9.242810      3.606224      3.441623
  C      -8.342040      2.917319      4.245842
  F      -7.570198      3.635435      5.087686
  C      -8.267074      1.515369      4.262294
  C      -7.392960      0.740508      5.183324
  O      -7.789595     -0.305240      5.689607
  N      -6.116923      1.253578      5.510378
  C      -5.739270      1.060442      6.778606
  C      -9.186181      0.814678      3.473423
  H      -8.119359      3.304003      0.380971
  H      -6.832142      3.784942     -0.748929
  H      -7.750691      2.257660     -1.006662
  H      -8.327727      0.375212     -0.090698
  H      -8.623196     -1.881093      0.887801
  H      -2.297216     -1.657696      4.401928
  H      -4.926120      0.981353      2.453489
  H      -6.816209     11.235973     -0.841219
  H      -5.285623     10.708132     -1.556162
  H      -6.816964     10.430867     -2.444670
  H      -5.101474     10.880166      0.814950
  H      -4.249709     10.434715      3.112733
  H      -5.424252      3.634868      3.360839
  H      -6.737976      6.892607      0.690521
  H     -12.740481      0.614087      0.531966
  H     -11.667678      2.019573      0.259813
  H     -12.719980      1.993967      1.682104
  H     -10.817901      3.421250      2.003544
  H      -9.239775      4.694397      3.456990
  H      -6.443911      0.817876      7.585250
  H      -9.193322     -0.274141      3.508492
  N      -3.097842      2.272002      2.904982
  H      -2.536095      1.522985      2.488357
  H      -2.489472      3.093509      2.970682
  H      -3.826938      2.511329      2.202499
90
Coordinates from ORCA-job orca E -6670.501020521010
  N      -2.170849      0.441791      4.924929
  Mo     -3.860836      1.665318      5.016275
  N      -4.444325      1.253453      6.948912
  C      -3.749612      1.693898      8.139990
  C      -2.308924      1.931515      7.711350
  N      -2.196277      2.564680      6.341737
  C      -0.859133      2.193935      5.769191
  C      -0.845422      0.704794      5.430830
  C      -2.343811      4.056685      6.388920
  C      -3.799496      4.451536      6.227288
  N      -4.334089      3.667778      5.116348
  H      -0.070683      0.501465      4.674247
  H      -0.616932      0.074807      6.305387
  H      -0.730949      2.784179      4.852467
  H      -0.054636      2.468463      6.469736
  H      -4.383894      4.257094      7.139534
  H      -3.883191      5.524016      5.998343
  H      -1.904211      4.447496      7.319065
  H      -1.774287      4.463588      5.542471
  H      -3.769346      0.934083      8.938248
  H      -4.211414      2.608751      8.544017
  H      -1.802868      0.961899      7.656450
  H      -1.763394      2.556905      8.432948
  C      -7.330535      2.863687     -0.276133
  C      -6.334999      2.192350      0.623789
  O      -5.317435      2.797210      0.984480
  C      -6.598732      0.810647      1.122769
  C      -7.634305     -0.025514      0.671903
  C      -7.797601     -1.298871      1.212596
  C      -6.929174     -1.746391      2.205719
  F      -7.130557     -2.965483      2.717750
  C      -5.876549     -0.942669      2.687592
  C      -4.829645     -1.420126      3.631948
  O      -4.588807     -2.599746      3.847562
  N      -4.025846     -0.393781      4.181818
  C      -2.748865     -0.662280      4.496821
  C      -5.755228      0.323311      2.120913
  C      -6.356538     10.493296     -1.428401
  C      -6.519465      9.135842     -0.785592
  O      -7.082288      8.217801     -1.375049
  C      -5.973162      8.931339      0.594514
  C      -5.263753      9.927196      1.288152
  C      -4.771298      9.678578      2.564543
  C      -4.979330      8.430945      3.148195
  F      -4.493692      8.254248      4.395717
  C      -5.688820      7.407575      2.495689
  C      -5.975746      6.037145      3.034062
  O      -6.912473      5.380894      2.565987
  N      -5.136184      5.592407      4.047770
  C      -5.007064      4.293292      4.134011
  C      -6.179669      7.697667      1.217124
  C     -12.063169      1.386246      0.988455
  C     -10.995286      0.670950      1.780573
  O     -10.872057     -0.549782      1.723118
  C     -10.077435      1.484373      2.639575
  C     -10.087327      2.891160      2.634950
  C      -9.222092      3.611110      3.450432
  C      -8.331910      2.916353      4.261537
  F      -7.566271      3.629980      5.113648
  C      -8.263046      1.514115      4.274366
  C      -7.402547      0.735656      5.205763
  O      -7.813900     -0.296620      5.725876
  N      -6.120474      1.237231      5.523562
  C      -5.743148      1.069493      6.795150
  C      -9.176528      0.818547      3.474474
  H      -8.158588      3.232791      0.352023
  H      -6.864011      3.725588     -0.765189
  H      -7.758262      2.184852     -1.024634
  H      -8.330749      0.307368     -0.097342
  H      -8.612015     -1.947449      0.892398
  H      -2.296896     -1.658282      4.394483
  H      -4.953416      0.960567      2.466009
  H      -6.813823     11.278556     -0.807443
  H      -5.290410     10.747104     -1.534999
  H      -6.828501     10.483341     -2.416317
  H      -5.091920     10.904372      0.836609
  H      -4.228063     10.439318      3.125700
  H      -5.439289      3.639552      3.361277
  H      -6.743946      6.924766      0.693579
  H     -12.693423      0.647289      0.482990
  H     -11.605272      2.045580      0.233859
  H     -12.681642      2.023716      1.637255
  H     -10.782344      3.435495      1.995262
  H      -9.215000      4.699193      3.468197
  H      -6.448627      0.845963      7.606753
  H      -9.186483     -0.270543      3.506534
  N      -3.126273      2.260561      2.902672
  H      -2.561230      1.515069      2.484147
  H      -2.523679      3.086771      2.963383
  H      -3.861453      2.494040      2.204255
90
Coordinates from ORCA-job orca E -6670.501164554443
  N      -2.169379      0.447687      4.928240
  Mo     -3.865193      1.663965      5.015237
  N      -4.448595      1.254983      6.947138
  C      -3.746369      1.688326      8.136736
  C      -2.308440      1.930313      7.700205
  N      -2.204937      2.572389      6.334715
  C      -0.867904      2.215431      5.754535
  C      -0.840843      0.726249      5.415378
  C      -2.365552      4.063303      6.388874
  C      -3.824865      4.444762      6.225012
  N      -4.346649      3.663418      5.105428
  H      -0.073609      0.532726      4.648559
  H      -0.592308      0.098824      6.286406
  H      -0.751412      2.807405      4.837498
  H      -0.061979      2.497701      6.450413
  H      -4.409163      4.233499      7.133455
  H      -3.920787      5.517905      6.005396
  H      -1.932596      4.453782      7.322109
  H      -1.797981      4.479345      5.545578
  H      -3.757160      0.921990      8.929054
  H      -4.206903      2.598735      8.551474
  H      -1.802305      0.961315      7.636531
  H      -1.759311      2.551973      8.422467
  C      -7.345262      2.800515     -0.280464
  C      -6.348537      2.138844      0.625046
  O      -5.334843      2.752295      0.983465
  C      -6.604851      0.759737      1.132950
  C      -7.632865     -0.087549      0.685575
  C      -7.785016     -1.359630      1.233341
  C      -6.913288     -1.795523      2.228700
  F      -7.100000     -3.017029      2.740932
  C      -5.869894     -0.978163      2.709049
  C      -4.818177     -1.440857      3.654420
  O      -4.566998     -2.617372      3.875740
  N      -4.022086     -0.405401      4.197518
  C      -2.740226     -0.661119      4.503611
  C      -5.759926      0.285755      2.136223
  C      -6.364145     10.543616     -1.400864
  C      -6.533155      9.183273     -0.765253
  O      -7.116286      8.276514     -1.351929
  C      -5.968997      8.962535      0.605141
  C      -5.240297      9.946649      1.296286
  C      -4.732091      9.683193      2.563283
  C      -4.943493      8.432842      3.140175
  F      -4.440343      8.241845      4.378746
  C      -5.671406      7.420927      2.489926
  C      -5.963527      6.048453      3.021737
  O      -6.902566      5.398985      2.548685
  N      -5.127916      5.594224      4.033610
  C      -5.005311      4.293959      4.116327
  C      -6.177436      7.725928      1.220866
  C     -12.047500      1.406536      0.963976
  C     -10.989262      0.688511      1.767251
  O     -10.866613     -0.531884      1.708733
  C     -10.076332      1.501969      2.631646
  C     -10.090188      2.908799      2.632624
  C      -9.231551      3.628073      3.455125
  C      -8.341306      2.933407      4.265877
  F      -7.578342      3.646897      5.121032
  C      -8.269101      1.531029      4.274866
  C      -7.411380      0.752636      5.209190
  O      -7.827200     -0.276246      5.732747
  N      -6.127739      1.246803      5.525572
  C      -5.748901      1.082479      6.795995
  C      -9.177578      0.836194      3.469249
  H      -8.176870      3.170387      0.342771
  H      -6.879950      3.661532     -0.771857
  H      -7.768795      2.115804     -1.025943
  H      -8.332604      0.234854     -0.085063
  H      -8.593564     -2.015720      0.914738
  H      -2.280349     -1.653244      4.398607
  H      -4.966903      0.933740      2.481938
  H      -6.804545     11.329614     -0.768894
  H      -5.297028     10.786777     -1.520528
  H      -6.849471     10.545592     -2.382286
  H      -5.065308     10.925688      0.849968
  H      -4.173517     10.434427      3.122246
  H      -5.432012      3.644582      3.337296
  H      -6.756546      6.962490      0.699467
  H     -12.671863      0.668697      0.449623
  H     -11.580624      2.068097      0.216909
  H     -12.673698      2.042053      1.607214
  H     -10.783962      3.453937      1.992326
  H      -9.228908      4.715988      3.476817
  H      -6.453477      0.866594      7.610448
  H      -9.184985     -0.252876      3.498180
  N      -3.138401      2.246283      2.896434
  H      -2.564204      1.503940      2.485001
  H      -2.546387      3.080803      2.948594
  H      -3.876702      2.464368      2.196705
90
Coordinates from ORCA-job orca E -6670.501261508321
  N      -2.177879      0.452379      4.932168
  Mo     -3.883214      1.661420      5.017809
  N      -4.446766      1.263061      6.956939
  C      -3.739727      1.708086      8.138310
  C      -2.305925      1.953343      7.689783
  N      -2.213920      2.590394      6.322474
  C      -0.879742      2.238178      5.731972
  C      -0.844929      0.747094      5.398980
  C      -2.384634      4.078860      6.369212
  C      -3.847619      4.449111      6.211527
  N      -4.371372      3.662362      5.095168
  H      -0.085696      0.555655      4.623901
  H      -0.580664      0.126253      6.270530
  H      -0.776143      2.828256      4.812212
  H      -0.070079      2.527708      6.420382
  H      -4.430151      4.239360      7.121219
  H      -3.952480      5.520819      5.988083
  H      -1.947347      4.479094      7.296452
  H      -1.826428      4.493488      5.519154
  H      -3.741739      0.946463      8.935329
  H      -4.203195      2.618029      8.550895
  H      -1.798808      0.984540      7.625742
  H      -1.753396      2.577648      8.407349
  C      -7.356360      2.742127     -0.312235
  C      -6.366293      2.100541      0.615237
  O      -5.367669      2.731197      0.986052
  C      -6.613496      0.722848      1.130457
  C      -7.640371     -0.130044      0.692218
  C      -7.791179     -1.396856      1.251756
  C      -6.914474     -1.824381      2.246437
  F      -7.098592     -3.039722      2.772236
  C      -5.869898     -1.002864      2.715094
  C      -4.810367     -1.457515      3.656676
  O      -4.547546     -2.631903      3.876667
  N      -4.025031     -0.414915      4.200293
  C      -2.739303     -0.658089      4.499137
  C      -5.763741      0.258007      2.134671
  C      -6.318089     10.585594     -1.380794
  C      -6.504633      9.225350     -0.750472
  O      -7.098842      8.328547     -1.341109
  C      -5.946059      8.992217      0.620221
  C      -5.207288      9.964059      1.316400
  C      -4.702976      9.688598      2.583084
  C      -4.928650      8.437840      3.153493
  F      -4.427320      8.236053      4.391108
  C      -5.668028      7.437415      2.497926
  C      -5.975018      6.066115      3.022017
  O      -6.925807      5.431307      2.551414
  N      -5.136300      5.597793      4.024548
  C      -5.026074      4.296055      4.107126
  C      -6.169907      7.754530      1.229990
  C     -12.036929      1.401686      0.958670
  C     -10.987100      0.682977      1.771398
  O     -10.866331     -0.537846      1.715600
  C     -10.076334      1.495319      2.639114
  C     -10.096191      2.901977      2.647432
  C      -9.236650      3.619895      3.470182
  C      -8.341989      2.923889      4.275214
  F      -7.577536      3.636217      5.129793
  C      -8.264729      1.523616      4.278387
  C      -7.404704      0.744822      5.210969
  O      -7.820847     -0.284277      5.733654
  N      -6.121715      1.239199      5.531610
  C      -5.745024      1.073261      6.804076
  C      -9.171373      0.828854      3.469649
  H      -8.208368      3.099061      0.290543
  H      -6.896181      3.609456     -0.797212
  H      -7.752371      2.047012     -1.063515
  H      -8.342689      0.185464     -0.079167
  H      -8.601090     -2.056724      0.943946
  H      -2.268702     -1.644101      4.384473
  H      -4.970303      0.907627      2.476987
  H      -6.754415     11.374008     -0.749133
  H      -5.248215     10.818379     -1.493835
  H      -6.798318     10.595453     -2.364503
  H      -5.020662     10.943179      0.874697
  H      -4.136184     10.430748      3.146027
  H      -5.459478      3.646175      3.331260
  H      -6.756556      7.001315      0.702953
  H     -12.645631      0.665172      0.424217
  H     -11.564172      2.079372      0.230226
  H     -12.680884      2.020607      1.601157
  H     -10.795690      3.448024      2.014108
  H      -9.238682      4.707832      3.497617
  H      -6.450117      0.851890      7.616410
  H      -9.173888     -0.260583      3.492173
  N      -3.164686      2.241516      2.896383
  H      -2.584474      1.505282      2.482504
  H      -2.580695      3.081508      2.950403
  H      -3.905779      2.454317      2.198167
90
Coordinates from ORCA-job orca E -6670.501334564370
  N      -2.171939      0.450100      4.943383
  Mo     -3.874623      1.660198      5.019039
  N      -4.447073      1.259575      6.954671
  C      -3.738353      1.692221      8.139273
  C      -2.304565      1.937926      7.690276
  N      -2.215293      2.585381      6.327684
  C      -0.879406      2.243835      5.733719
  C      -0.836687      0.753765      5.396654
  C      -2.391869      4.073617      6.387399
  C      -3.854166      4.439403      6.223127
  N      -4.365125      3.657768      5.097985
  H      -0.083964      0.571664      4.613025
  H      -0.558477      0.133318      6.263775
  H      -0.780443      2.837595      4.815835
  H      -0.070248      2.535502      6.422069
  H      -4.443631      4.218278      7.125707
  H      -3.961465      5.512644      6.008189
  H      -1.962409      4.465596      7.321702
  H      -1.829611      4.498371      5.544940
  H      -3.739456      0.923590      8.929610
  H      -4.198546      2.599779      8.561124
  H      -1.799459      0.969092      7.618476
  H      -1.749367      2.555569      8.411544
  C      -7.403619      2.667189     -0.294219
  C      -6.399627      2.045291      0.631308
  O      -5.405042      2.689305      0.990068
  C      -6.628179      0.668513      1.156239
  C      -7.642316     -0.199847      0.720755
  C      -7.781281     -1.463943      1.290234
  C      -6.904012     -1.872948      2.291128
  F      -7.078958     -3.083998      2.829431
  C      -5.867112     -1.037305      2.753585
  C      -4.802219     -1.477453      3.695685
  O      -4.533411     -2.648549      3.926260
  N      -4.017960     -0.426995      4.226063
  C      -2.731117     -0.664702      4.517817
  C      -5.774007      0.220910      2.165142
  C      -6.406803     10.604006     -1.353177
  C      -6.587153      9.242254     -0.724110
  O      -7.205282      8.353147     -1.301684
  C      -5.990052      8.997919      0.628580
  C      -5.226825      9.961983      1.309203
  C      -4.688119      9.675895      2.558931
  C      -4.904055      8.422702      3.128001
  F      -4.366715      8.211760      4.348864
  C      -5.667131      7.429445      2.488034
  C      -5.966076      6.054896      3.011008
  O      -6.910888      5.413949      2.537284
  N      -5.131478      5.591309      4.019393
  C      -5.019047      4.290133      4.103995
  C      -6.201768      7.757896      1.236406
  C     -11.964195      1.511294      0.882628
  C     -10.934254      0.772738      1.703786
  O     -10.826084     -0.448838      1.638500
  C     -10.032943      1.567339      2.597559
  C     -10.041789      2.974117      2.621863
  C      -9.189740      3.675529      3.466093
  C      -8.311606      2.963173      4.275461
  F      -7.553223      3.661152      5.148004
  C      -8.245986      1.562520      4.264221
  C      -7.400561      0.767866      5.196220
  O      -7.831862     -0.261400      5.707089
  N      -6.116093      1.247818      5.526870
  C      -5.743470      1.066705      6.797834
  C      -9.146894      0.884308      3.434983
  H      -8.262395      3.006668      0.308695
  H      -6.962572      3.543683     -0.780578
  H      -7.785871      1.962925     -1.044395
  H      -8.345384      0.101590     -0.055335
  H      -8.584717     -2.133452      0.984996
  H      -2.258480     -1.649648      4.402099
  H      -4.988413      0.882300      2.502960
  H      -6.817577     11.393297     -0.705340
  H      -5.338369     10.828166     -1.496137
  H      -6.915084     10.622767     -2.322829
  H      -5.047847     10.942899      0.868590
  H      -4.101062     10.411230      3.109711
  H      -5.446650      3.641201      3.324586
  H      -6.805491      7.009903      0.721347
  H     -12.571987      0.786972      0.330466
  H     -11.472293      2.191646      0.169599
  H     -12.612104      2.129651      1.521385
  H     -10.726572      3.533117      1.983813
  H      -9.185351      4.763384      3.505418
  H      -6.448838      0.836016      7.607428
  H      -9.160037     -0.205150      3.446586
  N      -3.171314      2.223628      2.887622
  H      -2.587262      1.488004      2.478135
  H      -2.595862      3.070345      2.925874
  H      -3.920184      2.420072      2.192632
90
Coordinates from ORCA-job orca E -6670.501503769525
  N      -2.170678      0.462607      4.933439
  Mo     -3.876373      1.666608      5.015611
  N      -4.447303      1.261100      6.950070
  C      -3.731394      1.689572      8.132355
  C      -2.299892      1.938479      7.678363
  N      -2.219466      2.595277      6.320284
  C      -0.884757      2.264960      5.716548
  C      -0.832897      0.776318      5.372684
  C      -2.406513      4.081792      6.389233
  C      -3.871388      4.438467      6.223623
  N      -4.374666      3.660994      5.090645
  H      -0.087063      0.603685      4.580424
  H      -0.540073      0.155840      6.235007
  H      -0.796302      2.864030      4.801080
  H      -0.073174      2.559106      6.400977
  H      -4.462694      4.208090      7.122707
  H      -3.984616      5.512339      6.015034
  H      -1.980964      4.470619      7.326664
  H      -1.846082      4.516364      5.550541
  H      -3.729409      0.918532      8.920236
  H      -4.188795      2.596215      8.559448
  H      -1.793906      0.970758      7.597297
  H      -1.741993      2.551595      8.401521
  C      -7.405288      2.608669     -0.334756
  C      -6.414770      2.011619      0.621618
  O      -5.437570      2.672994      0.996415
  C      -6.636335      0.637203      1.154779
  C      -7.645788     -0.239139      0.723997
  C      -7.781706     -1.498468      1.304708
  C      -6.903167     -1.896351      2.309438
  F      -7.072286     -3.104775      2.856583
  C      -5.868885     -1.053258      2.764513
  C      -4.798266     -1.482100      3.704951
  O      -4.522038     -2.650601      3.940187
  N      -4.016557     -0.424620      4.225353
  C      -2.726340     -0.654074      4.508668
  C      -5.781443      0.201182      2.167631
  C      -6.379716     10.639172     -1.336819
  C      -6.574243      9.278750     -0.708938
  O      -7.205305      8.398017     -1.285410
  C      -5.973421      9.024509      0.640355
  C      -5.199675      9.979479      1.321542
  C      -4.659087      9.684211      2.568387
  C      -4.883090      8.430668      3.133397
  F      -4.342816      8.211244      4.351558
  C      -5.656723      7.446066      2.492695
  C      -5.964807      6.071522      3.010681
  O      -6.912614      5.437054      2.534694
  N      -5.134503      5.600187      4.018970
  C      -5.022966      4.299161      4.096517
  C      -6.193119      7.783823      1.244296
  C     -11.948731      1.506741      0.867610
  C     -10.941437      0.765636      1.713706
  O     -10.844467     -0.457571      1.661827
  C     -10.044558      1.559698      2.612312
  C     -10.047753      2.966953      2.630029
  C      -9.196246      3.669538      3.473791
  C      -8.324769      2.956760      4.289947
  F      -7.565538      3.654706      5.162130
  C      -8.266315      1.555565      4.286604
  C      -7.424499      0.763975      5.224850
  O      -7.862448     -0.254756      5.750737
  N      -6.132796      1.236965      5.536159
  C      -5.747257      1.074091      6.805108
  C      -9.166581      0.876313      3.457837
  H      -8.292312      2.923018      0.240129
  H      -6.972050      3.496573     -0.807028
  H      -7.743863      1.895295     -1.097162
  H      -8.347914      0.052429     -0.056560
  H      -8.581300     -2.174121      1.003326
  H      -2.248292     -1.635935      4.388887
  H      -4.998517      0.868532      2.500267
  H      -6.781731     11.432008     -0.687783
  H      -5.309174     10.852246     -1.480431
  H      -6.889142     10.664383     -2.305686
  H      -5.014533     10.960729      0.884160
  H      -4.064154     10.412553      3.119942
  H      -5.447311      3.655482      3.310433
  H      -6.804993      7.042989      0.728373
  H     -12.545340      0.784394      0.301004
  H     -11.437939      2.186745      0.167765
  H     -12.610362      2.126236      1.491363
  H     -10.726515      3.525681      1.985421
  H      -9.186965      4.757294      3.507070
  H      -6.444286      0.848941      7.623598
  H      -9.183203     -0.213098      3.472929
  N      -3.187769      2.230012      2.878861
  H      -2.604725      1.496826      2.463486
  H      -2.615121      3.078937      2.912565
  H      -3.943019      2.424833      2.190490
90
Coordinates from ORCA-job orca E -6670.501618060678
  N      -2.178746      0.475353      4.927492
  Mo     -3.889383      1.672116      5.017137
  N      -4.448357      1.266683      6.953228
  C      -3.725829      1.693496      8.131930
  C      -2.297143      1.944382      7.668543
  N      -2.227572      2.605830      6.312391
  C      -0.895753      2.284486      5.698697
  C      -0.838152      0.797265      5.350675
  C      -2.420945      4.091260      6.388511
  C      -3.886901      4.441915      6.225227
  N      -4.388005      3.667488      5.089695
  H      -0.101047      0.631612      4.548821
  H      -0.530677      0.176933      6.208001
  H      -0.817674      2.886860      4.784560
  H      -0.081169      2.581173      6.378342
  H      -4.476595      4.204823      7.123578
  H      -4.005153      5.516084      6.021434
  H      -1.997548      4.477683      7.327740
  H      -1.862478      4.532322      5.551889
  H      -3.717763      0.921254      8.918546
  H      -4.181368      2.599010      8.562934
  H      -1.791872      0.976692      7.581502
  H      -1.734522      2.555549      8.389680
  C      -7.412924      2.545342     -0.368663
  C      -6.432490      1.970492      0.611488
  O      -5.469512      2.646662      0.996479
  C      -6.646321      0.598296      1.153126
  C      -7.649282     -0.287703      0.726283
  C      -7.780154     -1.542708      1.317821
  C      -6.901423     -1.927476      2.327501
  F      -7.063536     -3.132889      2.883707
  C      -5.873227     -1.074025      2.777552
  C      -4.799138     -1.490434      3.718849
  O      -4.513471     -2.655673      3.958061
  N      -4.023729     -0.424920      4.232340
  C      -2.728169     -0.643688      4.504479
  C      -5.792225      0.176316      2.172062
  C      -6.356839     10.674047     -1.319469
  C      -6.562807      9.314810     -0.692524
  O      -7.208679      8.442894     -1.265637
  C      -5.955578      9.051137      0.652065
  C      -5.169114      9.997473      1.331191
  C      -4.623650      9.693490      2.573662
  C      -4.855685      8.440493      3.136717
  F      -4.308662      8.212819      4.350517
  C      -5.642128      7.464656      2.498453
  C      -5.959560      6.091419      3.014574
  O      -6.909243      5.462418      2.535137
  N      -5.136046      5.613061      4.024814
  C      -5.031446      4.311046      4.096894
  C      -6.182095      7.810659      1.253746
  C     -11.934285      1.507054      0.856112
  C     -10.938290      0.764044      1.714145
  O     -10.845707     -0.459560      1.665617
  C     -10.045751      1.557867      2.617545
  C     -10.059785      2.964945      2.645508
  C      -9.212767      3.667757      3.493307
  C      -8.333940      2.955914      4.301758
  F      -7.575604      3.654425      5.174313
  C      -8.265296      1.554568      4.289678
  C      -7.418833      0.762494      5.223816
  O      -7.851310     -0.260787      5.744996
  N      -6.129773      1.239186      5.539694
  C      -5.747289      1.076114      6.809915
  C      -9.161996      0.874881      3.457575
  H      -8.323923      2.835371      0.181267
  H      -6.989371      3.444456     -0.828156
  H      -7.711942      1.824482     -1.140559
  H      -8.350575     -0.007237     -0.059059
  H      -8.574395     -2.225590      1.018722
  H      -2.243166     -1.621321      4.377928
  H      -5.014252      0.850250      2.502938
  H      -6.749126     11.469895     -0.668201
  H      -5.284888     10.877156     -1.466596
  H      -6.869606     10.705509     -2.286361
  H      -4.977999     10.978462      0.895718
  H      -4.018494     10.414639      3.123640
  H      -5.456554      3.671591      3.308316
  H      -6.802536      7.076050      0.738854
  H     -12.520925      0.785700      0.277922
  H     -11.414624      2.192114      0.167949
  H     -12.607298      2.121115      1.473025
  H     -10.743655      3.523542      2.006337
  H      -9.211992      4.755113      3.534399
  H      -6.444415      0.847407      7.627184
  H      -9.171364     -0.214727      3.463747
  N      -3.214080      2.233132      2.873972
  H      -2.631282      1.500930      2.456577
  H      -2.643983      3.083994      2.902409
  H      -3.973986      2.423869      2.190143
90
Coordinates from ORCA-job orca E -6670.501730939679
  N      -2.177944      0.479920      4.927029
  Mo     -3.888661      1.674221      5.015525
  N      -4.448939      1.271171      6.950640
  C      -3.724652      1.694928      8.129492
  C      -2.296293      1.944413      7.664212
  N      -2.229353      2.609212      6.309444
  C      -0.897538      2.293503      5.693403
  C      -0.835779      0.806841      5.342262
  C      -2.426317      4.094286      6.389961
  C      -3.892121      4.443200      6.218872
  N      -4.386898      3.669857      5.080325
  H      -0.103617      0.645422      4.535100
  H      -0.520153      0.186757      6.196855
  H      -0.823543      2.898080      4.780320
  H      -0.083111      2.592192      6.372215
  H      -4.485617      4.204782      7.114322
  H      -4.010004      5.517461      6.015195
  H      -2.009821      4.477673      7.333484
  H      -1.862754      4.539204      5.558939
  H      -3.718100      0.922407      8.915693
  H      -4.177670      2.601611      8.561042
  H      -1.792474      0.975969      7.573466
  H      -1.731138      2.553215      8.385286
  C      -7.426925      2.484277     -0.389085
  C      -6.450354      1.933454      0.609002
  O      -5.498658      2.623785      0.996077
  C      -6.655252      0.563817      1.161136
  C      -7.657366     -0.328022      0.743884
  C      -7.784509     -1.577490      1.346812
  C      -6.902891     -1.951344      2.358300
  F      -7.062671     -3.151320      2.926729
  C      -5.874537     -1.092941      2.797816
  C      -4.798414     -1.499788      3.741556
  O      -4.511914     -2.662426      3.991900
  N      -4.022474     -0.429153      4.243091
  C      -2.725762     -0.643114      4.511853
  C      -5.797169      0.152354      2.180884
  C      -6.372827     10.715841     -1.289556
  C      -6.581352      9.354159     -0.669076
  O      -7.244063      8.492407     -1.238264
  C      -5.957643      9.075937      0.665009
  C      -5.156479     10.012018      1.340913
  C      -4.597496      9.695213      2.574226
  C      -4.830830      8.439938      3.131511
  F      -4.268941      8.200707      4.336337
  C      -5.631171      7.473572      2.496069
  C      -5.951707      6.099067      3.005611
  O      -6.901055      5.472797      2.521589
  N      -5.133194      5.617082      4.018560
  C      -5.026701      4.314984      4.086237
  C      -6.184111      7.832140      1.260330
  C     -11.912109      1.521361      0.828798
  C     -10.931350      0.776193      1.702042
  O     -10.848365     -0.448564      1.661925
  C     -10.039889      1.568041      2.607884
  C     -10.049411      2.975114      2.632826
  C      -9.203599      3.676973      3.482890
  C      -8.330192      2.963634      4.295359
  F      -7.571871      3.659737      5.169790
  C      -8.266212      1.561974      4.286410
  C      -7.423995      0.770244      5.224924
  O      -7.861287     -0.248082      5.751591
  N      -6.132489      1.243775      5.538600
  C      -5.748360      1.079217      6.808698
  C      -9.161980      0.883325      3.452807
  H      -8.362129      2.735805      0.138679
  H      -7.022881      3.400489     -0.831870
  H      -7.679230      1.758889     -1.173745
  H      -8.361143     -0.055694     -0.042181
  H      -8.578128     -2.264408      1.055799
  H      -2.237871     -1.619577      4.387299
  H      -5.019269      0.830757      2.503346
  H      -6.751724     11.509900     -0.628284
  H      -5.301396     10.912262     -1.448138
  H      -6.897293     10.757576     -2.249660
  H      -4.964706     10.995074      0.910307
  H      -3.980480     10.408138      3.121855
  H      -5.449842      3.677570      3.295047
  H      -6.815685      7.105214      0.748003
  H     -12.491562      0.801479      0.241781
  H     -11.380854      2.206522      0.149609
  H     -12.593620      2.135892      1.436134
  H     -10.729279      3.534800      1.990389
  H      -9.199307      4.764335      3.522336
  H      -6.444668      0.849429      7.626228
  H      -9.175696     -0.206261      3.460092
  N      -3.221541      2.225864      2.866182
  H      -2.638281      1.493509      2.449688
  H      -2.654365      3.078945      2.886511
  H      -3.985821      2.409354      2.185385
90
Coordinates from ORCA-job orca E -6670.501860215042
  N      -2.175138      0.485878      4.924770
  Mo     -3.886231      1.675505      5.011893
  N      -4.450133      1.272238      6.944909
  C      -3.728153      1.690986      8.127198
  C      -2.298835      1.938830      7.664263
  N      -2.232015      2.608201      6.310721
  C      -0.898208      2.298875      5.696768
  C      -0.832968      0.813843      5.340351
  C      -2.431191      4.093348      6.399119
  C      -3.895594      4.442596      6.216435
  N      -4.381487      3.672270      5.073520
  H      -0.102495      0.656880      4.530840
  H      -0.514422      0.191607      6.192170
  H      -0.824264      2.906680      4.785669
  H      -0.086264      2.598305      6.378152
  H      -4.494126      4.203029      7.108344
  H      -4.010115      5.517457      6.013613
  H      -2.026091      4.469631      7.350347
  H      -1.857876      4.544309      5.578187
  H      -3.727196      0.917679      8.912398
  H      -4.178919      2.599458      8.557846
  H      -1.796086      0.970105      7.569983
  H      -1.732515      2.545347      8.386144
  C      -7.436953      2.430772     -0.399172
  C      -6.453288      1.896577      0.601437
  O      -5.499777      2.591050      0.974718
  C      -6.655409      0.532190      1.167885
  C      -7.664120     -0.359490      0.765414
  C      -7.790819     -1.602812      1.380092
  C      -6.904334     -1.969698      2.390265
  F      -7.065547     -3.164105      2.970229
  C      -5.871169     -1.110613      2.816676
  C      -4.796092     -1.508766      3.765536
  O      -4.513890     -2.668719      4.032646
  N      -4.017936     -0.433277      4.253011
  C      -2.720951     -0.643041      4.522867
  C      -5.792348      0.127789      2.185479
  C      -6.403048     10.756421     -1.257629
  C      -6.606242      9.389256     -0.647650
  O      -7.279939      8.534975     -1.215564
  C      -5.964845      9.096516      0.674831
  C      -5.152433     10.024338      1.348773
  C      -4.578416      9.694819      2.571659
  C      -4.808501      8.435572      3.121136
  F      -4.230144      8.184051      4.315657
  C      -5.619484      7.476963      2.487417
  C      -5.938577      6.099507      2.989273
  O      -6.881515      5.470520      2.496307
  N      -5.129876      5.618822      4.011459
  C      -5.017827      4.317272      4.077120
  C      -6.186762      7.847912      1.261604
  C     -11.908332      1.537007      0.815121
  C     -10.930707      0.792105      1.692075
  O     -10.858021     -0.433837      1.662158
  C     -10.032166      1.583252      2.591220
  C     -10.032146      2.990230      2.607321
  C      -9.183505      3.691819      3.455239
  C      -8.316783      2.977330      4.273431
  F      -7.556367      3.671482      5.147266
  C      -8.260829      1.574613      4.271445
  C      -7.424425      0.782538      5.214683
  O      -7.865816     -0.232584      5.743956
  N      -6.131304      1.253627      5.530419
  C      -5.749558      1.081508      6.801195
  C      -9.159576      0.897112      3.440848
  H      -8.388820      2.638638      0.116965
  H      -7.057747      3.365226     -0.825354
  H      -7.649551      1.706063     -1.196904
  H      -8.372460     -0.090845     -0.017900
  H      -8.588274     -2.290127      1.100376
  H      -2.229563     -1.618719      4.406144
  H      -5.010104      0.807245      2.495252
  H      -6.773290     11.544157     -0.583828
  H      -5.333327     10.953279     -1.426922
  H      -6.939486     10.808255     -2.210641
  H      -4.963523     11.010622      0.924443
  H      -3.951723     10.400519      3.117595
  H      -5.436308      3.680103      3.283093
  H      -6.826779      7.126929      0.751541
  H     -12.490072      0.816664      0.231090
  H     -11.375925      2.218851      0.133518
  H     -12.588267      2.155483      1.420325
  H     -10.707469      3.550623      1.960756
  H      -9.171296      4.779372      3.489186
  H      -6.448726      0.851250      7.615937
  H      -9.182322     -0.192284      3.453648
  N      -3.223412      2.220265      2.857233
  H      -2.639909      1.486534      2.443471
  H      -2.657581      3.074368      2.869304
  H      -3.990812      2.396556      2.178053
90
Coordinates from ORCA-job orca E -6670.501967246712
  N      -2.172388      0.485407      4.927588
  Mo     -3.882719      1.676149      5.007238
  N      -4.454410      1.279451      6.938752
  C      -3.735253      1.695962      8.123705
  C      -2.303953      1.938261      7.665062
  N      -2.233019      2.608172      6.311678
  C      -0.897422      2.299507      5.701991
  C      -0.830627      0.814459      5.345472
  C      -2.432242      4.093913      6.400373
  C      -3.894863      4.444411      6.204276
  N      -4.371000      3.674598      5.057156
  H      -0.099495      0.658698      4.536333
  H      -0.512134      0.191683      6.196951
  H      -0.821240      2.906990      4.790764
  H      -0.087676      2.599736      6.385646
  H      -4.500882      4.205489      7.091314
  H      -4.006343      5.519502      6.000558
  H      -2.036807      4.468215      7.356444
  H      -1.850291      4.545681      5.586097
  H      -3.741510      0.923399      8.909527
  H      -4.183978      2.606904      8.551556
  H      -1.804319      0.967969      7.570630
  H      -1.736721      2.542995      8.387625
  C      -7.446358      2.374428     -0.403965
  C      -6.456171      1.852931      0.597210
  O      -5.501749      2.551423      0.959459
  C      -6.655780      0.493563      1.176560
  C      -7.665671     -0.400938      0.783700
  C      -7.791865     -1.638264      1.410065
  C      -6.903443     -1.996145      2.421943
  F      -7.063708     -3.185661      3.011853
  C      -5.869560     -1.133817      2.839419
  C      -4.794627     -1.521601      3.792858
  O      -4.513261     -2.678436      4.074557
  N      -4.015875     -0.440387      4.266322
  C      -2.719502     -0.648045      4.539446
  C      -5.791094      0.098522      2.196209
  C      -6.435399     10.811786     -1.217776
  C      -6.633407      9.438320     -0.620553
  O      -7.319228      8.592990     -1.187390
  C      -5.972512      9.128166      0.688300
  C      -5.147430     10.045936      1.360423
  C      -4.555744      9.700894      2.570527
  C      -4.780932      8.436075      3.109215
  F      -4.183576      8.169993      4.291080
  C      -5.604027      7.486555      2.476644
  C      -5.919394      6.104088      2.967046
  O      -6.856980      5.473859      2.465467
  N      -5.115516      5.621401      3.992772
  C      -5.000701      4.320269      4.056227
  C      -6.188697      7.873292      1.263749
  C     -11.916138      1.544257      0.808092
  C     -10.929641      0.802726      1.677750
  O     -10.854643     -0.423214      1.648977
  C     -10.027614      1.595949      2.571495
  C     -10.021792      3.002711      2.579628
  C      -9.169889      3.705275      3.423759
  C      -8.307288      2.991879      4.247378
  F      -7.544858      3.687854      5.117857
  C      -8.257672      1.589160      4.253607
  C      -7.427631      0.797625      5.202823
  O      -7.874441     -0.213969      5.734286
  N      -6.133040      1.264545      5.520182
  C      -5.754041      1.090635      6.791755
  C      -9.158153      0.911063      3.425504
  H      -8.411312      2.542173      0.101068
  H      -7.090202      3.324911     -0.814068
  H      -7.624388      1.652948     -1.213827
  H      -8.375308     -0.137606     -0.000276
  H      -8.590958     -2.327553      1.139543
  H      -2.226740     -1.624477      4.435593
  H      -5.007905      0.780850      2.497358
  H      -6.794597     11.592109     -0.529490
  H      -5.367770     11.008525     -1.399508
  H      -6.985120     10.875940     -2.162388
  H      -4.961874     11.036317      0.944212
  H      -3.918298     10.398362      3.114617
  H      -5.414086      3.683545      3.259365
  H      -6.838206      7.159924      0.755431
  H     -12.496936      0.822301      0.225160
  H     -11.393409      2.232699      0.125782
  H     -12.596341      2.155986      1.420067
  H     -10.694487      3.562149      1.929443
  H      -9.152409      4.793043      3.451174
  H      -6.456144      0.861793      7.604324
  H      -9.186108     -0.178097      3.445172
  N      -3.219519      2.203973      2.847844
  H      -2.632651      1.468249      2.442490
  H      -2.656685      3.060103      2.851436
  H      -3.987055      2.369672      2.166155
90
Coordinates from ORCA-job orca E -6670.502091505808
  N      -2.169845      0.493801      4.922394
  Mo     -3.884098      1.679124      5.001804
  N      -4.458909      1.281238      6.932219
  C      -3.742110      1.695454      8.119655
  C      -2.309884      1.936683      7.664566
  N      -2.237800      2.611743      6.313752
  C      -0.900741      2.308018      5.705763
  C      -0.829978      0.824385      5.345674
  C      -2.440213      4.097091      6.408078
  C      -3.902014      4.445560      6.203101
  N      -4.368455      3.678571      5.050090
  H      -0.096520      0.673250      4.537702
  H      -0.512291      0.198602      6.195136
  H      -0.823995      2.917426      4.795896
  H      -0.092734      2.608218      6.391618
  H      -4.513359      4.201965      7.085270
  H      -4.014358      5.521259      6.003128
  H      -2.053712      4.467220      7.369346
  H      -1.852976      4.554430      5.600778
  H      -3.751728      0.921371      8.903953
  H      -4.191176      2.606046      8.547766
  H      -1.811377      0.966431      7.566801
  H      -1.742620      2.538611      8.389446
  C      -7.458305      2.334518     -0.404388
  C      -6.461150      1.821178      0.594280
  O      -5.503892      2.521102      0.945629
  C      -6.657242      0.465065      1.181854
  C      -7.667482     -0.432232      0.796401
  C      -7.790763     -1.666014      1.430668
  C      -6.898873     -2.016940      2.442086
  F      -7.055893     -3.203861      3.038163
  C      -5.865041     -1.151082      2.852084
  C      -4.788129     -1.529712      3.806227
  O      -4.505105     -2.683664      4.098545
  N      -4.011671     -0.442209      4.268698
  C      -2.715285     -0.644354      4.544974
  C      -5.789440      0.077451      2.201281
  C      -6.451852     10.853872     -1.188591
  C      -6.651207      9.477914     -0.597274
  O      -7.352374      8.641594     -1.158560
  C      -5.971574      9.153633      0.698558
  C      -5.128460     10.060496      1.363445
  C      -4.519189      9.702264      2.560656
  C      -4.745292      8.435332      3.094260
  F      -4.127087      8.155549      4.262027
  C      -5.586956      7.496660      2.469146
  C      -5.903989      6.112058      2.954713
  O      -6.837639      5.481741      2.446591
  N      -5.105882      5.626949      3.983981
  C      -4.992726      4.326126      4.046857
  C      -6.187660      7.896612      1.268529
  C     -11.928409      1.540725      0.808979
  C     -10.935109      0.801844      1.673324
  O     -10.859420     -0.424029      1.647411
  C     -10.028329      1.598132      2.559915
  C     -10.013212      3.004765      2.556337
  C      -9.155843      3.708564      3.393943
  C      -8.299118      2.996591      4.225387
  F      -7.534568      3.696241      5.090946
  C      -8.258413      1.593827      4.243109
  C      -7.433374      0.802994      5.197235
  O      -7.883944     -0.205625      5.731153
  N      -6.137878      1.266277      5.513875
  C      -5.758448      1.093263      6.784891
  C      -9.162603      0.915167      3.419410
  H      -8.436351      2.453991      0.087570
  H      -7.128582      3.304002     -0.791120
  H      -7.597668      1.622910     -1.231304
  H      -8.379330     -0.172179      0.013496
  H      -8.589817     -2.358396      1.167339
  H      -2.216942     -1.619196      4.454004
  H      -5.005962      0.762861      2.495098
  H      -6.795179     11.631698     -0.489341
  H      -5.385646     11.044720     -1.384773
  H      -7.015128     10.928468     -2.124489
  H      -4.941626     11.052052      0.950705
  H      -3.866270     10.390440      3.098079
  H      -5.400156      3.689611      3.246537
  H      -6.849391      7.191129      0.765152
  H     -12.510862      0.817023      0.229697
  H     -11.414063      2.231795      0.123290
  H     -12.606345      2.149750      1.426227
  H     -10.681331      3.562990      1.900336
  H      -9.129921      4.796488      3.411511
  H      -6.461104      0.865805      7.597488
  H      -9.195913     -0.173655      3.447261
  N      -3.225272      2.201267      2.839787
  H      -2.633548      1.466404      2.439987
  H      -2.667384      3.060588      2.837901
  H      -3.993334      2.357242      2.156739
90
Coordinates from ORCA-job orca E -6670.502104608014
  N      -2.172489      0.508939      4.912169
  Mo     -3.889191      1.691317      4.994195
  N      -4.465988      1.291633      6.924313
  C      -3.751314      1.703374      8.114048
  C      -2.317668      1.940810      7.662634
  N      -2.242161      2.620798      6.314719
  C      -0.904796      2.318139      5.707710
  C      -0.834597      0.835972      5.343948
  C      -2.443641      4.105517      6.415614
  C      -3.904127      4.455165      6.205252
  N      -4.364252      3.692860      5.046427
  H      -0.097311      0.686889      4.538971
  H      -0.522118      0.205844      6.191940
  H      -0.825747      2.929368      4.799335
  H      -0.097225      2.615404      6.395502
  H      -4.520004      4.207079      7.083056
  H      -4.015887      5.531693      6.010052
  H      -2.062764      4.470082      7.381157
  H      -1.852295      4.567550      5.614007
  H      -3.764309      0.927637      8.896746
  H      -4.199707      2.613888      8.542685
  H      -1.822279      0.969513      7.562137
  H      -1.749639      2.538516      8.390489
  C      -7.493731      2.333102     -0.383918
  C      -6.488750      1.821424      0.607724
  O      -5.530191      2.522565      0.953193
  C      -6.676958      0.463643      1.193540
  C      -7.684005     -0.437699      0.809123
  C      -7.798347     -1.673740      1.441282
  C      -6.901838     -2.021567      2.449780
  F      -7.050838     -3.211159      3.043281
  C      -5.871397     -1.150937      2.858532
  C      -4.790968     -1.524033      3.810229
  O      -4.505108     -2.676284      4.106684
  N      -4.014463     -0.432711      4.263888
  C      -2.718990     -0.632278      4.544365
  C      -5.803806      0.078954      2.209205
  C      -6.430811     10.909781     -1.163014
  C      -6.637681      9.532960     -0.575807
  O      -7.360390      8.709248     -1.128283
  C      -5.938316      9.192154      0.705357
  C      -5.070690     10.083885      1.359542
  C      -4.443543      9.710119      2.542399
  C      -4.677014      8.443156      3.073016
  F      -4.037419      8.146856      4.224990
  C      -5.544122      7.520001      2.459229
  C      -5.870485      6.135914      2.942614
  O      -6.807467      5.512276      2.433030
  N      -5.082568      5.645803      3.976794
  C      -4.979916      4.344691      4.041434
  C      -6.160193      7.935044      1.271887
  C     -11.954760      1.452396      0.817488
  C     -10.941946      0.731029      1.674184
  O     -10.848521     -0.493491      1.652458
  C     -10.040628      1.544618      2.551109
  C     -10.036429      2.951396      2.533653
  C      -9.182964      3.670021      3.362251
  C      -8.320437      2.973288      4.201199
  F      -7.563754      3.689402      5.060002
  C      -8.267736      1.571009      4.232102
  C      -7.435751      0.793163      5.190946
  O      -7.876687     -0.217959      5.728356
  N      -6.145544      1.269205      5.506237
  C      -5.764935      1.103256      6.777119
  C      -9.167238      0.877555      3.415269
  H      -8.482925      2.398908      0.094597
  H      -7.192805      3.323793     -0.738682
  H      -7.593744      1.640902     -1.233538
  H      -8.398843     -0.178492      0.028788
  H      -8.593232     -2.371343      1.178814
  H      -2.216351     -1.606097      4.467373
  H      -5.023283      0.768652      2.500748
  H      -6.749291     11.687609     -0.451988
  H      -5.366103     11.087693     -1.379149
  H      -7.011304     10.997965     -2.087249
  H      -4.878187     11.075226      0.949004
  H      -3.770250     10.385716      3.070405
  H      -5.383634      3.709456      3.237841
  H      -6.838690      7.240371      0.775605
  H     -12.533132      0.718013      0.247438
  H     -11.459809      2.148572      0.122975
  H     -12.634093      2.053650      1.440759
  H     -10.709181      3.497708      1.872328
  H      -9.164316      4.758232      3.368360
  H      -6.466753      0.875188      7.590461
  H      -9.189392     -0.211289      3.452978
  N      -3.234297      2.210634      2.831415
  H      -2.639693      1.475545      2.436317
  H      -2.678916      3.071563      2.826073
  H      -4.001771      2.360866      2.146623
90
Coordinates from ORCA-job orca E -6670.502089252218
  N      -2.166652      0.512786      4.919981
  Mo     -3.889226      1.689054      4.991007
  N      -4.476997      1.293556      6.919136
  C      -3.769033      1.705612      8.112792
  C      -2.333464      1.943385      7.669306
  N      -2.251478      2.625600      6.323418
  C      -0.910414      2.327657      5.722752
  C      -0.832620      0.845298      5.360486
  C      -2.459064      4.108895      6.423897
  C      -3.919203      4.453239      6.199307
  N      -4.364348      3.689998      5.034556
  H      -0.089471      0.698621      4.560410
  H      -0.523190      0.216257      6.210500
  H      -0.829643      2.938283      4.814087
  H      -0.106938      2.628295      6.413852
  H      -4.543593      4.201580      7.069891
  H      -4.034001      5.529326      6.003744
  H      -2.088270      4.473917      7.393247
  H      -1.862421      4.573883      5.628055
  H      -3.786035      0.929503      8.895117
  H      -4.220427      2.615524      8.539544
  H      -1.837722      0.971985      7.569407
  H      -1.769155      2.539666      8.401279
  C      -7.452761      2.277623     -0.426904
  C      -6.457257      1.779153      0.580905
  O      -5.511348      2.491703      0.937880
  C      -6.640650      0.421695      1.169680
  C      -7.632393     -0.491157      0.773464
  C      -7.744235     -1.725377      1.409305
  C      -6.860507     -2.059867      2.433508
  F      -7.008328     -3.247626      3.031051
  C      -5.843914     -1.178563      2.853546
  C      -4.772591     -1.539152      3.821111
  O      -4.481107     -2.687948      4.125338
  N      -4.003025     -0.441271      4.270935
  C      -2.709869     -0.634133      4.562133
  C      -5.778447      0.049390      2.199665
  C      -6.462016     10.946164     -1.132477
  C      -6.664896      9.565266     -0.553700
  O      -7.403879      8.750974     -1.098451
  C      -5.944329      9.210013      0.711897
  C      -5.061580     10.092123      1.358395
  C      -4.415631      9.705360      2.527080
  C      -4.645739      8.435080      3.051272
  F      -3.986416      8.127020      4.188920
  C      -5.527838      7.521018      2.444874
  C      -5.853770      6.134641      2.921294
  O      -6.790713      5.513385      2.408172
  N      -5.072811      5.643178      3.959821
  C      -4.969269      4.342340      4.023833
  C      -6.161422      7.948736      1.271319
  C     -12.027235      1.496955      0.880012
  C     -11.004151      0.766979      1.716525
  O     -10.926776     -0.458644      1.699892
  C     -10.074969      1.573487      2.570559
  C     -10.045416      2.979817      2.537657
  C      -9.166315      3.691087      3.345238
  C      -8.304941      2.987713      4.180074
  F      -7.523841      3.699577      5.020162
  C      -8.276785      1.585563      4.225155
  C      -7.447197      0.801922      5.181438
  O      -7.899620     -0.198310      5.729972
  N      -6.154229      1.270181      5.495131
  C      -5.775431      1.104593      6.766482
  C      -9.200003      0.899995      3.427925
  H      -8.458826      2.293659      0.018928
  H      -7.177457      3.285500     -0.752489
  H      -7.497963      1.600581     -1.293952
  H      -8.336559     -0.242061     -0.019913
  H      -8.528067     -2.432081      1.138662
  H      -2.200622     -1.605703      4.501319
  H      -5.009067      0.748083      2.498752
  H      -6.760969     11.718999     -0.407787
  H      -5.401079     11.119994     -1.368874
  H      -7.060682     11.046256     -2.043672
  H      -4.872114     11.086327      0.953225
  H      -3.729930     10.373490      3.048721
  H      -5.364883      3.706835      3.216719
  H      -6.850776      7.260862      0.780334
  H     -12.627182      0.767631      0.326103
  H     -11.540815      2.185059      0.171517
  H     -12.684621      2.108298      1.517146
  H     -10.718799      3.531245      1.881170
  H      -9.127415      4.778729      3.338842
  H      -6.479444      0.878895      7.578683
  H      -9.240392     -0.187812      3.479064
  N      -3.229743      2.196949      2.828668
  H      -2.627746      1.462670      2.443377
  H      -2.680418      3.061795      2.819492
  H      -3.994262      2.336280      2.137977
90
Coordinates from ORCA-job orca E -6670.501822078695
  N      -2.183103      0.494982      4.918783
  Mo     -3.900429      1.683433      5.005001
  N      -4.467705      1.305555      6.942782
  C      -3.740434      1.721096      8.123121
  C      -2.309513      1.947891      7.658721
  N      -2.239581      2.623202      6.310253
  C      -0.909723      2.314107      5.689411
  C      -0.841747      0.828228      5.335665
  C      -2.441323      4.106813      6.400142
  C      -3.904299      4.453038      6.193880
  N      -4.366223      3.685134      5.036316
  H      -0.109859      0.674413      4.526544
  H      -0.521451      0.204031      6.185564
  H      -0.841960      2.918671      4.775813
  H      -0.093310      2.614900      6.365070
  H      -4.520745      4.204869      7.070697
  H      -4.022791      5.528121      5.995546
  H      -2.051650      4.481275      7.358550
  H      -1.858701      4.562128      5.588516
  H      -3.748869      0.948793      8.909635
  H      -4.182070      2.634217      8.552786
  H      -1.822381      0.971966      7.557141
  H      -1.732038      2.542299      8.382189
  C      -7.440053      2.166366     -0.493524
  C      -6.463271      1.682617      0.539188
  O      -5.496573      2.383236      0.864672
  C      -6.677843      0.354943      1.182668
  C      -7.688186     -0.552920      0.825639
  C      -7.820398     -1.760341      1.507792
  C      -6.934887     -2.075773      2.536232
  F      -7.099113     -3.237736      3.177917
  C      -5.898089     -1.200097      2.916512
  C      -4.813980     -1.554384      3.872629
  O      -4.526445     -2.700526      4.190026
  N      -4.035702     -0.454817      4.302938
  C      -2.739376     -0.650638      4.575079
  C      -5.817344      0.004485      2.222706
  C      -6.569737     10.976785     -1.056964
  C      -6.776593      9.600121     -0.469895
  O      -7.547731      8.798836     -0.987849
  C      -6.014336      9.230639      0.767149
  C      -5.096906     10.098373      1.383172
  C      -4.413963      9.698892      2.526799
  C      -4.641173      8.429740      3.055121
  F      -3.943989      8.110706      4.166923
  C      -5.556554      7.528953      2.478316
  C      -5.884373      6.145253      2.960602
  O      -6.831620      5.529544      2.458883
  N      -5.078447      5.642581      3.973998
  C      -4.979577      4.340923      4.031739
  C      -6.226507      7.969483      1.329919
  C     -11.871725      1.560226      0.750864
  C     -10.895028      0.823573      1.634931
  O     -10.830622     -0.402645      1.629364
  C      -9.984738      1.626478      2.512512
  C      -9.923946      3.031626      2.456303
  C      -9.054146      3.738122      3.277625
  C      -8.235108      3.032064      4.152135
  F      -7.460324      3.743579      4.998686
  C      -8.242585      1.632548      4.226367
  C      -7.453143      0.851431      5.218014
  O      -7.936165     -0.134879      5.766267
  N      -6.149823      1.285492      5.530036
  C      -5.769060      1.127923      6.800639
  C      -9.154026      0.951270      3.410961
  H      -8.448304      2.226481     -0.056450
  H      -7.137492      3.153769     -0.855308
  H      -7.499027      1.459114     -1.335037
  H      -8.389692     -0.321864      0.024409
  H      -8.619010     -2.461144      1.267885
  H      -2.234834     -1.624791      4.516064
  H      -5.032187      0.697796      2.491930
  H      -6.824930     11.755524     -0.322377
  H      -5.515837     11.129644     -1.334614
  H      -7.200526     11.088278     -1.944560
  H      -4.909456     11.091844      0.974798
  H      -3.701089     10.356742      3.024909
  H      -5.390248      3.708317      3.230757
  H      -6.942979      7.293226      0.861970
  H     -12.459608      0.834991      0.178911
  H     -11.345157      2.233873      0.057276
  H     -12.544951      2.187267      1.355650
  H     -10.563412      3.584944      1.768215
  H      -8.990898      4.824325      3.250501
  H      -6.469176      0.916150      7.620179
  H      -9.214419     -0.134684      3.479434
  N      -3.275561      2.164967      2.829908
  H      -2.680358      1.426198      2.442728
  H      -2.725689      3.029343      2.806800
  H      -4.048893      2.301564      2.148674
90
Coordinates from ORCA-job orca E -6670.502244436499
  N      -2.176315      0.507758      4.915470
  Mo     -3.889751      1.694323      4.991983
  N      -4.470660      1.313298      6.923584
  C      -3.750916      1.720496      8.111675
  C      -2.316793      1.946775      7.656009
  N      -2.241560      2.625890      6.308166
  C      -0.906398      2.322806      5.697537
  C      -0.835780      0.839199      5.337292
  C      -2.443873      4.110405      6.407205
  C      -3.903036      4.459916      6.184197
  N      -4.353214      3.697438      5.021274
  H      -0.103967      0.689144      4.527597
  H      -0.515923      0.212857      6.185516
  H      -0.832961      2.931810      4.787101
  H      -0.096531      2.623430      6.381011
  H      -4.526483      4.211819      7.056410
  H      -4.013423      5.536171      5.986678
  H      -2.070208      4.475179      7.375490
  H      -1.846211      4.571842      5.610104
  H      -3.769425      0.946956      8.896302
  H      -4.190907      2.635954      8.538980
  H      -1.829271      0.971237      7.553489
  H      -1.741590      2.539910      8.381962
  C      -7.469061      2.155126     -0.478193
  C      -6.481765      1.691164      0.554215
  O      -5.523080      2.402518      0.877011
  C      -6.680238      0.359201      1.193560
  C      -7.692168     -0.549482      0.840670
  C      -7.815996     -1.759347      1.518662
  C      -6.922913     -2.075115      2.540755
  F      -7.080039     -3.240811      3.177757
  C      -5.886462     -1.197648      2.917943
  C      -4.804200     -1.547138      3.877271
  O      -4.525455     -2.690867      4.210637
  N      -4.023862     -0.446041      4.300017
  C      -2.727799     -0.640627      4.576160
  C      -5.811389      0.007736      2.224780
  C      -6.511900     11.021721     -1.054399
  C      -6.720290      9.638943     -0.482587
  O      -7.481340      8.839034     -1.018102
  C      -5.969309      9.259817      0.758084
  C      -5.061882     10.125151      1.392442
  C      -4.390218      9.717304      2.539394
  C      -4.619274      8.443052      3.053895
  F      -3.931873      8.114930      4.169357
  C      -5.524065      7.544126      2.458529
  C      -5.851958      6.155890      2.926815
  O      -6.779876      5.531683      2.400450
  N      -5.065203      5.654895      3.956957
  C      -4.959073      4.353519      4.011542
  C      -6.183378      7.992817      1.306547
  C     -11.922364      1.491332      0.771460
  C     -10.920540      0.770786      1.641010
  O     -10.831414     -0.454368      1.625765
  C     -10.019700      1.584579      2.517823
  C     -10.003693      2.991069      2.486164
  C      -9.151477      3.710839      3.315284
  C      -8.302040      3.015228      4.167938
  F      -7.545810      3.731909      5.026361
  C      -8.262234      1.613269      4.214273
  C      -7.445227      0.838718      5.188821
  O      -7.899777     -0.164137      5.730803
  N      -6.149462      1.301772      5.503779
  C      -5.771130      1.131897      6.775781
  C      -9.160091      0.918680      3.396377
  H      -8.480504      2.179621     -0.045386
  H      -7.193469      3.153788     -0.830873
  H      -7.500519      1.452685     -1.325391
  H      -8.402489     -0.315756      0.048055
  H      -8.614827     -2.461145      1.281025
  H      -2.222823     -1.614506      4.516533
  H      -5.026163      0.702832      2.490300
  H      -6.783162     11.792402     -0.316688
  H      -5.454509     11.182679     -1.314432
  H      -7.130787     11.137935     -1.949983
  H      -4.873066     11.122612      0.995006
  H      -3.684484     10.371855      3.051537
  H      -5.360949      3.722986      3.203974
  H      -6.892770      7.318474      0.826123
  H     -12.495408      0.757041      0.196183
  H     -11.418818      2.186502      0.082018
  H     -12.607938      2.093772      1.386998
  H     -10.667436      3.536313      1.814995
  H      -9.124058      4.798875      3.311055
  H      -6.474814      0.909111      7.588801
  H      -9.191902     -0.169492      3.445384
  N      -3.253718      2.175034      2.814864
  H      -2.657429      1.435804      2.430290
  H      -2.703851      3.039197      2.787995
  H      -4.026734      2.306729      2.132645
90
Coordinates from ORCA-job orca E -6670.501051205611
  N      -2.162135      0.515109      4.921917
  Mo     -3.886998      1.689669      4.976524
  N      -4.486494      1.313236      6.905644
  C      -3.784667      1.735487      8.099020
  C      -2.345814      1.967188      7.661411
  N      -2.254805      2.638213      6.311625
  C      -0.911422      2.334457      5.719395
  C      -0.832478      0.849757      5.370869
  C      -2.464299      4.121016      6.399945
  C      -3.923327      4.460289      6.167957
  N      -4.359315      3.690881      5.003105
  H      -0.081987      0.695595      4.579058
  H      -0.531554      0.228294      6.229191
  H      -0.826494      2.937281      4.806114
  H      -0.110279      2.639838      6.411329
  H      -4.552498      4.208525      7.035111
  H      -4.041064      5.534997      5.967832
  H      -2.096870      4.494295      7.367264
  H      -1.866951      4.581952      5.602023
  H      -3.804661      0.966088      8.887992
  H      -4.237600      2.648949      8.515923
  H      -1.851880      0.994188      7.573394
  H      -1.785042      2.567645      8.392959
  C      -7.602935      2.263007     -0.284458
  C      -6.596586      1.779700      0.719879
  O      -5.692232      2.526489      1.114125
  C      -6.721325      0.399093      1.266379
  C      -7.672990     -0.544025      0.843479
  C      -7.732476     -1.799499      1.444968
  C      -6.834753     -2.124720      2.459435
  F      -6.932716     -3.333150      3.025898
  C      -5.851293     -1.214697      2.898249
  C      -4.762136     -1.558804      3.849356
  O      -4.449875     -2.703263      4.148542
  N      -3.996619     -0.450440      4.281258
  C      -2.702896     -0.635588      4.575176
  C      -5.839357      0.033035      2.281335
  C      -6.458095     11.056261     -1.060288
  C      -6.657767      9.661903     -0.512800
  O      -7.405347      8.862718     -1.067939
  C      -5.920591      9.273498      0.733451
  C      -5.029031     10.138260      1.391645
  C      -4.367040      9.719459      2.539766
  C      -4.591078      8.435556      3.032185
  F      -3.912152      8.093950      4.148807
  C      -5.481933      7.538205      2.414276
  C      -5.799606      6.138241      2.859061
  O      -6.733797      5.523292      2.333983
  N      -5.040423      5.642126      3.909993
  C      -4.950529      4.340758      3.982435
  C      -6.130321      7.997850      1.261259
  C     -12.007808      1.443031      0.827166
  C     -10.996275      0.718232      1.682780
  O     -10.949524     -0.508638      1.710160
  C     -10.048228      1.533137      2.508335
  C      -9.990310      2.937233      2.428137
  C      -9.099155      3.658129      3.213011
  C      -8.252656      2.966218      4.072407
  F      -7.459437      3.691221      4.889718
  C      -8.250575      1.565484      4.163407
  C      -7.434811      0.797897      5.144286
  O      -7.906165     -0.175796      5.724064
  N      -6.144789      1.267309      5.464229
  C      -5.783197      1.128319      6.743355
  C      -9.186599      0.871532      3.387898
  H      -8.615060      2.214034      0.144900
  H      -7.374382      3.294557     -0.570091
  H      -7.602257      1.617814     -1.176217
  H      -8.389420     -0.302512      0.059255
  H      -8.485987     -2.530804      1.153907
  H      -2.190334     -1.606280      4.530392
  H      -5.100237      0.754902      2.600763
  H      -6.740148     11.813119     -0.312176
  H      -5.400185     11.230519     -1.311127
  H      -7.071665     11.181430     -1.958676
  H      -4.844287     11.142969      1.011294
  H      -3.672601     10.372332      3.068812
  H      -5.336067      3.703723      3.171103
  H      -6.825136      7.323176      0.760146
  H     -12.634580      0.709228      0.309703
  H     -11.508372      2.085075      0.085406
  H     -12.639798      2.099865      1.443740
  H     -10.651929      3.479537      1.752536
  H      -9.039261      4.743982      3.170329
  H      -6.495659      0.916548      7.552010
  H      -9.246575     -0.213014      3.474844
  N      -3.225433      2.172452      2.810192
  H      -2.614210      1.438025      2.440143
  H      -2.684264      3.042276      2.791160
  H      -3.984938      2.294664      2.111511
90
Coordinates from ORCA-job orca E -6670.502280560400
  N      -2.181277      0.502544      4.923520
  Mo     -3.896662      1.689851      4.992402
  N      -4.479091      1.322572      6.927782
  C      -3.760062      1.738414      8.113162
  C      -2.324992      1.960184      7.658088
  N      -2.245313      2.630050      6.306676
  C      -0.910415      2.319104      5.699419
  C      -0.842764      0.832969      5.351298
  C      -2.445632      4.114471      6.394884
  C      -3.905026      4.462578      6.173513
  N      -4.356142      3.693903      5.013990
  H      -0.105425      0.674276      4.548180
  H      -0.530855      0.211905      6.206288
  H      -0.834150      2.920784      4.784448
  H      -0.099995      2.622126      6.381355
  H      -4.528209      4.217216      7.046623
  H      -4.017312      5.537646      5.971427
  H      -2.067957      4.486818      7.358769
  H      -1.851538      4.570139      5.591710
  H      -3.777749      0.969430      8.902457
  H      -4.200863      2.655707      8.535167
  H      -1.838869      0.983359      7.563797
  H      -1.750979      2.556806      8.382337
  C      -7.435976      2.137784     -0.497330
  C      -6.469089      1.676570      0.555450
  O      -5.528467      2.399431      0.906065
  C      -6.667546      0.341658      1.188679
  C      -7.661941     -0.578005      0.815487
  C      -7.781645     -1.792806      1.486368
  C      -6.900992     -2.102936      2.520653
  F      -7.053219     -3.274065      3.149239
  C      -5.881018     -1.214536      2.917583
  C      -4.807276     -1.557641      3.888286
  O      -4.520302     -2.700652      4.217224
  N      -4.028846     -0.453896      4.308348
  C      -2.733974     -0.647045      4.589854
  C      -5.810383     -0.004666      2.231917
  C      -6.537945     11.055964     -1.023495
  C      -6.732973      9.664389     -0.468103
  O      -7.499800      8.869475     -1.002668
  C      -5.971894      9.275231      0.763432
  C      -5.061816     10.136614      1.399674
  C      -4.378218      9.717825      2.535514
  C      -4.598911      8.437025      3.037334
  F      -3.899030      8.097105      4.141491
  C      -5.507460      7.542612      2.440916
  C      -5.826206      6.147320      2.895998
  O      -6.770115      5.534752      2.384725
  N      -5.049111      5.648434      3.933443
  C      -4.955544      4.346891      3.999577
  C      -6.177817      8.002096      1.300039
  C     -11.956365      1.502154      0.805186
  C     -10.952404      0.777837      1.669485
  O     -10.883833     -0.448482      1.672384
  C     -10.033755      1.590549      2.529084
  C      -9.996251      2.996359      2.476897
  C      -9.128439      3.714966      3.290161
  C      -8.285710      3.018977      4.149576
  F      -7.515830      3.738023      4.993841
  C      -8.265569      1.617425      4.214845
  C      -7.453186      0.843664      5.193701
  O      -7.917937     -0.147289      5.749055
  N      -6.156004      1.300764      5.506094
  C      -5.779516      1.144359      6.779699
  C      -9.178034      0.924735      3.411081
  H      -8.456430      2.162811     -0.086746
  H      -7.154573      3.136711     -0.845028
  H      -7.449004      1.435680     -1.345202
  H      -8.361952     -0.349909      0.012347
  H      -8.567008     -2.503966      1.232144
  H      -2.228864     -1.621473      4.540980
  H      -5.037309      0.697948      2.512146
  H      -6.800598     11.816142     -0.271881
  H      -5.484916     11.223856     -1.296858
  H      -7.169725     11.181927     -1.908777
  H      -4.879316     11.138994      1.011869
  H      -3.669162     10.368570      3.047841
  H      -5.356018      3.712889      3.193855
  H      -6.887625      7.330008      0.816692
  H     -12.554592      0.768797      0.254725
  H     -11.451491      2.172411      0.092453
  H     -12.617555      2.130943      1.420853
  H     -10.654669      3.541759      1.800595
  H      -9.083823      4.802271      3.268967
  H      -6.484259      0.933502      7.595154
  H      -9.223117     -0.162200      3.475577
  N      -3.262319      2.156034      2.814194
  H      -2.661058      1.416378      2.438216
  H      -2.716886      3.022830      2.781948
  H      -4.032948      2.278351      2.127728
90
Coordinates from ORCA-job orca E -6670.501891326851
  N      -2.162487      0.533877      4.898025
  Mo     -3.890592      1.699350      4.986440
  N      -4.466408      1.301195      6.916832
  C      -3.748806      1.705267      8.106969
  C      -2.317652      1.949816      7.650703
  N      -2.250513      2.640800      6.309235
  C      -0.913393      2.357955      5.692878
  C      -0.825814      0.877977      5.321430
  C      -2.470980      4.121003      6.420077
  C      -3.934769      4.453416      6.201575
  N      -4.374626      3.696699      5.030162
  H      -0.092005      0.742023      4.511003
  H      -0.498720      0.249786      6.165566
  H      -0.850152      2.974909      4.787046
  H      -0.104992      2.662677      6.376281
  H      -4.555505      4.187168      7.070176
  H      -4.060369      5.529797      6.014741
  H      -2.099296      4.483310      7.390098
  H      -1.881477      4.596351      5.625030
  H      -3.756741      0.924620      8.884789
  H      -4.197325      2.612030      8.543682
  H      -1.821078      0.979636      7.539905
  H      -1.747587      2.541636      8.381904
  C      -7.533764      2.069245     -0.493263
  C      -6.541366      1.635950      0.547490
  O      -5.599294      2.371885      0.865034
  C      -6.710476      0.305938      1.199073
  C      -7.706430     -0.625064      0.859758
  C      -7.799926     -1.833487      1.545149
  C      -6.891550     -2.126214      2.560334
  F      -7.019211     -3.291668      3.204472
  C      -5.868914     -1.226386      2.923419
  C      -4.768303     -1.554993      3.869809
  O      -4.471450     -2.693135      4.206365
  N      -4.001189     -0.441863      4.286794
  C      -2.701981     -0.620018      4.557574
  C      -5.825557     -0.022539      2.224913
  C      -6.479559     11.012240     -1.059428
  C      -6.707380      9.637210     -0.476460
  O      -7.469421      8.839062     -1.013023
  C      -5.964586      9.259061      0.769597
  C      -5.053935     10.121029      1.403639
  C      -4.390231      9.713854      2.555591
  C      -4.630500      8.443799      3.075213
  F      -3.947972      8.116245      4.194015
  C      -5.539985      7.548740      2.481125
  C      -5.883727      6.166451      2.955678
  O      -6.771574      5.524087      2.383468
  N      -5.100355      5.659164      3.985053
  C      -4.982157      4.358158      4.024796
  C      -6.189410      7.996022      1.323018
  C     -11.903040      1.579389      0.758084
  C     -10.912877      0.836550      1.622228
  O     -10.831654     -0.388627      1.585656
  C     -10.004006      1.629751      2.509441
  C      -9.972476      3.036624      2.493346
  C      -9.113150      3.738011      3.330559
  C      -8.271710      3.023370      4.175277
  F      -7.506313      3.721314      5.041118
  C      -8.246650      1.620859      4.205396
  C      -7.433096      0.828744      5.168073
  O      -7.896395     -0.172583      5.705794
  N      -6.138791      1.287271      5.492470
  C      -5.764876      1.111504      6.764968
  C      -9.151670      0.944564      3.379848
  H      -8.548144      2.077290     -0.066735
  H      -7.277510      3.070570     -0.853064
  H      -7.545812      1.360436     -1.335511
  H      -8.427797     -0.411081      0.071497
  H      -8.585858     -2.552649      1.317230
  H      -2.184837     -1.587355      4.494919
  H      -5.052688      0.689416      2.480259
  H      -6.744777     11.793441     -0.330808
  H      -5.419016     11.157436     -1.315888
  H      -7.092281     11.127460     -1.959312
  H      -4.856360     11.115376      1.002572
  H      -3.681520     10.365672      3.067202
  H      -5.374493      3.733584      3.208227
  H      -6.901132      7.323984      0.842406
  H     -12.485588      0.858793      0.175127
  H     -11.386886      2.272199      0.075356
  H     -12.580562      2.186980      1.377308
  H     -10.629571      3.596476      1.827697
  H      -9.073237      4.825631      3.337542
  H      -6.469110      0.880416      7.575190
  H      -9.193553     -0.143828      3.416291
  N      -3.271177      2.194118      2.809710
  H      -2.664085      1.464996      2.422665
  H      -2.735309      3.067147      2.783180
  H      -4.047347      2.315764      2.128801
90
Coordinates from ORCA-job orca E -6670.502436474908
  N      -2.182696      0.506294      4.915424
  Mo     -3.898171      1.690975      4.988625
  N      -4.476453      1.329244      6.925319
  C      -3.752142      1.741887      8.108538
  C      -2.318726      1.961778      7.646723
  N      -2.246080      2.633729      6.295924
  C      -0.913112      2.328619      5.681823
  C      -0.841470      0.842897      5.330921
  C      -2.451038      4.117752      6.387581
  C      -3.910773      4.462603      6.161814
  N      -4.356415      3.694952      4.999710
  H      -0.111384      0.688689      4.520398
  H      -0.518291      0.222851      6.182498
  H      -0.844880      2.932019      4.767270
  H      -0.100489      2.634513      6.359736
  H      -4.535682      4.214219      7.032763
  H      -4.024662      5.537715      5.960759
  H      -2.078116      4.488266      7.353984
  H      -1.854805      4.577106      5.588185
  H      -3.768891      0.972807      8.897625
  H      -4.188878      2.660421      8.532400
  H      -1.834669      0.984127      7.548067
  H      -1.739715      2.556432      8.368540
  C      -7.473441      2.047085     -0.494270
  C      -6.505508      1.614055      0.569773
  O      -5.569736      2.348282      0.908829
  C      -6.695290      0.286961      1.221396
  C      -7.693166     -0.637296      0.869116
  C      -7.809139     -1.841192      1.559519
  C      -6.920151     -2.136770      2.591061
  F      -7.069428     -3.297248      3.239456
  C      -5.895029     -1.244506      2.965157
  C      -4.813035     -1.573235      3.931435
  O      -4.526863     -2.710230      4.281242
  N      -4.032930     -0.462216      4.328076
  C      -2.735251     -0.648611      4.599621
  C      -5.829656     -0.044633      2.261945
  C      -6.572538     11.109606     -0.969793
  C      -6.774334      9.717039     -0.419620
  O      -7.556602      8.933325     -0.948195
  C      -5.990010      9.307897      0.790695
  C      -5.060913     10.155528      1.417490
  C      -4.358236      9.719445      2.535077
  C      -4.578559      8.435198      3.028033
  F      -3.857288      8.079493      4.113416
  C      -5.504805      7.553145      2.440023
  C      -5.826960      6.156187      2.887162
  O      -6.751663      5.536151      2.349936
  N      -5.054219      5.651439      3.925956
  C      -4.954628      4.349884      3.984509
  C      -6.193614      8.029875      1.316907
  C     -11.879229      1.541827      0.726093
  C     -10.898050      0.811480      1.611002
  O     -10.827992     -0.414952      1.604793
  C      -9.991989      1.617551      2.489587
  C      -9.949845      3.023359      2.443158
  C      -9.093746      3.736647      3.273634
  C      -8.266695      3.034639      4.142888
  F      -7.506655      3.746166      5.002457
  C      -8.251577      1.633064      4.203157
  C      -7.451454      0.856185      5.189278
  O      -7.923812     -0.132535      5.742050
  N      -6.151839      1.306175      5.504089
  C      -5.777182      1.150033      6.778812
  C      -9.153012      0.945452      3.383087
  H      -8.500737      2.036001     -0.100735
  H      -7.218718      3.054782     -0.836908
  H      -7.448860      1.346220     -1.343252
  H      -8.400281     -0.419662      0.069264
  H      -8.598213     -2.554347      1.323129
  H      -2.226615     -1.621434      4.555276
  H      -5.054608      0.662164      2.526306
  H      -6.814741     11.867965     -0.209604
  H      -5.522285     11.267364     -1.259137
  H      -7.217298     11.248085     -1.843692
  H      -4.878848     11.160842      1.037011
  H      -3.633872     10.359134      3.039963
  H      -5.353109      3.718874      3.175608
  H      -6.918395      7.368406      0.841421
  H     -12.461588      0.812563      0.153746
  H     -11.356357      2.219264      0.033329
  H     -12.557775      2.164232      1.329345
  H     -10.595570      3.573169      1.758299
  H      -9.045721      4.823909      3.257391
  H      -6.482240      0.938798      7.593734
  H      -9.202354     -0.141637      3.441758
  N      -3.287020      2.137454      2.798742
  H      -2.686492      1.396430      2.424289
  H      -2.745902      3.006272      2.750467
  H      -4.065637      2.248589      2.119460
90
Coordinates from ORCA-job orca E -6670.502333957912
  N      -2.168008      0.516581      4.922096
  Mo     -3.890102      1.695105      4.979408
  N      -4.485744      1.335338      6.912679
  C      -3.772795      1.750347      8.101856
  C      -2.335592      1.972631      7.653866
  N      -2.250849      2.644812      6.304756
  C      -0.911814      2.341671      5.703010
  C      -0.833503      0.856012      5.355296
  C      -2.460943      4.127568      6.393464
  C      -3.919635      4.466878      6.155258
  N      -4.350455      3.698415      4.987138
  H      -0.091586      0.702320      4.555383
  H      -0.521232      0.236906      6.211506
  H      -0.835789      2.943750      4.788344
  H      -0.105633      2.649177      6.388034
  H      -4.552801      4.213510      7.018780
  H      -4.037225      5.541645      5.955253
  H      -2.096727      4.500500      7.362237
  H      -1.860976      4.588950      5.597944
  H      -3.793537      0.980443      8.890235
  H      -4.216150      2.666783      8.522898
  H      -1.849274      0.995917      7.560249
  H      -1.765019      2.567793      8.382160
  C      -7.507864      1.938829     -0.542444
  C      -6.529012      1.530171      0.520971
  O      -5.593723      2.276752      0.834713
  C      -6.703402      0.215903      1.201797
  C      -7.693411     -0.725284      0.873733
  C      -7.792972     -1.916551      1.588632
  C      -6.894574     -2.182982      2.619447
  F      -7.027690     -3.332244      3.291113
  C      -5.875039     -1.274148      2.968866
  C      -4.781331     -1.581382      3.929289
  O      -4.485880     -2.712495      4.290373
  N      -4.010888     -0.461150      4.320966
  C      -2.714939     -0.640646      4.604866
  C      -5.826889     -0.086940      2.243018
  C      -6.580864     11.166373     -0.923069
  C      -6.766437      9.761881     -0.397537
  O      -7.548004      8.982108     -0.932797
  C      -5.978689      9.341485      0.806824
  C      -5.055135     10.186772      1.445259
  C      -4.346373      9.738606      2.554048
  C      -4.556226      8.445135      3.027276
  F      -3.828030      8.076485      4.103656
  C      -5.478237      7.565915      2.428467
  C      -5.787983      6.158881      2.854238
  O      -6.713318      5.543207      2.313612
  N      -5.029741      5.654757      3.902900
  C      -4.935548      4.353261      3.965110
  C      -6.171929      8.054553      1.313975
  C     -11.934136      1.584299      0.761035
  C     -10.934488      0.844042      1.616855
  O     -10.880006     -0.382973      1.613391
  C     -10.008597      1.642134      2.482460
  C      -9.952567      3.047601      2.433693
  C      -9.079950      3.753029      3.252859
  C      -8.251448      3.044095      4.115614
  F      -7.477819      3.751684      4.966536
  C      -8.248678      1.642598      4.177140
  C      -7.449015      0.858411      5.158012
  O      -7.927899     -0.125171      5.714364
  N      -6.151167      1.305834      5.478373
  C      -5.784760      1.156082      6.755415
  C      -9.165064      0.963067      3.366281
  H      -8.531906      1.933191     -0.141433
  H      -7.259244      2.940104     -0.907933
  H      -7.487938      1.221316     -1.377495
  H      -8.406751     -0.530974      0.073759
  H      -8.575420     -2.642921      1.370893
  H      -2.201031     -1.611200      4.573380
  H      -5.057223      0.631802      2.487991
  H      -6.824758     11.908950     -0.147901
  H      -5.533826     11.338793     -1.216115
  H      -7.231971     11.314737     -1.790742
  H      -4.881124     11.199070      1.079971
  H      -3.624895     10.375569      3.066321
  H      -5.322213      3.721390      3.150958
  H      -6.890565      7.393934      0.827835
  H     -12.542491      0.860696      0.208655
  H     -11.424844      2.252963      0.050009
  H     -12.585703      2.216868      1.382976
  H     -10.600004      3.602891      1.754907
  H      -9.021091      4.839672      3.233780
  H      -6.495434      0.948391      7.566583
  H      -9.222812     -0.123500      3.427484
  N      -3.259241      2.139489      2.797622
  H      -2.650305      1.400115      2.433615
  H      -2.721612      3.010718      2.754183
  H      -4.029333      2.245985      2.107392
90
Coordinates from ORCA-job orca E -6670.502598966657
  N      -2.178285      0.517317      4.913545
  Mo     -3.898925      1.695513      4.979868
  N      -4.485509      1.342281      6.916019
  C      -3.763830      1.753257      8.101367
  C      -2.328886      1.970539      7.643280
  N      -2.252973      2.644896      6.294438
  C      -0.917884      2.345033      5.683035
  C      -0.839607      0.859760      5.332688
  C      -2.464146      4.127548      6.387770
  C      -3.923029      4.466626      6.148957
  N      -4.353070      3.699922      4.979733
  H      -0.106603      0.708822      4.524125
  H      -0.516172      0.240692      6.184797
  H      -0.850248      2.948363      4.768440
  H      -0.107444      2.653802      6.362360
  H      -4.555887      4.211773      7.012235
  H      -4.040374      5.541674      5.950177
  H      -2.101887      4.497160      7.358520
  H      -1.862897      4.591830      5.595024
  H      -3.783691      0.983574      8.889843
  H      -4.200330      2.672051      8.524841
  H      -1.846798      0.992096      7.543900
  H      -1.750317      2.562609      8.367701
  C      -7.490523      1.903539     -0.538137
  C      -6.529124      1.510497      0.547322
  O      -5.609636      2.268062      0.879952
  C      -6.703462      0.194483      1.225107
  C      -7.688125     -0.749550      0.888384
  C      -7.791469     -1.939980      1.603939
  C      -6.901836     -2.203072      2.643485
  F      -7.039060     -3.351412      3.315881
  C      -5.886859     -1.292137      2.999954
  C      -4.800803     -1.592253      3.970800
  O      -4.503380     -2.720354      4.339674
  N      -4.026062     -0.468708      4.342880
  C      -2.727832     -0.644335      4.616043
  C      -5.835052     -0.105676      2.273185
  C      -6.609702     11.197789     -0.886748
  C      -6.803225      9.795099     -0.359587
  O      -7.606906      9.027276     -0.879152
  C      -5.991780      9.359741      0.823581
  C      -5.043958     10.191471      1.443736
  C      -4.315062      9.730315      2.534045
  C      -4.529070      8.437595      3.007333
  F      -3.778368      8.056606      4.063868
  C      -5.474754      7.571344      2.426529
  C      -5.793083      6.167238      2.854701
  O      -6.704823      5.545859      2.297489
  N      -5.035321      5.658607      3.902083
  C      -4.938511      4.357151      3.958812
  C      -6.187523      8.072556      1.329445
  C     -11.894278      1.589758      0.721914
  C     -10.905508      0.852652      1.592701
  O     -10.848619     -0.374449      1.591040
  C      -9.988140      1.652922      2.465011
  C      -9.930356      3.057965      2.411014
  C      -9.066489      3.766008      3.237350
  C      -8.248214      3.059659      4.111614
  F      -7.482735      3.768939      4.968517
  C      -8.247411      1.658350      4.178882
  C      -7.457348      0.877863      5.170609
  O      -7.941296     -0.102714      5.727756
  N      -6.155911      1.318393      5.488535
  C      -5.785916      1.165685      6.764766
  C      -9.155323      0.976282      3.360958
  H      -8.527037      1.843202     -0.176256
  H      -7.271104      2.921578     -0.874672
  H      -7.408129      1.205810     -1.386577
  H      -8.395032     -0.557059      0.082253
  H      -8.570520     -2.668221      1.380312
  H      -2.211362     -1.613687      4.589278
  H      -5.068924      0.615357      2.523550
  H      -6.828155     11.941948     -0.105536
  H      -5.566741     11.356971     -1.200787
  H      -7.276649     11.356380     -1.740396
  H      -4.866703     11.203269      1.078561
  H      -3.573934     10.356292      3.031676
  H      -5.327754      3.727776      3.144070
  H      -6.924928      7.422249      0.857852
  H     -12.490657      0.864488      0.158925
  H     -11.377340      2.262814      0.020585
  H     -12.558648      2.217786      1.335031
  H     -10.569696      3.611082      1.722889
  H      -9.006161      4.852499      3.214636
  H      -6.494441      0.959468      7.578065
  H      -9.215414     -0.109983      3.425344
  N      -3.298881      2.118830      2.784346
  H      -2.689058      1.379491      2.421751
  H      -2.768869      2.993559      2.721446
  H      -4.079065      2.208978      2.103587
90
Coordinates from ORCA-job orca E -6670.502693708799
  N      -2.177896      0.506162      4.917668
  Mo     -3.895924      1.687715      4.977311
  N      -4.486472      1.351479      6.914547
  C      -3.762226      1.762106      8.098365
  C      -2.326395      1.971080      7.637899
  N      -2.249342      2.640361      6.286445
  C      -0.914959      2.337561      5.675315
  C      -0.837540      0.850905      5.330291
  C      -2.459190      4.123725      6.374270
  C      -3.916436      4.463659      6.127030
  N      -4.341578      3.693624      4.958274
  H      -0.107682      0.697030      4.519473
  H      -0.510628      0.235614      6.183833
  H      -0.848476      2.937555      4.758396
  H      -0.103799      2.648929      6.352557
  H      -4.553494      4.211901      6.988078
  H      -4.031403      5.538183      5.924061
  H      -2.101548      4.495742      7.345794
  H      -1.853215      4.584908      5.583358
  H      -3.785970      0.995569      8.889701
  H      -4.193427      2.685021      8.518566
  H      -1.848983      0.989961      7.541202
  H      -1.744076      2.562971      8.359424
  C      -7.488592      1.803615     -0.546812
  C      -6.535677      1.433234      0.554168
  O      -5.616372      2.195601      0.876017
  C      -6.713073      0.129011      1.253570
  C      -7.703405     -0.816435      0.937170
  C      -7.809233     -1.993408      1.674331
  C      -6.916502     -2.242166      2.714794
  F      -7.056412     -3.377239      3.408643
  C      -5.895759     -1.329857      3.050385
  C      -4.806221     -1.615920      4.021068
  O      -4.516312     -2.736715      4.417394
  N      -4.028982     -0.486856      4.370692
  C      -2.729929     -0.659303      4.640228
  C      -5.841983     -0.156791      2.303016
  C      -6.698949     11.242469     -0.816678
  C      -6.882134      9.834075     -0.301456
  O      -7.691767      9.070094     -0.817410
  C      -6.037560      9.381203      0.851544
  C      -5.076226     10.205721      1.460273
  C      -4.317265      9.728926      2.523078
  C      -4.514928      8.427940      2.980441
  F      -3.733636      8.031797      4.009032
  C      -5.472619      7.567967      2.410138
  C      -5.776757      6.156852      2.824345
  O      -6.680656      5.530869      2.259318
  N      -5.021926      5.650253      3.875359
  C      -4.922088      4.348960      3.932659
  C      -6.215202      8.084658      1.340090
  C     -11.820580      1.679395      0.645132
  C     -10.849448      0.929991      1.525077
  O     -10.778033     -0.296090      1.491880
  C      -9.946356      1.717347      2.423244
  C      -9.888634      3.122879      2.390158
  C      -9.037826      3.819180      3.239746
  C      -8.231474      3.100311      4.114656
  F      -7.477682      3.796662      4.992512
  C      -8.231515      1.698297      4.162495
  C      -7.453451      0.905233      5.153920
  O      -7.949268     -0.072006      5.706277
  N      -6.150460      1.335498      5.481251
  C      -5.787628      1.181451      6.759961
  C      -9.127583      1.027792      3.322431
  H      -8.529516      1.730888     -0.201101
  H      -7.278126      2.821434     -0.889806
  H      -7.382088      1.099968     -1.387822
  H      -8.413202     -0.635069      0.131027
  H      -8.592640     -2.721729      1.466563
  H      -2.214131     -1.629257      4.623923
  H      -5.071792      0.565036      2.538096
  H      -6.903334     11.977836     -0.023483
  H      -5.662161     11.405755     -1.148510
  H      -7.382054     11.410063     -1.655673
  H      -4.912006     11.224224      1.107819
  H      -3.564617     10.348777      3.011050
  H      -5.310435      3.718919      3.118178
  H      -6.962906      7.439551      0.877823
  H     -12.398249      0.962736      0.052469
  H     -11.290492      2.370221     -0.028649
  H     -12.503893      2.290535      1.254442
  H     -10.517404      3.685573      1.700120
  H      -8.977886      4.905905      3.233510
  H      -6.500946      0.981936      7.570626
  H      -9.189160     -0.059217      3.370405
  N      -3.314654      2.078706      2.771004
  H      -2.704608      1.335905      2.415916
  H      -2.788891      2.954395      2.688575
  H      -4.100889      2.153735      2.095377
90
Coordinates from ORCA-job orca E -6670.502853634188
  N      -2.180080      0.511110      4.915220
  Mo     -3.899226      1.691072      4.974692
  N      -4.491942      1.361451      6.912578
  C      -3.766229      1.769469      8.096269
  C      -2.329892      1.974795      7.634831
  N      -2.252164      2.644810      6.284098
  C      -0.917997      2.343451      5.672208
  C      -0.839561      0.857306      5.326130
  C      -2.462887      4.127668      6.373393
  C      -3.919289      4.466762      6.121428
  N      -4.339002      3.698215      4.949656
  H      -0.110530      0.704697      4.514324
  H      -0.510926      0.242060      6.179016
  H      -0.852669      2.944254      4.755753
  H      -0.106580      2.654966      6.349110
  H      -4.559398      4.212022      6.979301
  H      -4.034614      5.541456      5.919964
  H      -2.108993      4.498409      7.346758
  H      -1.854548      4.590732      5.585406
  H      -3.791078      1.002559      8.887184
  H      -4.194733      2.693293      8.517316
  H      -1.855318      0.992357      7.537232
  H      -1.745584      2.564393      8.356679
  C      -7.478438      1.720686     -0.576856
  C      -6.542067      1.374160      0.545939
  O      -5.636329      2.150851      0.872486
  C      -6.716202      0.076801      1.259158
  C      -7.700371     -0.878059      0.950689
  C      -7.803155     -2.045820      1.703151
  C      -6.913232     -2.276949      2.749984
  F      -7.050473     -3.403378      3.458423
  C      -5.897103     -1.356097      3.076278
  C      -4.808294     -1.625623      4.052265
  O      -4.515124     -2.740321      4.463228
  N      -4.031989     -0.490407      4.384765
  C      -2.731901     -0.657576      4.651036
  C      -5.846755     -0.192450      2.314452
  C      -6.735264     11.289827     -0.760225
  C      -6.910780      9.875655     -0.258358
  O      -7.738273      9.122066     -0.761092
  C      -6.044660      9.408065      0.872596
  C      -5.068179     10.223100      1.470029
  C      -4.288259      9.732265      2.511090
  C      -4.481323      8.427351      2.959032
  F      -3.677117      8.015856      3.963874
  C      -5.454444      7.577191      2.400723
  C      -5.756112      6.163618      2.807579
  O      -6.648760      5.534146      2.228676
  N      -5.010613      5.657105      3.865329
  C      -4.913121      4.355586      3.922138
  C      -6.216415      8.107014      1.350949
  C     -11.817068      1.708690      0.632694
  C     -10.840102      0.956352      1.503614
  O     -10.775693     -0.270323      1.472773
  C      -9.935144      1.740192      2.402686
  C      -9.873292      3.145521      2.369662
  C      -9.023860      3.839309      3.222315
  C      -8.222643      3.118126      4.099938
  F      -7.469892      3.812652      4.980554
  C      -8.226608      1.716034      4.147970
  C      -7.457268      0.921906      5.145648
  O      -7.959262     -0.052814      5.696617
  N      -6.152761      1.345472      5.475421
  C      -5.793320      1.194813      6.755804
  C      -9.121056      1.048021      3.304206
  H      -8.525704      1.630111     -0.256573
  H      -7.278950      2.740344     -0.921286
  H      -7.337574      1.015494     -1.411572
  H      -8.408521     -0.711254      0.140209
  H      -8.581481     -2.781195      1.500903
  H      -2.214074     -1.626575      4.641785
  H      -5.080655      0.535370      2.543223
  H      -6.920467     12.016405      0.045718
  H      -5.705539     11.454400     -1.112752
  H      -7.436091     11.469097     -1.582051
  H      -4.907939     11.244848      1.125273
  H      -3.522167     10.343774      2.988545
  H      -5.299032      3.727479      3.104984
  H      -6.974744      7.468236      0.896959
  H     -12.402121      0.993788      0.045192
  H     -11.290365      2.397445     -0.045854
  H     -12.492923      2.322390      1.247664
  H     -10.498065      3.710021      1.677589
  H      -8.961390      4.925819      3.216428
  H      -6.509006      0.999330      7.565338
  H      -9.186924     -0.038727      3.352581
  N      -3.336959      2.063398      2.761989
  H      -2.723986      1.320723      2.411643
  H      -2.817846      2.941625      2.665436
  H      -4.128359      2.124817      2.090712
90
Coordinates from ORCA-job orca E -6670.503030834285
  N      -2.186351      0.522511      4.910815
  Mo     -3.905968      1.702984      4.973584
  N      -4.500586      1.380036      6.913753
  C      -3.772324      1.783414      8.097064
  C      -2.334978      1.982651      7.634809
  N      -2.253780      2.652959      6.285270
  C      -0.920311      2.349076      5.673644
  C      -0.845915      0.864177      5.324735
  C      -2.460058      4.135498      6.376511
  C      -3.914862      4.478239      6.124347
  N      -4.334071      3.713512      4.949873
  H      -0.115217      0.710860      4.514535
  H      -0.521264      0.246650      6.177456
  H      -0.852497      2.952033      4.758868
  H      -0.108211      2.656449      6.351726
  H      -4.556708      4.220574      6.980006
  H      -4.028315      5.553585      5.926066
  H      -2.105501      4.504127      7.350438
  H      -1.850660      4.598696      5.589358
  H      -3.797683      1.014854      8.886386
  H      -4.196650      2.707841      8.520925
  H      -1.865235      0.997896      7.537091
  H      -1.748317      2.568455      8.357958
  C      -7.487602      1.633426     -0.614841
  C      -6.560154      1.306066      0.520754
  O      -5.668313      2.099194      0.847560
  C      -6.727427      0.017564      1.251708
  C      -7.704598     -0.949537      0.958033
  C      -7.800484     -2.104937      1.731040
  C      -6.912137     -2.312277      2.783777
  F      -7.044529     -3.426412      3.512589
  C      -5.901988     -1.379388      3.095313
  C      -4.815575     -1.626444      4.079838
  O      -4.515337     -2.734140      4.504460
  N      -4.040408     -0.484496      4.394918
  C      -2.739308     -0.647679      4.657897
  C      -5.856892     -0.229899      2.312354
  C      -6.769569     11.354386     -0.683744
  C      -6.941611      9.935621     -0.193529
  O      -7.796155      9.197384     -0.673336
  C      -6.042940      9.447190      0.902661
  C      -5.039504     10.246790      1.476426
  C      -4.228329      9.736617      2.483815
  C      -4.419310      8.428673      2.923449
  F      -3.581032      7.992706      3.889793
  C      -5.419666      7.595129      2.390366
  C      -5.720449      6.180673      2.793592
  O      -6.604261      5.549024      2.203545
  N      -4.988063      5.677406      3.862384
  C      -4.900116      4.374908      3.922093
  C      -6.210159      8.142180      1.371260
  C     -11.811714      1.698342      0.614624
  C     -10.830711      0.951046      1.485442
  O     -10.767015     -0.276068      1.461813
  C      -9.925826      1.739840      2.379570
  C      -9.863221      3.144998      2.336312
  C      -9.018049      3.844628      3.187803
  C      -8.220250      3.129591      4.073456
  F      -7.470263      3.831035      4.951782
  C      -8.224524      1.727627      4.131591
  C      -7.463903      0.941639      5.142490
  O      -7.971624     -0.026425      5.699344
  N      -6.158480      1.361055      5.472155
  C      -5.802230      1.219657      6.754673
  C      -9.115557      1.053837      3.289010
  H      -8.537942      1.561774     -0.300183
  H      -7.278215      2.644138     -0.979864
  H      -7.347381      0.910953     -1.434375
  H      -8.413832     -0.803576      0.144798
  H      -8.571699     -2.850121      1.537258
  H      -2.222640     -1.617423      4.653467
  H      -5.096076      0.505478      2.532201
  H      -6.919107     12.073171      0.136440
  H      -5.751147     11.513007     -1.070383
  H      -7.496720     11.550585     -1.478508
  H      -4.882171     11.271397      1.139019
  H      -3.438896     10.334657      2.939759
  H      -5.287186      3.750346      3.102799
  H      -6.986731      7.513130      0.934111
  H     -12.406576      0.979482      0.041966
  H     -11.284744      2.372370     -0.078533
  H     -12.477251      2.326401      1.225926
  H     -10.484600      3.704763      1.637521
  H      -8.956879      4.931058      3.174784
  H      -6.520518      1.031138      7.563577
  H      -9.183331     -0.032397      3.345744
  N      -3.369668      2.057381      2.756125
  H      -2.758167      1.312171      2.408422
  H      -2.852825      2.935273      2.645030
  H      -4.167797      2.110322      2.091307
90
Coordinates from ORCA-job orca E -6670.503230149303
  N      -2.186307      0.524614      4.915739
  Mo     -3.905557      1.706769      4.969669
  N      -4.512768      1.395672      6.909039
  C      -3.788597      1.796162      8.095435
  C      -2.347845      1.987223      7.639594
  N      -2.256552      2.655448      6.290261
  C      -0.920447      2.348503      5.686301
  C      -0.847353      0.863947      5.336917
  C      -2.459283      4.138421      6.378909
  C      -3.910773      4.484687      6.114276
  N      -4.321375      3.720441      4.936356
  H      -0.112393      0.709643      4.530769
  H      -0.528766      0.245498      6.191272
  H      -0.846053      2.952062      4.772462
  H      -0.111494      2.653658      6.369169
  H      -4.560486      4.227379      6.964029
  H      -4.020410      5.560205      5.915104
  H      -2.111868      4.506875      7.355480
  H      -1.842341      4.599747      5.596583
  H      -3.820506      1.027837      8.884745
  H      -4.210310      2.722673      8.517371
  H      -1.883147      0.999643      7.545296
  H      -1.761723      2.570291      8.365433
  C      -7.472889      1.533279     -0.645252
  C      -6.557669      1.229319      0.506580
  O      -5.668168      2.029385      0.823301
  C      -6.727344     -0.045393      1.260337
  C      -7.708208     -1.015040      0.988033
  C      -7.806547     -2.153934      1.785428
  C      -6.917105     -2.343672      2.840317
  F      -7.052543     -3.441729      3.592636
  C      -5.902082     -1.408703      3.129606
  C      -4.815617     -1.637779      4.117952
  O      -4.518464     -2.736647      4.567168
  N      -4.041001     -0.489598      4.412833
  C      -2.740108     -0.648412      4.677843
  C      -5.854862     -0.275741      2.323582
  C      -6.855300     11.420483     -0.579086
  C      -7.017776      9.995741     -0.103023
  O      -7.907967      9.276200     -0.544840
  C      -6.068446      9.480251      0.936641
  C      -5.028928     10.261183      1.470792
  C      -4.171849      9.727458      2.426748
  C      -4.354546      8.415031      2.856055
  F      -3.469060      7.951760      3.766222
  C      -5.389552      7.600046      2.362623
  C      -5.683841      6.183344      2.761650
  O      -6.559572      5.547485      2.163929
  N      -4.961191      5.685720      3.840789
  C      -4.876622      4.382763      3.903941
  C      -6.224158      8.169107      1.391907
  C     -11.799773      1.738414      0.582253
  C     -10.816278      0.986042      1.445771
  O     -10.759654     -0.241638      1.421786
  C      -9.908816      1.769086      2.341765
  C      -9.839771      3.174084      2.299578
  C      -8.993698      3.869176      3.153739
  C      -8.202467      3.149920      4.041679
  F      -7.451970      3.847346      4.923225
  C      -8.213933      1.748100      4.099564
  C      -7.464015      0.959955      5.116752
  O      -7.983753      0.001836      5.679342
  N      -6.159285      1.374397      5.454496
  C      -5.813485      1.238983      6.740738
  C      -9.104484      1.078650      3.253152
  H      -8.526940      1.480875     -0.339341
  H      -7.251550      2.532425     -1.034370
  H      -7.331818      0.789175     -1.445036
  H      -8.419900     -0.884402      0.174376
  H      -8.580201     -2.900447      1.606876
  H      -2.224354     -1.618696      4.685174
  H      -5.090351      0.459858      2.528759
  H      -6.951073     12.127153      0.259392
  H      -5.857581     11.573811     -1.018184
  H      -7.622105     11.638329     -1.329729
  H      -4.879139     11.289802      1.142291
  H      -3.352493     10.309950      2.848793
  H      -5.261083      3.759771      3.082614
  H      -7.026642      7.552621      0.984250
  H     -12.405329      1.022490      0.017192
  H     -11.272134      2.404412     -0.118285
  H     -12.454252      2.375201      1.196260
  H     -10.456264      3.737238      1.599219
  H      -8.928385      4.955403      3.141542
  H      -6.539000      1.056834      7.544650
  H      -9.177914     -0.007332      3.308913
  N      -3.383799      2.034034      2.748047
  H      -2.771748      1.285190      2.409100
  H      -2.868867      2.910965      2.621032
  H      -4.184776      2.074771      2.085575
90
Coordinates from ORCA-job orca E -6670.503456800292
  N      -2.179682      0.516766      4.932790
  Mo     -3.897313      1.703084      4.964173
  N      -4.528769      1.412377      6.900832
  C      -3.815081      1.811585      8.093360
  C      -2.368337      1.990951      7.651850
  N      -2.258282      2.652522      6.301348
  C      -0.916065      2.338349      5.714704
  C      -0.844392      0.852882      5.369466
  C      -2.455382      4.137033      6.379896
  C      -3.901289      4.488941      6.092455
  N      -4.298449      3.720509      4.912379
  H      -0.099996      0.694145      4.572912
  H      -0.539010      0.235246      6.229251
  H      -0.827898      2.939837      4.800761
  H      -0.114579      2.641938      6.407009
  H      -4.564153      4.237504      6.933700
  H      -4.003755      5.563944      5.886951
  H      -2.120004      4.509158      7.359290
  H      -1.825506      4.591531      5.604009
  H      -3.859480      1.045360      8.884160
  H      -4.235085      2.741742      8.508862
  H      -1.909640      0.999583      7.566472
  H      -1.786152      2.572731      8.381913
  C      -7.459424      1.413935     -0.664554
  C      -6.545013      1.132058      0.493335
  O      -5.647779      1.932296      0.787167
  C      -6.720542     -0.122496      1.277136
  C      -7.714059     -1.087188      1.037193
  C      -7.820368     -2.202895      1.866157
  C      -6.925978     -2.376175      2.919283
  F      -7.070039     -3.450796      3.702962
  C      -5.896569     -1.446893      3.174781
  C      -4.807727     -1.658797      4.163649
  O      -4.520193     -2.746245      4.645841
  N      -4.033683     -0.504526      4.436885
  C      -2.734603     -0.659254      4.711100
  C      -5.842506     -0.336029      2.339584
  C      -7.003138     11.485637     -0.426744
  C      -7.148187     10.053029      0.031291
  O      -8.083303      9.356042     -0.349447
  C      -6.126010      9.502556      0.980018
  C      -5.039455     10.260842      1.449466
  C      -4.118014      9.698499      2.326050
  C      -4.285112      8.380043      2.742241
  F      -3.337336      7.882815      3.568066
  C      -5.363508      7.586693      2.311564
  C      -5.641209      6.166343      2.707396
  O      -6.508902      5.521724      2.107201
  N      -4.925411      5.682206      3.799300
  C      -4.840161      4.379041      3.871042
  C      -6.261310      8.182521      1.416268
  C     -11.758367      1.832653      0.515138
  C     -10.782331      1.067370      1.375547
  O     -10.733249     -0.160592      1.341281
  C      -9.877224      1.836456      2.285302
  C      -9.799701      3.241569      2.255612
  C      -8.953601      3.924113      3.120019
  C      -8.173562      3.192594      4.007584
  F      -7.425274      3.877517      4.900838
  C      -8.195524      1.790929      4.054948
  C      -7.461144      0.992813      5.075486
  O      -7.996056      0.040715      5.634007
  N      -6.156610      1.395850      5.426239
  C      -5.827273      1.260376      6.716855
  C      -9.083564      1.133480      3.196652
  H      -8.511541      1.416856     -0.345684
  H      -7.207783      2.386901     -1.098641
  H      -7.356842      0.630627     -1.431914
  H      -8.432121     -0.970760      0.226680
  H      -8.604564     -2.943787      1.711979
  H      -2.222051     -1.631008      4.736439
  H      -5.066345      0.393356      2.522622
  H      -7.016238     12.173845      0.432099
  H      -6.043441     11.634611     -0.944787
  H      -7.826478     11.731891     -1.105180
  H      -4.903406     11.294904      1.132267
  H      -3.260688     10.262747      2.694046
  H      -5.219127      3.754767      3.048987
  H      -7.097692      7.581171      1.056597
  H     -12.372332      1.124776     -0.050977
  H     -11.221010      2.491167     -0.185408
  H     -12.404259      2.478287      1.128741
  H     -10.408021      3.814543      1.555983
  H      -8.882407      5.010158      3.116950
  H      -6.564673      1.087977      7.512116
  H      -9.163915      0.047419      3.242287
  N      -3.375642      1.994436      2.741631
  H      -2.764462      1.238103      2.417833
  H      -2.856604      2.866750      2.599453
  H      -4.173886      2.024793      2.075466
90
Coordinates from ORCA-job orca E -6670.503640634764
  N      -2.182293      0.517569      4.935038
  Mo     -3.897186      1.707728      4.957424
  N      -4.537968      1.432726      6.893728
  C      -3.826691      1.830785      8.087831
  C      -2.377443      1.999437      7.650366
  N      -2.260315      2.656906      6.298680
  C      -0.916579      2.338464      5.717733
  C      -0.847023      0.852239      5.374893
  C      -2.453797      4.142516      6.372559
  C      -3.896375      4.498268      6.072158
  N      -4.286017      3.727517      4.891206
  H      -0.101082      0.690991      4.580323
  H      -0.545169      0.235204      6.236343
  H      -0.823564      2.938290      4.803141
  H      -0.117275      2.641582      6.412732
  H      -4.566416      4.250999      6.908946
  H      -3.993788      5.572980      5.862773
  H      -2.125701      4.515674      7.354015
  H      -1.815987      4.593353      5.601141
  H      -3.879112      1.067239      8.880737
  H      -4.242257      2.764971      8.498966
  H      -1.924813      1.004958      7.568216
  H      -1.793464      2.579520      8.380345
  C      -7.447307      1.304269     -0.693223
  C      -6.538284      1.052036      0.475748
  O      -5.641421      1.857923      0.754296
  C      -6.721991     -0.181366      1.290085
  C      -7.725557     -1.141397      1.075502
  C      -7.839929     -2.236535      1.930342
  C      -6.943690     -2.394434      2.984225
  F      -7.094729     -3.449614      3.792343
  C      -5.905191     -1.469095      3.215601
  C      -4.816876     -1.665853      4.208047
  O      -4.530263     -2.745108      4.708868
  N      -4.039303     -0.508464      4.457105
  C      -2.740331     -0.660879      4.731517
  C      -5.843092     -0.378118      2.354925
  C      -7.065889     11.552881     -0.310972
  C      -7.204890     10.114921      0.131859
  O      -8.158327      9.430063     -0.224599
  C      -6.147814      9.539701      1.026077
  C      -5.038731     10.282640      1.466269
  C      -4.085448      9.698330      2.293247
  C      -4.244157      8.372943      2.689585
  F      -3.266851      7.851381      3.464641
  C      -5.343230      7.594033      2.286513
  C      -5.608582      6.167472      2.665900
  O      -6.458993      5.516684      2.048064
  N      -4.905333      5.687160      3.768897
  C      -4.819764      4.383884      3.844308
  C      -6.272777      8.211153      1.439463
  C     -11.739820      1.853523      0.476480
  C     -10.772620      1.087228      1.345703
  O     -10.726620     -0.141085      1.313595
  C      -9.862780      1.855204      2.251365
  C      -9.773004      3.259296      2.211359
  C      -8.921264      3.940645      3.071402
  C      -8.148887      3.208892      3.965377
  F      -7.393612      3.893232      4.853141
  C      -8.184406      1.808080      4.023919
  C      -7.460698      1.012017      5.053614
  O      -8.009767      0.075821      5.625252
  N      -6.155664      1.410091      5.408907
  C      -5.835821      1.284693      6.703301
  C      -9.076648      1.151981      3.169192
  H      -8.499226      1.332079     -0.374670
  H      -7.183386      2.258654     -1.159964
  H      -7.356230      0.492875     -1.432194
  H      -8.445667     -1.036819      0.265043
  H      -8.631710     -2.973168      1.795180
  H      -2.229792     -1.633277      4.770293
  H      -5.057521      0.345935      2.518682
  H      -7.040225     12.228271      0.557765
  H      -6.125839     11.702375     -0.863746
  H      -7.912933     11.815455     -0.953063
  H      -4.909275     11.321885      1.163596
  H      -3.209662     10.250174      2.635712
  H      -5.193730      3.759038      3.020499
  H      -7.124774      7.620514      1.099729
  H     -12.357667      1.146195     -0.086020
  H     -11.194202      2.501278     -0.227898
  H     -12.381987      2.510172      1.082157
  H     -10.375385      3.832458      1.506765
  H      -8.840621      5.026008      3.059951
  H      -6.579338      1.119535      7.494362
  H      -9.167725      0.067200      3.223246
  N      -3.384888      1.970448      2.730585
  H      -2.773464      1.210096      2.416458
  H      -2.866489      2.840599      2.573239
  H      -4.184428      1.988955      2.065629
90
Coordinates from ORCA-job orca E -6670.503831069894
  N      -2.180160      0.517939      4.930974
  Mo     -3.895887      1.707144      4.945110
  N      -4.541397      1.451144      6.882691
  C      -3.829098      1.849226      8.076249
  C      -2.379230      2.009490      7.639016
  N      -2.261831      2.663558      6.285752
  C      -0.916891      2.344169      5.707327
  C      -0.845257      0.856216      5.371695
  C      -2.457243      4.150097      6.353194
  C      -3.898467      4.504761      6.041055
  N      -4.279883      3.727162      4.861957
  H      -0.098428      0.692564      4.578480
  H      -0.544314      0.242535      6.235720
  H      -0.823052      2.939495      4.789888
  H      -0.119196      2.651252      6.402385
  H      -4.573793      4.263006      6.875234
  H      -3.994334      5.578284      5.825104
  H      -2.136365      4.526908      7.335568
  H      -1.814264      4.597965      5.584481
  H      -3.887883      1.088961      8.871952
  H      -4.240235      2.787178      8.483312
  H      -1.930914      1.013119      7.557621
  H      -1.791907      2.589253      8.366600
  C      -7.460761      1.180219     -0.705465
  C      -6.545745      0.967933      0.466990
  O      -5.646469      1.778957      0.720236
  C      -6.732874     -0.240032      1.316992
  C      -7.751571     -1.190342      1.136118
  C      -7.871271     -2.264342      2.016278
  C      -6.964654     -2.409674      3.063033
  F      -7.117801     -3.445123      3.895679
  C      -5.913561     -1.491797      3.262885
  C      -4.817473     -1.677512      4.248406
  O      -4.530908     -2.748848      4.765889
  N      -4.037819     -0.517188      4.472593
  C      -2.738814     -0.664454      4.748422
  C      -5.845935     -0.420515      2.377161
  C      -7.107586     11.621701     -0.193078
  C      -7.249450     10.179562      0.234897
  O      -8.216573      9.507911     -0.109380
  C      -6.171130      9.576661      1.084332
  C      -5.044551     10.300876      1.510309
  C      -4.071414      9.690792      2.294784
  C      -4.228852      8.357074      2.661399
  F      -3.236713      7.806254      3.396579
  C      -5.342933      7.595061      2.268402
  C      -5.592189      6.158197      2.615878
  O      -6.415601      5.501935      1.968856
  N      -4.902356      5.678737      3.729111
  C      -4.811000      4.375822      3.808661
  C      -6.293339      8.237956      1.465660
  C     -11.687271      1.866542      0.406656
  C     -10.738769      1.106706      1.301457
  O     -10.689302     -0.121539      1.276561
  C      -9.839353      1.881373      2.212263
  C      -9.739731      3.284266      2.157863
  C      -8.891031      3.969187      3.018737
  C      -8.132428      3.242262      3.928644
  F      -7.381512      3.931422      4.815503
  C      -8.178386      1.842574      4.001929
  C      -7.467365      1.050669      5.043892
  O      -8.028130      0.123078      5.619025
  N      -6.157427      1.434043      5.397084
  C      -5.839681      1.310231      6.692205
  C      -9.067717      1.183524      3.146490
  H      -8.504614      1.259043     -0.367220
  H      -7.177216      2.098633     -1.229009
  H      -7.414813      0.323408     -1.395040
  H      -8.479337     -1.092493      0.331344
  H      -8.674951     -2.992538      1.908051
  H      -2.227714     -1.635654      4.804946
  H      -5.045476      0.293867      2.513180
  H      -7.052204     12.285136      0.683629
  H      -6.181281     11.769931     -0.769114
  H      -7.968930     11.900836     -0.808510
  H      -4.915883     11.345700      1.227049
  H      -3.181718     10.228331      2.623794
  H      -5.175547      3.745991      2.983949
  H      -7.156871      7.662248      1.131301
  H     -12.298447      1.155105     -0.157997
  H     -11.126844      2.503092     -0.296416
  H     -12.336526      2.533824      0.992837
  H     -10.331313      3.853663      1.441073
  H      -8.803142      5.053967      2.996118
  H      -6.585546      1.154665      7.483028
  H      -9.166371      0.100217      3.211502
  N      -3.385029      1.945399      2.714439
  H      -2.770877      1.182631      2.410985
  H      -2.867456      2.814096      2.546369
  H      -4.181261      1.952405      2.046280
90
Coordinates from ORCA-job orca E -6670.503995793031
  N      -2.186918      0.530626      4.918977
  Mo     -3.905749      1.715990      4.941662
  N      -4.547145      1.461880      6.880729
  C      -3.829525      1.855743      8.072810
  C      -2.380613      2.013613      7.630710
  N      -2.267284      2.672281      6.279559
  C      -0.924557      2.357060      5.694948
  C      -0.851483      0.870586      5.355807
  C      -2.464696      4.157427      6.354094
  C      -3.905708      4.510442      6.042526
  N      -4.283603      3.736674      4.860074
  H      -0.107225      0.710484      4.559426
  H      -0.546186      0.255311      6.217018
  H      -0.835543      2.954545      4.778504
  H      -0.124244      2.663611      6.387344
  H      -4.581551      4.263258      6.874691
  H      -4.003486      5.584519      5.830841
  H      -2.145875      4.529615      7.338830
  H      -1.821856      4.610789      5.588407
  H      -3.887139      1.093877      8.866971
  H      -4.237054      2.793755      8.483421
  H      -1.935380      1.016467      7.544177
  H      -1.789000      2.589217      8.358213
  C      -7.448213      1.123537     -0.725814
  C      -6.551467      0.928846      0.463925
  O      -5.674903      1.759528      0.733009
  C      -6.735992     -0.276190      1.320739
  C      -7.746788     -1.236510      1.142335
  C      -7.863965     -2.303223      2.032305
  C      -6.962452     -2.431667      3.085956
  F      -7.113145     -3.460202      3.928354
  C      -5.918502     -1.505036      3.281981
  C      -4.824497     -1.675669      4.272383
  O      -4.532994     -2.741043      4.799450
  N      -4.045318     -0.511730      4.479616
  C      -2.745146     -0.653894      4.750980
  C      -5.852588     -0.442182      2.385948
  C      -7.107518     11.663589     -0.132464
  C      -7.253904     10.221390      0.293518
  O      -8.242404      9.564845     -0.018094
  C      -6.160087      9.604035      1.112175
  C      -5.014181     10.314143      1.509555
  C      -4.025701      9.689587      2.262920
  C      -4.188089      8.356325      2.629080
  F      -3.178150      7.788881      3.326868
  C      -5.321742      7.608988      2.265191
  C      -5.576886      6.172935      2.611754
  O      -6.394259      5.518127      1.956086
  N      -4.895759      5.691338      3.728391
  C      -4.810249      4.388553      3.806646
  C      -6.285955      8.265074      1.490864
  C     -11.685214      1.844892      0.393418
  C     -10.736369      1.091212      1.293101
  O     -10.690727     -0.137381      1.280958
  C      -9.836257      1.873089      2.197055
  C      -9.733168      3.274889      2.127641
  C      -8.892946      3.967836      2.989733
  C      -8.142556      3.249442      3.913242
  F      -7.402451      3.948078      4.802131
  C      -8.186905      1.849826      3.997915
  C      -7.482316      1.066443      5.051308
  O      -8.044317      0.140291      5.627233
  N      -6.169935      1.444600      5.400161
  C      -5.846869      1.324851      6.694618
  C      -9.071299      1.183556      3.142898
  H      -8.500392      1.177315     -0.410670
  H      -7.174273      2.047970     -1.244314
  H      -7.366992      0.268781     -1.414527
  H      -8.470751     -1.150418      0.333564
  H      -8.660696     -3.039457      1.926146
  H      -2.230605     -1.622810      4.815322
  H      -5.058099      0.278957      2.518282
  H      -7.018721     12.323546      0.744156
  H      -6.196911     11.802919     -0.735246
  H      -7.983380     11.954990     -0.721369
  H      -4.882276     11.358879      1.227497
  H      -3.120283     10.215313      2.567000
  H      -5.173977      3.760071      2.980052
  H      -7.164640      7.700354      1.176622
  H     -12.301259      1.129682     -0.161173
  H     -11.125694      2.471963     -0.318668
  H     -12.329629      2.520709      0.975044
  H     -10.318902      3.837442      1.400851
  H      -8.805376      5.052354      2.958459
  H      -6.589835      1.172393      7.488724
  H      -9.173048      0.101355      3.219714
  N      -3.417879      1.945345      2.705211
  H      -2.801195      1.184538      2.401892
  H      -2.907859      2.816385      2.526749
  H      -4.220170      1.942743      2.043742
90
Coordinates from ORCA-job orca E -6670.504114594167
  N      -2.189368      0.536752      4.913499
  Mo     -3.907871      1.722220      4.932909
  N      -4.551613      1.477956      6.871442
  C      -3.833843      1.873473      8.063050
  C      -2.384524      2.025301      7.620688
  N      -2.270958      2.681871      6.268495
  C      -0.928418      2.367468      5.683382
  C      -0.853237      0.880392      5.346304
  C      -2.469975      4.167061      6.341604
  C      -3.909553      4.518911      6.021392
  N      -4.280556      3.742607      4.838615
  H      -0.111235      0.720910      4.547715
  H      -0.543954      0.266861      6.207330
  H      -0.841467      2.963397      4.765719
  H      -0.127906      2.676575      6.374397
  H      -4.589692      4.273528      6.850550
  H      -4.006409      5.592510      5.806747
  H      -2.157630      4.539304      7.328363
  H      -1.822709      4.620813      5.579955
  H      -3.895314      1.114758      8.859820
  H      -4.238604      2.814499      8.469679
  H      -1.942758      1.026496      7.534877
  H      -1.790275      2.600208      8.346552
  C      -7.462813      1.027722     -0.739410
  C      -6.567214      0.862951      0.455865
  O      -5.695597      1.702689      0.711275
  C      -6.746913     -0.327836      1.333849
  C      -7.758551     -1.290727      1.174589
  C      -7.875602     -2.340160      2.084307
  C      -6.971666     -2.449475      3.138066
  F      -7.122047     -3.461301      4.000509
  C      -5.926353     -1.521061      3.314930
  C      -4.830718     -1.676198      4.306301
  O      -4.536644     -2.734146      4.846743
  N      -4.049473     -0.510370      4.492720
  C      -2.749003     -0.649719      4.762465
  C      -5.860556     -0.474563      2.399333
  C      -7.111562     11.719295     -0.055995
  C      -7.259948     10.272601      0.353300
  O      -8.256661      9.625610      0.047666
  C      -6.158042      9.639006      1.148294
  C      -5.006332     10.340018      1.544567
  C      -4.011010      9.701372      2.277116
  C      -4.172790      8.362865      2.623368
  F      -3.157635      7.780740      3.301591
  C      -5.311031      7.623683      2.258278
  C      -5.560604      6.182117      2.583914
  O      -6.366696      5.529821      1.912154
  N      -4.888380      5.695662      3.703952
  C      -4.801924      4.393035      3.781148
  C      -6.282245      8.293561      1.505109
  C     -11.671074      1.845923      0.365853
  C     -10.726278      1.092927      1.270125
  O     -10.690351     -0.136057      1.269023
  C      -9.823644      1.875533      2.170965
  C      -9.711841      3.275994      2.091853
  C      -8.870237      3.969872      2.951902
  C      -8.127909      3.253480      3.883334
  F      -7.386965      3.953454      4.770475
  C      -8.180805      1.855063      3.977727
  C      -7.482832      1.075435      5.038109
  O      -8.050141      0.155209      5.618307
  N      -6.170474      1.452140      5.388350
  C      -5.851103      1.339849      6.684319
  C      -9.065958      1.187894      3.124220
  H      -8.516280      1.072358     -0.426688
  H      -7.198882      1.946052     -1.273498
  H      -7.370116      0.161574     -1.412405
  H      -8.483814     -1.217458      0.365789
  H      -8.673647     -3.077130      1.994615
  H      -2.233086     -1.617032      4.838900
  H      -5.064728      0.248303      2.515011
  H      -7.007803     12.367209      0.827862
  H      -6.208169     11.861774     -0.668645
  H      -7.993619     12.022766     -0.629317
  H      -4.875716     11.389100      1.278423
  H      -3.101380     10.220431      2.580106
  H      -5.160679      3.763546      2.953437
  H      -7.165720      7.737015      1.190108
  H     -12.290104      1.130694     -0.185375
  H     -11.109270      2.467766     -0.348908
  H     -12.312994      2.526940      0.944355
  H     -10.291517      3.836779      1.358852
  H      -8.775682      5.053585      2.913298
  H      -6.595550      1.190239      7.477556
  H      -9.174753      0.106932      3.208983
  N      -3.427239      1.933862      2.691711
  H      -2.808117      1.172919      2.393726
  H      -2.921394      2.805367      2.503881
  H      -4.231095      1.921716      2.032442
90
Coordinates from ORCA-job orca E -6670.504171686823
  N      -2.188488      0.545170      4.904650
  Mo     -3.910221      1.725830      4.922028
  N      -4.555383      1.488725      6.858174
  C      -3.838074      1.888082      8.049395
  C      -2.388957      2.036348      7.606404
  N      -2.278204      2.693002      6.253501
  C      -0.935561      2.385034      5.665971
  C      -0.852371      0.897772      5.330577
  C      -2.484097      4.177510      6.327725
  C      -3.922597      4.524430      5.996019
  N      -4.283528      3.743888      4.813336
  H      -0.114235      0.742471      4.527640
  H      -0.534023      0.287032      6.190265
  H      -0.854865      2.979688      4.746881
  H      -0.134989      2.700063      6.354230
  H      -4.607692      4.281212      6.821673
  H      -4.020186      5.597091      5.776765
  H      -2.182332      4.548144      7.318304
  H      -1.831602      4.635644      5.573261
  H      -3.903525      1.133622      8.849650
  H      -4.241372      2.832335      8.450270
  H      -1.949293      1.036639      7.519268
  H      -1.791982      2.610693      8.330383
  C      -7.444952      0.927458     -0.765475
  C      -6.558605      0.794579      0.440770
  O      -5.698621      1.646452      0.692060
  C      -6.743148     -0.377700      1.344348
  C      -7.761337     -1.337219      1.205898
  C      -7.888495     -2.363176      2.139825
  C      -6.984409     -2.453821      3.195792
  F      -7.143975     -3.442412      4.083681
  C      -5.931136     -1.531480      3.350319
  C      -4.833607     -1.674856      4.341770
  O      -4.541693     -2.724766      4.898855
  N      -4.048246     -0.509016      4.504523
  C      -2.747466     -0.644011      4.773946
  C      -5.856728     -0.505530      2.411570
  C      -7.104292     11.770440      0.015528
  C      -7.265904     10.322717      0.415337
  O      -8.273909      9.690016      0.115973
  C      -6.157879      9.667746      1.183834
  C      -4.998027     10.355185      1.579359
  C      -3.999482      9.699544      2.293016
  C      -4.166785      8.357117      2.619729
  F      -3.153318      7.756463      3.284853
  C      -5.310835      7.630343      2.250493
  C      -5.558453      6.184932      2.556574
  O      -6.360035      5.539044      1.873960
  N      -4.890904      5.693296      3.676200
  C      -4.800376      4.391666      3.751522
  C      -6.285742      8.316027      1.517833
  C     -11.665598      1.861384      0.346402
  C     -10.739292      1.103214      1.265053
  O     -10.715643     -0.125920      1.270140
  C      -9.823214      1.881446      2.156500
  C      -9.695746      3.279550      2.066559
  C      -8.848921      3.970943      2.923658
  C      -8.116621      3.253237      3.861751
  F      -7.374850      3.950780      4.750023
  C      -8.180890      1.855880      3.963551
  C      -7.485757      1.076522      5.025885
  O      -8.054253      0.157460      5.606825
  N      -6.174098      1.454834      5.376797
  C      -5.854608      1.343232      6.672743
  C      -9.071935      1.191757      3.113756
  H      -8.500213      0.970707     -0.457403
  H      -7.183740      1.833895     -1.320473
  H      -7.344865      0.044877     -1.415635
  H      -8.483766     -1.274722      0.393712
  H      -8.693081     -3.095094      2.070337
  H      -2.228246     -1.608020      4.867805
  H      -5.054542      0.214137      2.504982
  H      -6.978097     12.408742      0.903314
  H      -6.208033     11.905908     -0.608808
  H      -7.990864     12.090657     -0.541448
  H      -4.864864     11.407848      1.329229
  H      -3.085190     10.209444      2.597506
  H      -5.151364      3.759043      2.923539
  H      -7.177999      7.773620      1.202417
  H     -12.286155      1.150340     -0.208514
  H     -11.092209      2.477121     -0.364234
  H     -12.307490      2.549195      0.917151
  H     -10.269153      3.840854      1.328990
  H      -8.743083      5.053382      2.879056
  H      -6.597570      1.191668      7.466906
  H      -9.192949      0.112805      3.208139
  N      -3.430060      1.927010      2.674564
  H      -2.806515      1.168276      2.380393
  H      -2.929936      2.800875      2.482746
  H      -4.233500      1.906733      2.015499
90
Coordinates from ORCA-job orca E -6670.504304926336
  N      -2.190604      0.552248      4.895005
  Mo     -3.914299      1.731398      4.916275
  N      -4.560055      1.497687      6.853248
  C      -3.840191      1.891420      8.044573
  C      -2.391003      2.036110      7.600041
  N      -2.280403      2.697090      6.249901
  C      -0.938306      2.391287      5.660773
  C      -0.854695      0.905168      5.321485
  C      -2.486609      4.181236      6.328520
  C      -3.924062      4.528442      5.993535
  N      -4.280734      3.751106      4.806835
  H      -0.116351      0.752805      4.518136
  H      -0.535941      0.292285      6.179522
  H      -0.858447      2.988701      4.743434
  H      -0.137252      2.704511      6.349344
  H      -4.611840      4.280753      6.815561
  H      -4.022360      5.601693      5.778024
  H      -2.187842      4.548994      7.321059
  H      -1.832438      4.642530      5.577458
  H      -3.906048      1.134473      8.842543
  H      -4.240089      2.835450      8.449188
  H      -1.955044      1.035041      7.508962
  H      -1.791309      2.605578      8.325710
  C      -7.452689      0.839848     -0.777441
  C      -6.579092      0.734291      0.440459
  O      -5.720283      1.591588      0.678410
  C      -6.759595     -0.425309      1.360447
  C      -7.777713     -1.387134      1.240585
  C      -7.898890     -2.400166      2.189740
  C      -6.990242     -2.475415      3.242735
  F      -7.145132     -3.451159      4.145473
  C      -5.936491     -1.550393      3.378638
  C      -4.834652     -1.678337      4.366834
  O      -4.541470     -2.718939      4.940614
  N      -4.051398     -0.508339      4.511931
  C      -2.749625     -0.638491      4.776956
  C      -5.867690     -0.537956      2.425367
  C      -7.133017     11.806422      0.087841
  C      -7.288345     10.355745      0.480047
  O      -8.307105      9.729271      0.205646
  C      -6.162463      9.691318      1.213764
  C      -4.990456     10.372384      1.584336
  C      -3.974736      9.707923      2.264705
  C      -4.137534      8.363319      2.584419
  F      -3.107123      7.752347      3.213300
  C      -5.293965      7.643313      2.241566
  C      -5.538150      6.196289      2.544595
  O      -6.332634      5.548306      1.855518
  N      -4.878129      5.705159      3.669413
  C      -4.791939      4.402847      3.744543
  C      -6.285608      8.337389      1.539977
  C     -11.637425      1.875127      0.308299
  C     -10.704303      1.119242      1.221986
  O     -10.675342     -0.109942      1.224747
  C      -9.800832      1.899299      2.124406
  C      -9.676579      3.298146      2.037958
  C      -8.837225      3.990101      2.901846
  C      -8.110421      3.272772      3.844566
  F      -7.374805      3.971565      4.737577
  C      -8.174278      1.875357      3.945607
  C      -7.488063      1.096513      5.014166
  O      -8.063253      0.181997      5.595432
  N      -6.176612      1.469834      5.369553
  C      -5.859472      1.357224      6.665932
  C      -9.056957      1.210492      3.087746
  H      -8.512781      0.874141     -0.486355
  H      -7.194885      1.741752     -1.341380
  H      -7.331461     -0.049506     -1.414924
  H      -8.504332     -1.338061      0.430957
  H      -8.701976     -3.134840      2.132998
  H      -2.228373     -1.600769      4.877560
  H      -5.065165      0.182826      2.505373
  H      -6.980684     12.437098      0.977035
  H      -6.253533     11.944252     -0.559509
  H      -8.033203     12.134063     -0.442320
  H      -4.860516     11.426602      1.339308
  H      -3.050178     10.212203      2.546780
  H      -5.140643      3.773163      2.913397
  H      -7.186356      7.799037      1.242352
  H     -12.254692      1.162215     -0.247905
  H     -11.068351      2.495819     -0.401502
  H     -12.282064      2.557713      0.882133
  H     -10.243998      3.859028      1.295543
  H      -8.733051      5.072735      2.858379
  H      -6.604093      1.208122      7.459049
  H      -9.175207      0.130999      3.178789
  N      -3.458382      1.917369      2.665257
  H      -2.833664      1.158922      2.372825
  H      -2.964008      2.791665      2.460766
  H      -4.267592      1.886681      2.013889
90
Coordinates from ORCA-job orca E -6670.504410138164
  N      -2.191530      0.560629      4.879670
  Mo     -3.917095      1.737431      4.908762
  N      -4.560027      1.502989      6.845817
  C      -3.836348      1.892295      8.036309
  C      -2.388031      2.034999      7.587868
  N      -2.281228      2.701307      6.240250
  C      -0.940552      2.400580      5.645948
  C      -0.854655      0.915977      5.300855
  C      -2.489700      4.184752      6.326141
  C      -3.926625      4.531414      5.989113
  N      -4.279924      3.757839      4.798735
  H      -0.119865      0.768819      4.493287
  H      -0.529854      0.301135      6.155194
  H      -0.865286      3.001732      4.730650
  H      -0.137822      2.713163      6.332866
  H      -4.615989      4.279533      6.808517
  H      -4.025710      5.605295      5.777279
  H      -2.194418      4.547475      7.321526
  H      -1.833951      4.651403      5.579775
  H      -3.901653      1.133870      8.832881
  H      -4.232887      2.836568      8.443694
  H      -1.954998      1.033115      7.491417
  H      -1.784575      2.599985      8.313959
  C      -7.457117      0.747825     -0.795657
  C      -6.595025      0.673079      0.432440
  O      -5.748062      1.543992      0.663740
  C      -6.773228     -0.471067      1.371983
  C      -7.793288     -1.433007      1.272276
  C      -7.911832     -2.429879      2.238709
  C      -6.998962     -2.489017      3.289082
  F      -7.151689     -3.449505      4.208405
  C      -5.942947     -1.563769      3.405050
  C      -4.837497     -1.676912      4.390717
  O      -4.542330     -2.708940      4.978792
  N      -4.053781     -0.504737      4.516291
  C      -2.750361     -0.631316      4.773833
  C      -5.876649     -0.567580      2.434786
  C      -7.131866     11.837211      0.122522
  C      -7.284337     10.382918      0.502553
  O      -8.302456      9.757099      0.224424
  C      -6.158682      9.715845      1.234196
  C      -4.989268     10.397112      1.612779
  C      -3.973166      9.730004      2.289997
  C      -4.133358      8.382655      2.598858
  F      -3.103295      7.768827      3.225772
  C      -5.287322      7.662550      2.248480
  C      -5.528493      6.212831      2.542069
  O      -6.316735      5.566081      1.844609
  N      -4.872953      5.717304      3.667519
  C      -4.787148      4.414516      3.737455
  C      -6.279372      8.359194      1.550178
  C     -11.618604      1.887759      0.283059
  C     -10.687784      1.130796      1.198100
  O     -10.662928     -0.098614      1.203206
  C      -9.786706      1.909456      2.103975
  C      -9.661226      3.308278      2.018599
  C      -8.825991      3.999537      2.887022
  C      -8.104351      3.281274      3.832826
  F      -7.372647      3.979272      4.730048
  C      -8.169465      1.883741      3.933222
  C      -7.488537      1.104841      5.005233
  O      -8.067012      0.192609      5.586641
  N      -6.177005      1.476265      5.362827
  C      -5.859881      1.363434      6.659425
  C      -9.048407      1.219755      3.070869
  H      -8.521679      0.758695     -0.520208
  H      -7.212783      1.649960     -1.365301
  H      -7.304656     -0.143737     -1.423388
  H      -8.523135     -1.396310      0.464895
  H      -8.715446     -3.164988      2.197131
  H      -2.227480     -1.592231      4.879260
  H      -5.071939      0.152465      2.497239
  H      -6.983408     12.461081      1.017203
  H      -6.250882     11.982186     -0.521199
  H      -8.031507     12.166997     -0.407232
  H      -4.861358     11.453497      1.376265
  H      -3.050465     10.234472      2.577770
  H      -5.133944      3.788374      2.902916
  H      -7.178326      7.821365      1.246400
  H     -12.234831      1.175563     -0.275194
  H     -11.047800      2.509301     -0.424523
  H     -12.264583      2.569449      0.856488
  H     -10.224610      3.869794      1.273653
  H      -8.721192      5.082156      2.844702
  H      -6.603879      1.213069      7.452823
  H      -9.167790      0.140306      3.160495
  N      -3.484424      1.914441      2.652762
  H      -2.858407      1.157862      2.358360
  H      -2.997419      2.790482      2.438478
  H      -4.300421      1.874813      2.010650
90
Coordinates from ORCA-job orca E -6670.504528018670
  N      -2.185576      0.564095      4.857026
  Mo     -3.914183      1.737537      4.901069
  N      -4.553477      1.494249      6.837381
  C      -3.825078      1.874707      8.027735
  C      -2.377839      2.017297      7.574824
  N      -2.275592      2.694320      6.232393
  C      -0.936423      2.401901      5.631112
  C      -0.847746      0.920730      5.272984
  C      -2.486016      4.176664      6.332216
  C      -3.921936      4.525126      5.994405
  N      -4.273284      3.760056      4.797476
  H      -0.117123      0.783126      4.459964
  H      -0.515651      0.300544      6.120575
  H      -0.866292      3.011504      4.720961
  H      -0.131873      2.710985      6.317488
  H      -4.612994      4.266351      6.810259
  H      -4.020938      5.600477      5.790282
  H      -2.194480      4.529465      7.332207
  H      -1.827887      4.652051      5.593460
  H      -3.888718      1.112137      8.820438
  H      -4.217714      2.817994      8.441151
  H      -1.948098      1.014894      7.469173
  H      -1.770334      2.574607      8.303547
  C      -7.462106      0.642671     -0.814267
  C      -6.612869      0.602185      0.423704
  O      -5.776065      1.485988      0.644447
  C      -6.788174     -0.523522      1.385042
  C      -7.815985     -1.479198      1.313917
  C      -7.931605     -2.456339      2.300849
  C      -7.009491     -2.502017      3.343786
  F      -7.161434     -3.442870      4.283164
  C      -5.945357     -1.582433      3.431529
  C      -4.835193     -1.679138      4.413040
  O      -4.536361     -2.701773      5.015388
  N      -4.049885     -0.505148      4.515486
  C      -2.743982     -0.628496      4.761405
  C      -5.880839     -0.607488      2.440218
  C      -7.153622     11.830716      0.107183
  C      -7.289048     10.371926      0.477001
  O      -8.288417      9.729146      0.171193
  C      -6.171212      9.722344      1.235911
  C      -5.022151     10.421647      1.643182
  C      -4.012004      9.769825      2.343644
  C      -4.158159      8.419776      2.647392
  F      -3.133767      7.822023      3.298488
  C      -5.292530      7.682015      2.269710
  C      -5.523118      6.229078      2.559239
  O      -6.307109      5.579741      1.859024
  N      -4.865270      5.730351      3.681762
  C      -4.776765      4.426776      3.741356
  C      -6.278650      8.363963      1.548845
  C     -11.575112      1.963820      0.245021
  C     -10.656589      1.192805      1.160581
  O     -10.640318     -0.037002      1.154429
  C      -9.760566      1.956924      2.083316
  C      -9.636257      3.357072      2.020302
  C      -8.810568      4.036397      2.906998
  C      -8.095214      3.304403      3.846688
  F      -7.372219      3.989551      4.761131
  C      -8.158456      1.905001      3.925087
  C      -7.483498      1.112640      4.991300
  O      -8.064951      0.195515      5.561713
  N      -6.171364      1.477938      5.355027
  C      -5.853930      1.356428      6.651314
  C      -9.030404      1.253328      3.046325
  H      -8.531105      0.626765     -0.557760
  H      -7.232588      1.545271     -1.389708
  H      -7.272632     -0.249093     -1.431618
  H      -8.554976     -1.451760      0.514645
  H      -8.740350     -3.186745      2.280960
  H      -2.220757     -1.589109      4.868620
  H      -5.068611      0.105611      2.476748
  H      -7.042232     12.453188      1.008328
  H      -6.257359     11.994556     -0.510455
  H      -8.043925     12.146310     -0.446427
  H      -4.904793     11.480188      1.410940
  H      -3.104672     10.288637      2.653868
  H      -5.123367      3.808167      2.901197
  H      -7.162333      7.812814      1.224577
  H     -12.188066      1.260406     -0.327729
  H     -10.994131      2.591340     -0.448821
  H     -12.224882      2.640598      0.819943
  H     -10.194888      3.929488      1.280155
  H      -8.708197      5.119773      2.883092
  H      -6.597071      1.201070      7.444445
  H      -9.150044      0.172670      3.117844
  N      -3.516500      1.910008      2.639904
  H      -2.889529      1.156996      2.338544
  H      -3.040469      2.789135      2.414444
  H      -4.343496      1.859410      2.013138
90
Coordinates from ORCA-job orca E -6670.504632022804
  N      -2.181662      0.574352      4.839860
  Mo     -3.914844      1.742249      4.888652
  N      -4.555951      1.497789      6.824117
  C      -3.827426      1.874098      8.015765
  C      -2.380238      2.015461      7.563115
  N      -2.279366      2.699227      6.224336
  C      -0.939429      2.414540      5.621458
  C      -0.844902      0.935350      5.256462
  C      -2.494583      4.180560      6.331705
  C      -3.929171      4.527263      5.985880
  N      -4.271214      3.765753      4.783641
  H      -0.114524      0.805197      4.441986
  H      -0.509253      0.312411      6.100591
  H      -0.871859      3.028524      4.714052
  H      -0.135904      2.723644      6.309031
  H      -4.624968      4.263668      6.796123
  H      -4.029499      5.603142      5.785321
  H      -2.211310      4.527856      7.335958
  H      -1.832360      4.662426      5.600925
  H      -3.892724      1.109803      8.806656
  H      -4.218606      2.817224      8.430964
  H      -1.952730      1.012655      7.451858
  H      -1.771024      2.568008      8.294069
  C      -7.466543      0.547945     -0.824987
  C      -6.617469      0.534760      0.413538
  O      -5.784540      1.425694      0.619625
  C      -6.793760     -0.570339      1.398090
  C      -7.831906     -1.516188      1.354651
  C      -7.948709     -2.472455      2.361726
  C      -7.018149     -2.506801      3.397666
  F      -7.170988     -3.427649      4.356470
  C      -5.944556     -1.596256      3.458437
  C      -4.829163     -1.679872      4.434863
  O      -4.531219     -2.691596      5.055828
  N      -4.044771     -0.503625      4.516147
  C      -2.738180     -0.620734      4.759288
  C      -5.877999     -0.642482      2.446733
  C      -7.156535     11.868157      0.157575
  C      -7.288008     10.405310      0.512515
  O      -8.287989      9.764381      0.204929
  C      -6.166755      9.749710      1.261243
  C      -5.017859     10.446603      1.672820
  C      -4.004905      9.789533      2.364397
  C      -4.148441      8.436337      2.654811
  F      -3.121932      7.832902      3.297120
  C      -5.282230      7.700461      2.271607
  C      -5.508721      6.244263      2.547410
  O      -6.284410      5.597347      1.835747
  N      -4.858058      5.740377      3.672219
  C      -4.768757      4.436488      3.727155
  C      -6.271204      8.387827      1.560030
  C     -11.564609      1.971869      0.218910
  C     -10.654935      1.200695      1.142887
  O     -10.644506     -0.029260      1.142039
  C      -9.755201      1.964363      2.062291
  C      -9.623350      3.363556      1.993310
  C      -8.795278      4.042294      2.878349
  C      -8.084959      3.310597      3.822124
  F      -7.359649      3.995956      4.734578
  C      -8.155445      1.911995      3.906284
  C      -7.486106      1.120917      4.976918
  O      -8.072294      0.208201      5.549563
  N      -6.173117      1.482195      5.341040
  C      -5.856296      1.360218      6.637274
  C      -9.029772      1.261254      3.029236
  H      -8.535698      0.517484     -0.570626
  H      -7.249000      1.446007     -1.412040
  H      -7.261756     -0.349133     -1.429961
  H      -8.577815     -1.495537      0.561580
  H      -8.764573     -3.195182      2.363602
  H      -2.211369     -1.578125      4.877534
  H      -5.056203      0.060745      2.459039
  H      -7.042761     12.480887      1.065076
  H      -6.262748     12.040160     -0.461394
  H      -8.049393     12.188187     -0.389253
  H      -4.902722     11.507649      1.450998
  H      -3.097692     10.306842      2.677454
  H      -5.109147      3.821030      2.882272
  H      -7.154722      7.839077      1.231598
  H     -12.179064      1.268799     -0.352641
  H     -10.977158      2.592370     -0.475791
  H     -12.213084      2.655200      0.787571
  H     -10.178133      3.935845      1.250164
  H      -8.687639      5.125068      2.850263
  H      -6.599655      1.203766      7.430023
  H      -9.155870      0.181733      3.105923
  N      -3.536215      1.904000      2.624348
  H      -2.903792      1.155032      2.324156
  H      -3.070761      2.786036      2.388596
  H      -4.367053      1.838996      2.004399
90
Coordinates from ORCA-job orca E -6670.504720803823
  N      -2.172151      0.592217      4.807495
  Mo     -3.916576      1.747121      4.868406
  N      -4.556406      1.495580      6.804661
  C      -3.827825      1.867851      7.997580
  C      -2.381838      2.011927      7.544229
  N      -2.286056      2.706640      6.211310
  C      -0.944607      2.436813      5.604771
  C      -0.838101      0.961568      5.227205
  C      -2.511172      4.185767      6.330516
  C      -3.945263      4.528125      5.976841
  N      -4.275529      3.772719      4.766825
  H      -0.106748      0.845250      4.411525
  H      -0.497136      0.333546      6.065385
  H      -0.881908      3.058701      4.702423
  H      -0.143197      2.746305      6.294658
  H      -4.645970      4.256209      6.780013
  H      -4.049832      5.604775      5.782623
  H      -2.237727      4.525185      7.340200
  H      -1.845843      4.678195      5.609813
  H      -3.892293      1.100363      8.785446
  H      -4.219829      2.809125      8.416271
  H      -1.954828      1.009912      7.423611
  H      -1.771289      2.558775      8.278405
  C      -7.484137      0.475244     -0.818781
  C      -6.620207      0.474212      0.409398
  O      -5.776092      1.359122      0.594440
  C      -6.794758     -0.613804      1.412896
  C      -7.850883     -1.540435      1.404507
  C      -7.968434     -2.475395      2.431603
  C      -7.022662     -2.506252      3.454057
  F      -7.175483     -3.405970      4.432654
  C      -5.933652     -1.613099      3.481083
  C      -4.811668     -1.681695      4.450792
  O      -4.510266     -2.681030      5.089891
  N      -4.030924     -0.501499      4.505628
  C      -2.723168     -0.607182      4.745385
  C      -5.862493     -0.684334      2.446469
  C      -7.122238     11.916267      0.187290
  C      -7.257109     10.450352      0.527201
  O      -8.249193      9.809847      0.194073
  C      -6.144628      9.787745      1.283088
  C      -5.001138     10.480335      1.715176
  C      -3.998397      9.817588      2.416484
  C      -4.146570      8.462188      2.694525
  F      -3.130057      7.854063      3.347188
  C      -5.274592      7.729365      2.287847
  C      -5.506327      6.271656      2.547930
  O      -6.282941      5.634992      1.827831
  N      -4.858274      5.755211      3.669060
  C      -4.768919      4.450794      3.713808
  C      -6.253463      8.423303      1.568583
  C     -11.555533      1.942772      0.189165
  C     -10.665880      1.178915      1.137910
  O     -10.663948     -0.050999      1.154202
  C      -9.762604      1.948609      2.048584
  C      -9.623755      3.346388      1.965870
  C      -8.792382      4.029427      2.844767
  C      -8.083842      3.303517      3.794726
  F      -7.355687      3.994098      4.700443
  C      -8.159939      1.906381      3.891002
  C      -7.492112      1.121542      4.966929
  O      -8.081255      0.215318      5.547022
  N      -6.177301      1.479717      5.325594
  C      -5.856532      1.355528      6.619907
  C      -9.039231      1.252057      3.021856
  H      -8.550259      0.448371     -0.551470
  H      -7.270919      1.365275     -1.419562
  H      -7.288319     -0.430688     -1.414050
  H      -8.611172     -1.516534      0.625437
  H      -8.797880     -3.181879      2.462226
  H      -2.191077     -1.559715      4.878841
  H      -5.023507     -0.001162      2.427411
  H      -7.020767     12.519841      1.102231
  H      -6.220601     12.095185     -0.418164
  H      -8.008001     12.240712     -0.368239
  H      -4.882496     11.543160      1.503370
  H      -3.096038     10.332610      2.746803
  H      -5.103464      3.842552      2.861676
  H      -7.133367      7.878530      1.224764
  H     -12.171763      1.235918     -0.375732
  H     -10.952710      2.542278     -0.510881
  H     -12.202140      2.644540      0.737182
  H     -10.176541      3.914610      1.218033
  H      -8.681311      5.111578      2.807278
  H      -6.597375      1.194867      7.414344
  H      -9.172791      0.174556      3.111825
  N      -3.568862      1.897994      2.601710
  H      -2.924424      1.159325      2.301070
  H      -3.125011      2.786826      2.350727
  H      -4.405251      1.806804      1.992743
90
Coordinates from ORCA-job orca E -6670.504798538184
  N      -2.178628      0.600740      4.796188
  Mo     -3.923705      1.754724      4.860720
  N      -4.561255      1.509557      6.798562
  C      -3.829814      1.879467      7.990561
  C      -2.384420      2.019171      7.533578
  N      -2.291252      2.714795      6.201084
  C      -0.951331      2.447005      5.591056
  C      -0.843833      0.972305      5.212147
  C      -2.517709      4.193410      6.322565
  C      -3.951002      4.534681      5.966099
  N      -4.277364      3.780555      4.754373
  H      -0.115101      0.857864      4.393907
  H      -0.499105      0.344248      6.048748
  H      -0.891955      3.069460      4.688913
  H      -0.148461      2.757049      6.279058
  H      -4.653249      4.260859      6.767232
  H      -4.055962      5.611455      5.772933
  H      -2.247222      4.531035      7.333612
  H      -1.851287      4.688177      5.604462
  H      -3.895276      1.112057      8.778325
  H      -4.218153      2.821908      8.410129
  H      -1.960893      1.015975      7.410518
  H      -1.769845      2.563547      8.266227
  C      -7.489732      0.392982     -0.824102
  C      -6.646413      0.423641      0.418193
  O      -5.819827      1.324817      0.602784
  C      -6.808979     -0.659870      1.429498
  C      -7.853048     -1.600877      1.427214
  C      -7.963199     -2.525053      2.464642
  C      -7.019858     -2.533064      3.489744
  F      -7.165463     -3.422240      4.479229
  C      -5.940005     -1.629079      3.508315
  C      -4.817102     -1.679601      4.478333
  O      -4.507795     -2.671041      5.125952
  N      -4.038091     -0.497512      4.513573
  C      -2.729612     -0.599481      4.749166
  C      -5.877393     -0.709545      2.464942
  C      -7.119821     11.958422      0.250819
  C      -7.261783     10.491796      0.584362
  O      -8.264649      9.861559      0.263813
  C      -6.140797      9.815245      1.314726
  C      -4.986338     10.497313      1.734386
  C      -3.975375      9.821937      2.411555
  C      -4.126574      8.464718      2.678514
  F      -3.103021      7.843221      3.307865
  C      -5.265440      7.742682      2.284669
  C      -5.497491      6.283594      2.534900
  O      -6.269508      5.649707      1.807667
  N      -4.854780      5.764191      3.657139
  C      -4.767419      4.460011      3.699891
  C      -6.252297      8.448473      1.588415
  C     -11.540223      1.944393      0.164539
  C     -10.647921      1.182636      1.112627
  O     -10.649239     -0.047252      1.135237
  C      -9.747719      1.954727      2.024295
  C      -9.606722      3.351875      1.936304
  C      -8.779920      4.037678      2.817262
  C      -8.078957      3.314964      3.775216
  F      -7.358157      4.008430      4.684769
  C      -8.155995      1.918192      3.875945
  C      -7.493745      1.136726      4.957705
  O      -8.086844      0.234537      5.539932
  N      -6.179587      1.493714      5.318771
  C      -5.861357      1.371095      6.613991
  C      -9.030188      1.261060      3.004018
  H      -8.559005      0.347574     -0.573448
  H      -7.284889      1.279596     -1.432703
  H      -7.266457     -0.515889     -1.404952
  H      -8.610895     -1.595096      0.645503
  H      -8.784203     -3.241171      2.500767
  H      -2.196607     -1.550422      4.890309
  H      -5.046465     -0.016774      2.441335
  H      -6.997215     12.555940      1.167110
  H      -6.227387     12.133034     -0.369379
  H      -8.012359     12.293692     -0.287343
  H      -4.865619     11.561519      1.531241
  H      -3.064393     10.328451      2.731144
  H      -5.101215      3.853298      2.846470
  H      -7.140759      7.912047      1.253475
  H     -12.159396      1.236496     -0.395887
  H     -10.939057      2.540666     -0.539595
  H     -12.183891      2.649112      0.712117
  H     -10.153579      3.917292      1.182057
  H      -8.667152      5.119585      2.775782
  H      -6.603274      1.212971      7.407870
  H      -9.164739      0.183907      3.097492
  N      -3.591998      1.891469      2.591158
  H      -2.944674      1.154507      2.292633
  H      -3.155134      2.780765      2.329528
  H      -4.431273      1.790750      1.987377
90
Coordinates from ORCA-job orca E -6670.504862072748
  N      -2.179244      0.613709      4.773441
  Mo     -3.927545      1.763718      4.847541
  N      -4.563025      1.516865      6.786922
  C      -3.829732      1.880866      7.979608
  C      -2.384973      2.017797      7.520360
  N      -2.294930      2.720338      6.191561
  C      -0.955639      2.459390      5.577788
  C      -0.844628      0.987425      5.189604
  C      -2.524417      4.197945      6.321825
  C      -3.956219      4.539563      5.959893
  N      -4.276329      3.791533      4.742629
  H      -0.117395      0.880824      4.369009
  H      -0.496298      0.354842      6.021228
  H      -0.899214      3.087230      4.679191
  H      -0.152574      2.767487      6.266471
  H      -4.662057      4.261001      6.756201
  H      -4.061147      5.617258      5.771940
  H      -2.260514      4.528840      7.336796
  H      -1.854626      4.698897      5.611250
  H      -3.896692      1.110969      8.764771
  H      -4.214975      2.823087      8.402481
  H      -1.965095      1.013936      7.390333
  H      -1.766452      2.556513      8.253900
  C      -7.517046      0.323466     -0.816169
  C      -6.671364      0.375290      0.423826
  O      -5.852170      1.285099      0.598279
  C      -6.825279     -0.697440      1.447704
  C      -7.870432     -1.637318      1.464843
  C      -7.974204     -2.547754      2.514954
  C      -7.024032     -2.542880      3.533803
  F      -7.164265     -3.417693      4.536811
  C      -5.943159     -1.640222      3.532946
  C      -4.814901     -1.676046      4.497502
  O      -4.502195     -2.656642      5.159838
  N      -4.038163     -0.491936      4.511090
  C      -2.728845     -0.588038      4.742455
  C      -5.886308     -0.734982      2.476750
  C      -7.103728     12.005056      0.296038
  C      -7.246075     10.535439      0.615919
  O      -8.252766      9.910544      0.296962
  C      -6.125578      9.851742      1.340355
  C      -4.968001     10.527969      1.760695
  C      -3.957362      9.845653      2.431153
  C      -4.111746      8.487373      2.691127
  F      -3.087167      7.860521      3.313360
  C      -5.254117      7.770683      2.296440
  C      -5.489950      6.310306      2.537180
  O      -6.264038      5.682596      1.806840
  N      -4.848867      5.781988      3.656033
  C      -4.763000      4.477607      3.690426
  C      -6.240492      8.483934      1.606798
  C     -11.522267      1.913710      0.131461
  C     -10.639533      1.159089      1.094071
  O     -10.647389     -0.070462      1.131735
  C      -9.739728      1.937751      2.000472
  C      -9.592541      3.333247      1.897470
  C      -8.765996      4.025445      2.773826
  C      -8.072373      3.310661      3.743061
  F      -7.353921      4.010813      4.649030
  C      -8.154387      1.915419      3.857819
  C      -7.496158      1.142738      4.948176
  O      -8.092298      0.246688      5.537017
  N      -6.181814      1.499800      5.307735
  C      -5.862918      1.377622      6.603193
  C      -9.027860      1.252062      2.990077
  H      -8.584517      0.253771     -0.563322
  H      -7.332256      1.211906     -1.428350
  H      -7.274436     -0.582809     -1.393674
  H      -8.634242     -1.639572      0.688882
  H      -8.795991     -3.262047      2.566429
  H      -2.193263     -1.536113      4.893152
  H      -5.053818     -0.044644      2.438964
  H      -6.976336     12.593645      1.217513
  H      -6.214065     12.184798     -0.326678
  H      -7.998303     12.346464     -0.234876
  H      -4.844390     11.592794      1.562685
  H      -3.043756     10.347475      2.750659
  H      -5.096502      3.877418      2.832241
  H      -7.131552      7.951959      1.271753
  H     -12.143238      1.202308     -0.422539
  H     -10.913401      2.496140     -0.577670
  H     -12.163836      2.630299      0.665836
  H     -10.133967      3.892487      1.134700
  H      -8.648123      5.106360      2.720386
  H      -6.604518      1.218202      7.397056
  H      -9.165718      0.176283      3.094094
  N      -3.619078      1.888559      2.576361
  H      -2.967928      1.154911      2.277806
  H      -3.192545      2.778927      2.301367
  H      -4.462914      1.774632      1.981253
90
Coordinates from ORCA-job orca E -6670.504916740340
  N      -2.177056      0.637097      4.743207
  Mo     -3.934206      1.774779      4.830529
  N      -4.565219      1.521285      6.772795
  C      -3.830069      1.877806      7.966590
  C      -2.386847      2.018631      7.503833
  N      -2.304253      2.731754      6.180580
  C      -0.964947      2.484938      5.561752
  C      -0.844392      1.017259      5.161308
  C      -2.543808      4.206661      6.322902
  C      -3.975724      4.543116      5.956575
  N      -4.286738      3.803499      4.731847
  H      -0.117778      0.922863      4.338718
  H      -0.490645      0.379796      5.986863
  H      -0.914582      3.120273      4.668082
  H      -0.162650      2.792865      6.251433
  H      -4.684117      4.255034      6.747148
  H      -4.084966      5.621757      5.776670
  H      -2.287551      4.529990      7.342246
  H      -1.873480      4.718398      5.620630
  H      -3.895183      1.102445      8.746471
  H      -4.214995      2.816916      8.396462
  H      -1.967002      1.016024      7.363571
  H      -1.765372      2.552067      8.238760
  C      -7.562187      0.270454     -0.797404
  C      -6.709425      0.336513      0.437083
  O      -5.901842      1.257937      0.604759
  C      -6.844346     -0.734035      1.466120
  C      -7.880796     -1.683907      1.499025
  C      -7.967013     -2.587905      2.556259
  C      -7.008342     -2.566813      3.566873
  F      -7.132735     -3.433722      4.579039
  C      -5.935357     -1.655460      3.549375
  C      -4.798160     -1.674249      4.504186
  O      -4.474669     -2.644441      5.176494
  N      -4.030175     -0.484327      4.498264
  C      -2.719371     -0.568090      4.725974
  C      -5.896641     -0.755998      2.487342
  C      -7.043581     12.062817      0.317977
  C      -7.198708     10.592802      0.629917
  O      -8.203389      9.974591      0.292352
  C      -6.090706      9.898990      1.363874
  C      -4.932341     10.565519      1.797442
  C      -3.933328      9.873136      2.474582
  C      -4.098996      8.514769      2.727942
  F      -3.083062      7.881191      3.357532
  C      -5.243023      7.807324      2.320573
  C      -5.492156      6.347052      2.550366
  O      -6.274805      5.731806      1.818482
  N      -4.854109      5.803309      3.662859
  C      -4.770603      4.498600      3.684123
  C      -6.217598      8.531370      1.624703
  C     -11.526443      1.857152      0.114566
  C     -10.649530      1.112740      1.090509
  O     -10.671008     -0.115565      1.153975
  C      -9.744423      1.900972      1.983167
  C      -9.588158      3.293531      1.855620
  C      -8.757501      3.996041      2.719871
  C      -8.070150      3.294273      3.703005
  F      -7.350520      4.004922      4.599277
  C      -8.158815      1.901586      3.840212
  C      -7.501047      1.142702      4.940457
  O      -8.097333      0.252202      5.538085
  N      -6.186708      1.502693      5.295804
  C      -5.864470      1.377672      6.591029
  C      -9.035517      1.228070      2.983792
  H      -8.626022      0.178146     -0.536258
  H      -7.399570      1.163212     -1.409335
  H      -7.305843     -0.630256     -1.377786
  H      -8.650904     -1.699145      0.729354
  H      -8.781869     -3.309104      2.619190
  H      -2.177742     -1.511416      4.885107
  H      -5.071481     -0.057164      2.442967
  H      -6.922896     12.647251      1.242968
  H      -6.146534     12.240042     -0.294813
  H      -7.930178     12.411563     -0.221538
  H      -4.799244     11.630088      1.604342
  H      -3.019078     10.366909      2.804739
  H      -5.102822      3.908385      2.818351
  H      -7.109156      8.006141      1.280401
  H     -12.158751      1.141808     -0.421264
  H     -10.911310      2.413990     -0.609695
  H     -12.155976      2.595262      0.633509
  H     -10.125560      3.842571      1.082649
  H      -8.631195      5.074833      2.646364
  H      -6.604517      1.214142      7.385409
  H      -9.177017      0.154544      3.105133
  N      -3.648048      1.892762      2.559757
  H      -2.996402      1.160246      2.259273
  H      -3.227581      2.782363      2.272365
  H      -4.496483      1.772435      1.972227
90
Coordinates from ORCA-job orca E -6670.504947500079
  N      -2.177322      0.658082      4.716983
  Mo     -3.941362      1.785759      4.816631
  N      -4.568149      1.526246      6.759381
  C      -3.829334      1.876607      7.952852
  C      -2.387745      2.020345      7.486063
  N      -2.312130      2.743441      6.168077
  C      -0.973833      2.508928      5.542994
  C      -0.845573      1.044661      5.132719
  C      -2.560260      4.215692      6.322215
  C      -3.992571      4.547608      5.952614
  N      -4.295863      3.814236      4.721848
  H      -0.121667      0.960661      4.306587
  H      -0.484367      0.403972      5.952476
  H      -0.930724      3.150196      4.653141
  H      -0.170685      2.817367      6.231468
  H      -4.702917      4.251397      6.738390
  H      -4.106049      5.626870      5.779200
  H      -2.310398      4.531418      7.345490
  H      -1.889602      4.737477      5.627732
  H      -3.892460      1.097309      8.728927
  H      -4.213040      2.813691      8.388195
  H      -1.968693      1.018719      7.336556
  H      -1.763075      2.548475      8.222148
  C      -7.578069      0.202085     -0.795265
  C      -6.728331      0.290674      0.439617
  O      -5.922252      1.215870      0.593681
  C      -6.856679     -0.767976      1.481884
  C      -7.890722     -1.719505      1.531782
  C      -7.967013     -2.613547      2.598343
  C      -7.001430     -2.579948      3.602176
  F      -7.115316     -3.439148      4.622223
  C      -5.932186     -1.664718      3.569213
  C      -4.789316     -1.668548      4.517100
  O      -4.456797     -2.629859      5.197693
  N      -4.026804     -0.475396      4.491257
  C      -2.714287     -0.549756      4.712312
  C      -5.903032     -0.776036      2.497609
  C      -6.992010     12.115973      0.348045
  C      -7.156656     10.644140      0.646586
  O      -8.162092     10.033908      0.297192
  C      -6.058818      9.939435      1.385494
  C      -4.900648     10.596781      1.833701
  C      -3.911715      9.894479      2.515405
  C      -4.087081      8.535402      2.758079
  F      -3.081652      7.892303      3.394924
  C      -5.230599      7.836847      2.334946
  C      -5.489415      6.376710      2.554379
  O      -6.273239      5.771009      1.815648
  N      -4.856666      5.821656      3.664046
  C      -4.774196      4.516674      3.676374
  C      -6.195301      8.570780      1.635962
  C     -11.538062      1.809774      0.105238
  C     -10.664919      1.075102      1.091756
  O     -10.688681     -0.152312      1.169237
  C      -9.753343      1.871441      1.970562
  C      -9.589767      3.261137      1.822436
  C      -8.756537      3.972419      2.677082
  C      -8.072862      3.281483      3.670443
  F      -7.352512      4.001790      4.558332
  C      -8.166359      1.891031      3.826468
  C      -7.509316      1.143177      4.934865
  O      -8.106447      0.259243      5.541565
  N      -6.194545      1.505245      5.286469
  C      -5.867591      1.379731      6.580816
  C      -9.046944      1.209630      2.980138
  H      -8.640201      0.087496     -0.536663
  H      -7.431764      1.094412     -1.412028
  H      -7.300485     -0.695941     -1.370334
  H      -8.664953     -1.744582      0.766512
  H      -8.778735     -3.336989      2.673697
  H      -2.165768     -1.487816      4.879116
  H      -5.080860     -0.074566      2.440777
  H      -6.875478     12.692158      1.278689
  H      -6.089359     12.293599     -0.256262
  H      -7.872589     12.473617     -0.195397
  H      -4.760370     11.662036      1.649484
  H      -2.998283     10.381209      2.858106
  H      -5.100459      3.932539      2.804404
  H      -7.087097      8.053356      1.280790
  H     -12.173710      1.090075     -0.420669
  H     -10.920371      2.353722     -0.626590
  H     -12.164182      2.557705      0.614214
  H     -10.125120      3.801483      1.041979
  H      -8.624709      5.049383      2.588408
  H      -6.604612      1.211846      7.377091
  H      -9.193048      0.138708      3.117270
  N      -3.677217      1.899623      2.543563
  H      -3.027854      1.166596      2.239233
  H      -3.260391      2.788559      2.248828
  H      -4.531198      1.776518      1.965153
90
Coordinates from ORCA-job orca E -6670.504954345894
  N      -2.177182      0.675813      4.701093
  Mo     -3.946464      1.795672      4.809919
  N      -4.572077      1.531088      6.752732
  C      -3.832504      1.873312      7.948089
  C      -2.391251      2.018794      7.480537
  N      -2.318777      2.750610      6.166873
  C      -0.980458      2.525424      5.539472
  C      -0.846954      1.064531      5.120233
  C      -2.573791      4.220488      6.331708
  C      -4.005339      4.549791      5.957116
  N      -4.301080      3.823364      4.720524
  H      -0.122997      0.988402      4.293389
  H      -0.483495      0.419616      5.935559
  H      -0.940563      3.171891      4.653129
  H      -0.177627      2.832903      6.228811
  H      -4.718569      4.247718      6.738103
  H      -4.119966      5.629895      5.789653
  H      -2.331859      4.528528      7.359172
  H      -1.901155      4.751242      5.645965
  H      -3.897275      1.089492      8.719312
  H      -4.214900      2.808579      8.388538
  H      -1.973158      1.018149      7.323162
  H      -1.764282      2.542082      8.218065
  C      -7.615206      0.197954     -0.776754
  C      -6.759568      0.289822      0.453741
  O      -5.959960      1.220877      0.604813
  C      -6.872536     -0.774137      1.493362
  C      -7.889159     -1.744703      1.540303
  C      -7.949005     -2.644164      2.603243
  C      -6.982046     -2.598597      3.605275
  F      -7.079245     -3.465513      4.620905
  C      -5.928492     -1.665393      3.574575
  C      -4.781801     -1.660976      4.518195
  O      -4.439329     -2.620482      5.196417
  N      -4.023451     -0.465582      4.483984
  C      -2.710390     -0.533090      4.705598
  C      -5.918249     -0.769001      2.508354
  C      -6.950185     12.147992      0.359072
  C      -7.126029     10.676754      0.654613
  O      -8.140061     10.076885      0.312136
  C      -6.033389      9.963033      1.392464
  C      -4.867498     10.610479      1.836024
  C      -3.883919      9.900215      2.516923
  C      -4.072075      8.543667      2.764318
  F      -3.071060      7.892805      3.400717
  C      -5.223165      7.855410      2.345970
  C      -5.496075      6.398864      2.571079
  O      -6.295873      5.800947      1.843099
  N      -4.857767      5.837129      3.672923
  C      -4.773129      4.532839      3.676775
  C      -6.182329      8.596634      1.647320
  C     -11.552600      1.762232      0.105631
  C     -10.676023      1.035501      1.095343
  O     -10.695991     -0.191327      1.180167
  C      -9.758551      1.839227      1.961471
  C      -9.586397      3.225404      1.792200
  C      -8.750807      3.945454      2.637343
  C      -8.073620      3.265295      3.642610
  F      -7.356819      3.994646      4.525411
  C      -8.170816      1.876805      3.816268
  C      -7.510519      1.137447      4.928576
  O      -8.104694      0.254910      5.540753
  N      -6.198084      1.508064      5.280193
  C      -5.870400      1.379324      6.574772
  C      -9.055105      1.187934      2.979843
  H      -8.673869      0.071311     -0.510684
  H      -7.482378      1.094058     -1.391153
  H      -7.332250     -0.694790     -1.357269
  H      -8.662716     -1.780976      0.774775
  H      -8.748478     -3.381406      2.676313
  H      -2.158509     -1.467749      4.880622
  H      -5.111908     -0.048998      2.458114
  H      -6.820559     12.720967      1.289958
  H      -6.050974     12.318645     -0.252406
  H      -7.831774     12.515177     -0.176447
  H      -4.717811     11.673878      1.648789
  H      -2.964945     10.378500      2.856647
  H      -5.094645      3.954884      2.799132
  H      -7.080383      8.086640      1.296749
  H     -12.194852      1.039374     -0.407801
  H     -10.937059      2.294193     -0.636761
  H     -12.171639      2.519426      0.609271
  H     -10.117943      3.756321      1.002730
  H      -8.610293      5.020065      2.532724
  H      -6.606992      1.206101      7.370221
  H      -9.205129      0.119639      3.132348
  N      -3.687317      1.909842      2.536142
  H      -3.045249      1.170656      2.231211
  H      -3.262813      2.794078      2.237868
  H      -4.543216      1.794279      1.959597
90
Coordinates from ORCA-job orca E -6670.504984661064
  N      -2.177929      0.689750      4.683608
  Mo     -3.951329      1.803133      4.800521
  N      -4.575866      1.535893      6.742620
  C      -3.833342      1.871907      7.937804
  C      -2.393077      2.018168      7.467405
  N      -2.324480      2.757704      6.158239
  C      -0.986789      2.541590      5.526797
  C      -0.847877      1.083410      5.099149
  C      -2.585282      4.225485      6.332464
  C      -4.016233      4.552550      5.953052
  N      -4.304629      3.830954      4.711435
  H      -0.126977      1.015383      4.268961
  H      -0.477831      0.436303      5.909753
  H      -0.951915      3.193272      4.644016
  H      -0.183538      2.848917      6.215697
  H      -4.732143      4.244565      6.729178
  H      -4.133142      5.633105      5.790220
  H      -2.349752      4.526879      7.363356
  H      -1.910815      4.763747      5.654459
  H      -3.897106      1.084935      8.705818
  H      -4.213694      2.805951      8.382744
  H      -1.976758      1.017869      7.302944
  H      -1.763493      2.536239      8.206416
  C      -7.624650      0.112077     -0.781393
  C      -6.771707      0.230189      0.448669
  O      -5.987466      1.175556      0.591376
  C      -6.880255     -0.816778      1.505705
  C      -7.896216     -1.786533      1.571886
  C      -7.951085     -2.669527      2.648826
  C      -6.979341     -2.609292      3.645365
  F      -7.071598     -3.461604      4.673648
  C      -5.926118     -1.676303      3.595836
  C      -4.775667     -1.657902      4.534341
  O      -4.432446     -2.605887      5.228284
  N      -4.021581     -0.460259      4.484645
  C      -2.707539     -0.520975      4.700352
  C      -5.921248     -0.795954      2.516212
  C      -6.935983     12.184388      0.397732
  C      -7.119581     10.714320      0.694582
  O      -8.133281     10.117660      0.345762
  C      -6.023705      9.991510      1.418724
  C      -4.853051     10.632174      1.859581
  C      -3.866983      9.914211      2.528842
  C      -4.057896      8.556548      2.767190
  F      -3.054816      7.896475      3.390856
  C      -5.213414      7.874801      2.350731
  C      -5.488374      6.417700      2.568552
  O      -6.287290      5.824221      1.835687
  N      -4.855038      5.850927      3.670863
  C      -4.769364      4.546557      3.668534
  C      -6.175041      8.623420      1.663589
  C     -11.543759      1.760982      0.084813
  C     -10.666128      1.035811      1.074519
  O     -10.691327     -0.190552      1.166090
  C      -9.751545      1.840623      1.942492
  C      -9.576230      3.226040      1.769759
  C      -8.742297      3.947180      2.615840
  C      -8.070538      3.268344      3.625590
  F      -7.354954      3.998434      4.508941
  C      -8.171323      1.880674      3.803451
  C      -7.515528      1.143514      4.919750
  O      -8.112188      0.263328      5.532794
  N      -6.202393      1.512009      5.271393
  C      -5.873967      1.381485      6.565534
  C      -9.053869      1.191067      2.965767
  H      -8.681440     -0.033986     -0.517847
  H      -7.508051      1.005885     -1.402583
  H      -7.321436     -0.778414     -1.355176
  H      -8.674308     -1.833649      0.811617
  H      -8.750124     -3.405634      2.736657
  H      -2.152118     -1.452567      4.880808
  H      -5.115161     -0.076810      2.449909
  H      -6.802765     12.757050      1.328253
  H      -6.035985     12.349541     -0.214173
  H      -7.815805     12.556190     -0.137419
  H      -4.701525     11.696569      1.679532
  H      -2.944305     10.387289      2.865822
  H      -5.083827      3.973756      2.785310
  H      -7.077006      8.119185      1.314946
  H     -12.188248      1.037678     -0.425131
  H     -10.928391      2.289422     -0.660227
  H     -12.160550      2.520618      0.587607
  H     -10.103542      3.755477      0.976449
  H      -8.598764      5.021222      2.508818
  H      -6.609505      1.204615      7.361142
  H      -9.206742      0.123513      3.120668
  N      -3.716180      1.906832      2.523737
  H      -3.073463      1.168899      2.217089
  H      -3.299552      2.791325      2.215618
  H      -4.577270      1.780711      1.958077
90
Coordinates from ORCA-job orca E -6670.504999012445
  N      -2.178029      0.698077      4.675938
  Mo     -3.954458      1.806280      4.795939
  N      -4.577386      1.537158      6.738208
  C      -3.833665      1.871121      7.933137
  C      -2.394354      2.020694      7.461036
  N      -2.329150      2.763118      6.153592
  C      -0.991406      2.552332      5.520544
  C      -0.848452      1.095337      5.089624
  C      -2.594253      4.229758      6.330837
  C      -4.025711      4.553895      5.950605
  N      -4.311158      3.833786      4.707216
  H      -0.128720      1.031121      4.258178
  H      -0.474978      0.448140      5.898652
  H      -0.959247      3.206212      4.639289
  H      -0.188581      2.860657      6.209479
  H      -4.741610      4.242749      6.725375
  H      -4.145100      5.634437      5.789472
  H      -2.360530      4.529628      7.362600
  H      -1.920513      4.771386      5.654817
  H      -3.894824      1.082159      8.699310
  H      -4.214698      2.803516      8.380988
  H      -1.976486      1.021423      7.293722
  H      -1.764766      2.538086      8.200535
  C      -7.632895      0.085567     -0.779426
  C      -6.784528      0.214469      0.452892
  O      -6.001914      1.161925      0.590844
  C      -6.885972     -0.830713      1.512123
  C      -7.898468     -1.803819      1.584027
  C      -7.946692     -2.684177      2.663420
  C      -6.971762     -2.618586      3.656322
  F      -7.058530     -3.467436      4.687751
  C      -5.921633     -1.682385      3.600657
  C      -4.768929     -1.657798      4.535977
  O      -4.421966     -2.602477      5.232609
  N      -4.018721     -0.457776      4.482477
  C      -2.703991     -0.514173      4.694442
  C      -5.923507     -0.804631      2.519310
  C      -6.915921     12.202970      0.407184
  C      -7.100285     10.730999      0.693708
  O      -8.113494     10.136948      0.339090
  C      -6.010356     10.005257      1.423908
  C      -4.842398     10.643677      1.874701
  C      -3.860916      9.922843      2.547613
  C      -4.054024      8.564416      2.779756
  F      -3.055223      7.901753      3.407500
  C      -5.207988      7.884887      2.354910
  C      -5.485533      6.427295      2.566693
  O      -6.281927      5.836698      1.828637
  N      -4.858572      5.856371      3.670499
  C      -4.773399      4.551863      3.665075
  C      -6.164878      8.636672      1.664170
  C     -11.547826      1.750307      0.083113
  C     -10.671104      1.027372      1.075187
  O     -10.695399     -0.198990      1.168407
  C      -9.755371      1.833718      1.940273
  C      -9.579381      3.218553      1.763586
  C      -8.742444      3.941077      2.605545
  C      -8.069607      3.264404      3.616031
  F      -7.348631      3.995633      4.494158
  C      -8.172895      1.877754      3.799080
  C      -7.518263      1.144029      4.917973
  O      -8.114193      0.263294      5.530783
  N      -6.204432      1.511701      5.267957
  C      -5.875216      1.379951      6.561708
  C      -9.056530      1.186333      2.964131
  H      -8.690234     -0.063375     -0.519683
  H      -7.518176      0.976958     -1.404455
  H      -7.323152     -0.805769     -1.348414
  H      -8.679655     -1.855811      0.827215
  H      -8.743210     -3.422515      2.755479
  H      -2.146611     -1.444828      4.873862
  H      -5.119923     -0.083042      2.448921
  H      -6.788799     12.770198      1.341909
  H      -6.012367     12.372204     -0.198300
  H      -7.792708     12.577493     -0.131027
  H      -4.688797     11.708475      1.698849
  H      -2.939857     10.394081      2.891565
  H      -5.083931      3.982033      2.778478
  H      -7.064867      8.134136      1.308398
  H     -12.193114      1.026042     -0.424449
  H     -10.931009      2.274788     -0.663616
  H     -12.163541      2.512828      0.582769
  H     -10.107323      3.746237      0.969484
  H      -8.597436      5.014516      2.494905
  H      -6.609941      1.200517      7.357453
  H      -9.210339      0.119281      3.122020
  N      -3.727892      1.906180      2.518391
  H      -3.085871      1.167997      2.210841
  H      -3.313050      2.790174      2.206698
  H      -4.591255      1.777441      1.956685
90
Coordinates from ORCA-job orca E -6670.505006989681
  N      -2.178300      0.713404      4.659292
  Mo     -3.959748      1.813356      4.787190
  N      -4.580953      1.539343      6.729038
  C      -3.835730      1.867567      7.924721
  C      -2.397458      2.020251      7.451095
  N      -2.336805      2.770568      6.148075
  C      -0.999281      2.569413      5.511998
  C      -0.849948      1.115409      5.072967
  C      -2.608636      4.234988      6.334030
  C      -4.039780      4.555984      5.949530
  N      -4.317976      3.840697      4.701387
  H      -0.131526      1.059587      4.239811
  H      -0.471761      0.465473      5.877573
  H      -0.971237      3.228028      4.634130
  H      -0.196911      2.877779      6.201473
  H      -4.757743      4.239049      6.719986
  H      -4.162102      5.636864      5.793052
  H      -2.381200      4.528749      7.368924
  H      -1.933934      4.784102      5.665097
  H      -3.895817      1.074756      8.686986
  H      -4.216667      2.797611      8.377511
  H      -1.979211      1.022414      7.276570
  H      -1.766579      2.533823      8.192188
  C      -7.649817      0.045755     -0.770967
  C      -6.799569      0.187404      0.458747
  O      -6.020344      1.138597      0.589042
  C      -6.893340     -0.851901      1.524519
  C      -7.901701     -1.828677      1.605997
  C      -7.941254     -2.703945      2.689941
  C      -6.961882     -2.629290      3.677826
  F      -7.040162     -3.473389      4.713816
  C      -5.916366     -1.688656      3.612727
  C      -4.760147     -1.654097      4.542968
  O      -4.404261     -2.594182      5.241405
  N      -4.015108     -0.451604      4.477532
  C      -2.699558     -0.500986      4.684998
  C      -5.926837     -0.816103      2.527289
  C      -6.885378     12.235691      0.429382
  C      -7.078147     10.763962      0.711531
  O      -8.096606     10.177723      0.358972
  C      -5.991586     10.029334      1.437941
  C      -4.818383     10.658908      1.887380
  C      -3.840048      9.930123      2.556282
  C      -4.041631      8.572428      2.785495
  F      -3.045966      7.901682      3.409630
  C      -5.201327      7.901571      2.362111
  C      -5.487159      6.445076      2.571001
  O      -6.287964      5.860296      1.833158
  N      -4.861749      5.867987      3.672071
  C      -4.775652      4.563894      3.660534
  C      -6.154898      8.661314      1.675583
  C     -11.550779      1.725792      0.073282
  C     -10.673526      1.007692      1.068369
  O     -10.696770     -0.218216      1.166952
  C      -9.758507      1.818598      1.930077
  C      -9.578875      3.201714      1.743915
  C      -8.740937      3.928059      2.581669
  C      -8.071745      3.256846      3.598364
  F      -7.351783      3.992726      4.473137
  C      -8.178053      1.871778      3.790621
  C      -7.523409      1.142463      4.912258
  O      -8.119524      0.264517      5.529005
  N      -6.210025      1.512377      5.261214
  C      -5.878503      1.378415      6.554093
  C      -9.062235      1.176733      2.959206
  H      -8.704134     -0.118734     -0.508667
  H      -7.548937      0.937664     -1.397649
  H      -7.328070     -0.841782     -1.339477
  H      -8.685799     -1.887834      0.852657
  H      -8.734209     -3.445144      2.789536
  H      -2.136632     -1.427437      4.868980
  H      -5.126711     -0.091311      2.449305
  H      -6.751863     12.798942      1.365641
  H      -5.982572     12.401253     -0.178232
  H      -7.761378     12.617519     -0.104977
  H      -4.658163     11.723028      1.713363
  H      -2.915087     10.394492      2.899065
  H      -5.080618      3.998496      2.769119
  H      -7.059262      8.165889      1.320929
  H     -12.196999      0.999192     -0.429794
  H     -10.934495      2.245746     -0.677017
  H     -12.165340      2.491480      0.569484
  H     -10.104379      3.724891      0.945182
  H      -8.592293      5.000318      2.463914
  H      -6.611352      1.193987      7.350413
  H      -9.217505      0.110883      3.123718
  N      -3.744610      1.910151      2.508103
  H      -3.105225      1.170144      2.199325
  H      -3.329635      2.792529      2.192225
  H      -4.610759      1.781101      1.951030
90
Coordinates from ORCA-job orca E -6670.505013900404
  N      -2.177914      0.723034      4.649558
  Mo     -3.962572      1.817495      4.782768
  N      -4.582685      1.540604      6.724032
  C      -3.836190      1.864616      7.920063
  C      -2.398590      2.019945      7.445296
  N      -2.340862      2.775011      6.144934
  C      -1.003467      2.579925      5.506814
  C      -0.850192      1.127960      5.062396
  C      -2.616852      4.237975      6.336378
  C      -4.047826      4.557152      5.949575
  N      -4.321641      3.844843      4.698612
  H      -0.132894      1.077410      4.227958
  H      -0.468728      0.476479      5.864179
  H      -0.977918      3.241760      4.631281
  H      -0.201389      2.888120      6.196724
  H      -4.766950      4.236809      6.717552
  H      -4.171783      5.638212      5.795777
  H      -2.393096      4.527819      7.373158
  H      -1.941628      4.791718      5.671834
  H      -3.895019      1.068953      8.679449
  H      -4.217237      2.792788      8.376636
  H      -1.979524      1.023285      7.266391
  H      -1.767291      2.531442      8.187493
  C      -7.659461      0.019123     -0.768778
  C      -6.809322      0.170563      0.459840
  O      -6.033349      1.125077      0.584830
  C      -6.898739     -0.863647      1.531122
  C      -7.905253     -1.841749      1.620120
  C      -7.939645     -2.712779      2.707731
  C      -6.956950     -2.632663      3.691775
  F      -7.029548     -3.473234      4.731027
  C      -5.913222     -1.690605      3.619025
  C      -4.754166     -1.651298      4.545306
  O      -4.394078     -2.588829      5.245113
  N      -4.012081     -0.447302      4.474823
  C      -2.695937     -0.492665      4.678746
  C      -5.928809     -0.822169      2.530358
  C      -6.867797     12.253676      0.440835
  C      -7.064752     10.781996      0.720241
  O      -8.083758     10.198716      0.364324
  C      -5.980833     10.043117      1.446358
  C      -4.806397     10.668715      1.897896
  C      -3.830440      9.936249      2.566327
  C      -4.035972      8.578719      2.792790
  F      -3.042745      7.903663      3.416209
  C      -5.197072      7.911733      2.367133
  C      -5.486280      6.455593      2.573396
  O      -6.288061      5.873586      1.834446
  N      -4.862762      5.875204      3.673584
  C      -4.775109      4.571405      3.658334
  C      -6.148102      8.675074      1.681195
  C     -11.552651      1.712325      0.067993
  C     -10.675912      0.996910      1.065436
  O     -10.699618     -0.228671      1.167801
  C      -9.759983      1.809929      1.924153
  C      -9.577158      3.191747      1.731713
  C      -8.738492      3.920149      2.566951
  C      -8.071509      3.252037      3.587231
  F      -7.352032      3.990594      4.459950
  C      -8.180167      1.867943      3.785257
  C      -7.526148      1.141261      4.908968
  O      -8.122329      0.264274      5.527067
  N      -6.212705      1.511873      5.257444
  C      -5.880062      1.377101      6.549937
  C      -9.065584      1.171220      2.956547
  H      -8.713274     -0.146658     -0.505464
  H      -7.561439      0.907746     -1.400726
  H      -7.334777     -0.870424     -1.332343
  H      -8.692171     -1.905432      0.870082
  H      -8.731054     -3.454878      2.812947
  H      -2.130301     -1.417311      4.863616
  H      -5.129951     -0.096653      2.446011
  H      -6.734712     12.815078      1.378277
  H      -5.963394     12.417961     -0.164778
  H      -7.741832     12.638533     -0.094579
  H      -4.643361     11.732770      1.726079
  H      -2.904618     10.397645      2.910732
  H      -5.075593      4.009061      2.763470
  H      -7.053535      8.182774      1.324877
  H     -12.201523      0.984898     -0.430466
  H     -10.935742      2.226207     -0.685995
  H     -12.164171      2.482574      0.560800
  H     -10.101431      3.712412      0.930532
  H      -8.587679      4.991737      2.445298
  H      -6.611677      1.189184      7.346562
  H      -9.223333      0.106500      3.125754
  N      -3.756918      1.910589      2.502363
  H      -3.118908      1.169696      2.192828
  H      -3.342862      2.792092      2.182999
  H      -4.625346      1.779662      1.949578
90
Coordinates from ORCA-job orca E -6670.505022166102
  N      -2.177167      0.740282      4.631950
  Mo     -3.967989      1.823480      4.775481
  N      -4.585359      1.540585      6.715762
  C      -3.836543      1.856716      7.912426
  C      -2.400420      2.018398      7.435331
  N      -2.349041      2.782214      6.139950
  C      -1.011953      2.599272      5.497674
  C      -0.850666      1.151400      5.042670
  C      -2.633120      4.242385      6.341538
  C      -4.063993      4.557755      5.950811
  N      -4.329681      3.850934      4.694814
  H      -0.135850      1.111384      4.205572
  H      -0.462323      0.497113      5.838833
  H      -0.991680      3.267386      4.626786
  H      -0.210515      2.907341      6.188407
  H      -4.784838      4.230736      6.714363
  H      -4.191549      5.639086      5.802010
  H      -2.415778      4.525035      7.381633
  H      -1.957436      4.804725      5.684808
  H      -3.892079      1.055241      8.665922
  H      -4.218513      2.780667      8.376813
  H      -1.978698      1.024393      7.248317
  H      -1.768889      2.526767      8.179513
  C      -7.672506     -0.032183     -0.767127
  C      -6.823828      0.137403      0.460131
  O      -6.055295      1.098870      0.576921
  C      -6.906079     -0.887131      1.541477
  C      -7.911425     -1.864989      1.645761
  C      -7.938114     -2.726623      2.741226
  C      -6.948648     -2.637815      3.717592
  F      -7.013170     -3.468981      4.764886
  C      -5.906077     -1.695844      3.629188
  C      -4.741362     -1.648255      4.547696
  O      -4.372941     -2.581504      5.249024
  N      -4.005529     -0.440875      4.469237
  C      -2.688139     -0.478388      4.665627
  C      -5.929241     -0.836611      2.533527
  C      -6.840215     12.281542      0.458592
  C      -7.043231     10.809756      0.732825
  O      -8.062915     10.231047      0.371381
  C      -5.963911     10.064479      1.459378
  C      -4.788177     10.684123      1.915291
  C      -3.816176      9.946066      2.583506
  C      -4.027555      8.588716      2.805204
  F      -3.038260      7.907279      3.428016
  C      -5.190467      7.927546      2.375228
  C      -5.484632      6.471767      2.576363
  O      -6.285971      5.893886      1.833759
  N      -4.866476      5.886211      3.676594
  C      -4.776174      4.582919      3.655460
  C      -6.137156      8.696343      1.689551
  C     -11.552899      1.698221      0.058200
  C     -10.677967      0.985962      1.059438
  O     -10.704036     -0.239068      1.167849
  C      -9.761163      1.801284      1.914927
  C      -9.573146      3.181289      1.714553
  C      -8.733334      3.911545      2.547008
  C      -8.070449      3.247038      3.572464
  F      -7.351204      3.988426      4.442649
  C      -8.183264      1.864336      3.777696
  C      -7.530647      1.140192      4.903778
  O      -8.127374      0.264446      5.523135
  N      -6.217061      1.511000      5.251880
  C      -5.882457      1.372784      6.543345
  C      -9.070181      1.166194      2.951868
  H      -8.726046     -0.197952     -0.502732
  H      -7.577509      0.849223     -1.409728
  H      -7.343648     -0.926911     -1.319785
  H      -8.704391     -1.935506      0.902668
  H      -8.728635     -3.467944      2.858181
  H      -2.116265     -1.399460      4.849272
  H      -5.130735     -0.112327      2.436244
  H      -6.709221     12.839641      1.398313
  H      -5.932824     12.444780     -0.142837
  H      -7.710835     12.670851     -0.079177
  H      -4.620913     11.748135      1.747246
  H      -2.889402     10.403106      2.931071
  H      -5.068405      4.025763      2.754621
  H      -7.043701      8.208539      1.329781
  H     -12.206984      0.970380     -0.432810
  H     -10.934092      2.201067     -0.701736
  H     -12.158357      2.476894      0.545044
  H     -10.094663      3.699077      0.909704
  H      -8.578760      4.982130      2.420520
  H      -6.611747      1.178390      7.340533
  H      -9.231781      0.102973      3.126540
  N      -3.780041      1.910506      2.493027
  H      -3.144521      1.168273      2.181569
  H      -3.367710      2.790628      2.167856
  H      -4.652722      1.777129      1.947999
90
Coordinates from ORCA-job orca E -6670.505028493606
  N      -2.179125      0.758635      4.613019
  Mo     -3.974741      1.831983      4.768946
  N      -4.587609      1.542687      6.708835
  C      -3.835664      1.850538      7.905707
  C      -2.401203      2.017502      7.425332
  N      -2.356794      2.790056      6.135049
  C      -1.020922      2.618448      5.487304
  C      -0.853213      1.174868      5.020900
  C      -2.647505      4.247574      6.347525
  C      -4.078241      4.560469      5.953649
  N      -4.337085      3.859963      4.692704
  H      -0.141809      1.145445      4.180483
  H      -0.457670      0.517003      5.810535
  H      -1.006536      3.293026      4.621298
  H      -0.219132      2.925549      6.178079
  H      -4.800593      4.227026      6.713003
  H      -4.208621      5.642233      5.810432
  H      -2.435773      4.522257      7.390866
  H      -1.971352      4.818138      5.698514
  H      -3.888168      1.043212      8.653135
  H      -4.217679      2.770373      8.378220
  H      -1.977710      1.025889      7.229823
  H      -1.768369      2.522357      8.170807
  C      -7.688586     -0.077685     -0.766007
  C      -6.843776      0.110910      0.461125
  O      -6.083222      1.079441      0.570693
  C      -6.917765     -0.905540      1.550898
  C      -7.921248     -1.883638      1.669212
  C      -7.940436     -2.736389      2.771844
  C      -6.944757     -2.638931      3.740961
  F      -7.001176     -3.461281      4.795687
  C      -5.903600     -1.697030      3.638008
  C      -4.732618     -1.642359      4.548185
  O      -4.355937     -2.572182      5.249748
  N      -4.002507     -0.431971      4.462478
  C      -2.683822     -0.462762      4.650566
  C      -5.934342     -0.846199      2.535992
  C      -6.806110     12.313645      0.476861
  C      -7.016855     10.842239      0.747207
  O      -8.037710     10.268914      0.380552
  C      -5.942813     10.090069      1.474542
  C      -4.765316     10.703082      1.934674
  C      -3.798087      9.958858      2.603048
  C      -4.016173      8.601942      2.820612
  F      -3.031194      7.914364      3.443643
  C      -5.181309      7.947272      2.386525
  C      -5.481900      6.492108      2.582724
  O      -6.284444      5.919391      1.837418
  N      -4.868514      5.900499      3.682068
  C      -4.777422      4.597624      3.654765
  C      -6.122923      8.722148      1.700794
  C     -11.554512      1.663558      0.050451
  C     -10.680796      0.958390      1.057749
  O     -10.710762     -0.265403      1.178553
  C      -9.761724      1.779368      1.905310
  C      -9.567614      3.156339      1.690315
  C      -8.725947      3.891830      2.516254
  C      -8.067852      3.235695      3.550277
  F      -7.348427      3.983635      4.414386
  C      -8.185545      1.855535      3.769216
  C      -7.534957      1.138859      4.901203
  O      -8.131690      0.265256      5.523659
  N      -6.221592      1.511397      5.248095
  C      -5.884551      1.371100      6.538744
  C      -9.074082      1.152458      2.949421
  H      -8.741255     -0.249403     -0.501984
  H      -7.599666      0.797847     -1.417460
  H      -7.350832     -0.975257     -1.308594
  H      -8.719451     -1.960681      0.932305
  H      -8.729732     -3.477195      2.899811
  H      -2.105088     -1.380159      4.831108
  H      -5.136540     -0.122779      2.426942
  H      -6.676742     12.869072      1.418398
  H      -5.895583     12.474507     -0.120440
  H      -7.672842     12.707849     -0.063632
  H      -4.592921     11.766792      1.769914
  H      -2.870079     10.410929      2.953782
  H      -5.063855      4.045767      2.748828
  H      -7.030859      8.239270      1.337875
  H     -12.214731      0.933751     -0.429331
  H     -10.934502      2.151830     -0.718049
  H     -12.152975      2.452948      0.528450
  H     -10.085672      3.667546      0.879037
  H      -8.566341      4.960440      2.379090
  H      -6.611230      1.170862      7.336833
  H      -9.239770      0.091658      3.134565
  N      -3.805561      1.914152      2.484995
  H      -3.172471      1.171022      2.170828
  H      -3.395403      2.793175      2.154134
  H      -4.682618      1.779356      1.947846
90
Coordinates from ORCA-job orca E -6670.505040305747
  N      -2.179397      0.785701      4.582014
  Mo     -3.984180      1.841025      4.757441
  N      -4.590332      1.541398      6.696765
  C      -3.833702      1.837067      7.893759
  C      -2.401963      2.014194      7.408150
  N      -2.369193      2.800310      6.126113
  C      -1.035097      2.648489      5.469925
  C      -0.855237      1.212237      4.985525
  C      -2.671862      4.253118      6.355438
  C      -4.102434      4.560843      5.956030
  N      -4.349663      3.869729      4.687667
  H      -0.149233      1.200650      4.140159
  H      -0.447365      0.549652      5.764873
  H      -1.031296      3.333299      4.611877
  H      -0.233082      2.955207      6.160623
  H      -4.827060      4.216652      6.708403
  H      -4.238339      5.643045      5.821286
  H      -2.469113      4.515509      7.403649
  H      -1.995578      4.837035      5.718707
  H      -3.880287      1.020557      8.631514
  H      -4.216733      2.749856      8.379055
  H      -1.974840      1.026731      7.199553
  H      -1.767603      2.514114      8.155668
  C      -7.708838     -0.173052     -0.763643
  C      -6.868285      0.046923      0.461058
  O      -6.121621      1.027558      0.557024
  C      -6.929685     -0.952438      1.567588
  C      -7.932730     -1.926805      1.714590
  C      -7.940878     -2.759772      2.832565
  C      -6.934035     -2.646765      3.788229
  F      -6.978702     -3.449154      4.858940
  C      -5.892957     -1.708619      3.656245
  C      -4.711881     -1.638751      4.552210
  O      -4.320568     -2.560639      5.256254
  N      -3.993226     -0.422501      4.451855
  C      -2.672322     -0.440577      4.625956
  C      -5.934282     -0.877454      2.539657
  C      -6.767112     12.354142      0.502921
  C      -6.985828     10.882309      0.764485
  O      -8.007735     10.315718      0.390445
  C      -5.919431     10.121870      1.494486
  C      -4.741781     10.727419      1.963929
  C      -3.781482      9.975830      2.634242
  C      -4.006929      8.619043      2.844386
  F      -3.028631      7.923905      3.469766
  C      -5.172543      7.971731      2.400885
  C      -5.479749      6.516963      2.588676
  O      -6.280351      5.950589      1.836294
  N      -4.874351      5.917739      3.688134
  C      -4.781280      4.615251      3.651992
  C      -6.107008      8.753708      1.713624
  C     -11.543357      1.656231      0.027159
  C     -10.675831      0.953002      1.041074
  O     -10.709716     -0.270225      1.167025
  C      -9.756704      1.774891      1.887513
  C      -9.556423      3.150037      1.666206
  C      -8.716086      3.886488      2.492633
  C      -8.065443      3.233141      3.533187
  F      -7.349399      3.982802      4.398325
  C      -8.187458      1.854200      3.757199
  C      -7.540166      1.139025      4.892075
  O      -8.138458      0.266605      5.514793
  N      -6.227242      1.511747      5.240082
  C      -5.887026      1.364483      6.529346
  C      -9.075167      1.150570      2.937120
  H      -8.761958     -0.340394     -0.498030
  H      -7.621059      0.686908     -1.435707
  H      -7.367631     -1.082664     -1.283310
  H      -8.740470     -2.015074      0.989353
  H      -8.729994     -3.496595      2.982652
  H      -2.083189     -1.352377      4.801176
  H      -5.135340     -0.159083      2.407106
  H      -6.642022     12.904147      1.448216
  H      -5.852050     12.514725     -0.087419
  H      -7.628671     12.754563     -0.041253
  H      -4.563814     11.791145      1.805251
  H      -2.853553     10.422468      2.992084
  H      -5.058795      4.071031      2.738849
  H      -7.015065      8.276353      1.343756
  H     -12.210126      0.927812     -0.445621
  H     -10.917873      2.129559     -0.746436
  H     -12.133910      2.456910      0.495867
  H     -10.068512      3.658955      0.849712
  H      -8.551883      4.954004      2.351630
  H      -6.610206      1.155370      7.328268
  H      -9.245033      0.091151      3.126115
  N      -3.849666      1.913722      2.472052
  H      -3.217820      1.171771      2.152761
  H      -3.447885      2.792582      2.130567
  H      -4.734033      1.772510      1.949508
90
Coordinates from ORCA-job orca E -6670.505061698296
  N      -2.182701      0.813641      4.547765
  Mo     -3.995615      1.850317      4.748782
  N      -4.590558      1.536275      6.688361
  C      -3.826653      1.818251      7.884094
  C      -2.398779      2.006790      7.390524
  N      -2.380998      2.808370      6.118265
  C      -1.050622      2.677873      5.449860
  C      -0.859585      1.250302      4.944384
  C      -2.694502      4.256082      6.367665
  C      -4.125212      4.560456      5.964941
  N      -4.363526      3.880250      4.689294
  H      -0.161575      1.258603      4.092390
  H      -0.436998      0.581910      5.710814
  H      -1.060563      3.374202      4.601209
  H      -0.246413      2.983361      6.138539
  H      -4.851077      4.205264      6.711022
  H      -4.265990      5.643252      5.840139
  H      -2.498989      4.503726      7.420714
  H      -2.018706      4.853916      5.743627
  H      -3.865703      0.991521      8.610797
  H      -4.209788      2.722975      8.384283
  H      -1.968376      1.023984      7.166542
  H      -1.761286      2.500881      8.139260
  C      -7.722488     -0.268993     -0.769024
  C      -6.890446     -0.014762      0.454713
  O      -6.157367      0.977210      0.536919
  C      -6.942083     -0.994789      1.579146
  C      -7.949207     -1.959051      1.757237
  C      -7.949517     -2.770068      2.891407
  C      -6.930103     -2.645521      3.832112
  F      -6.966365     -3.425372      4.919966
  C      -5.884971     -1.717000      3.669298
  C      -4.693057     -1.634498      4.549990
  O      -4.286125     -2.550619      5.252619
  N      -3.986536     -0.412124      4.437297
  C      -2.663198     -0.417819      4.594006
  C      -5.933515     -0.907774      2.536762
  C      -6.727657     12.387141      0.514958
  C      -6.953917     10.915625      0.772166
  O      -7.975158     10.353664      0.389590
  C      -5.896933     10.150425      1.510738
  C      -4.721765     10.751388      1.992385
  C      -3.770224      9.995467      2.670318
  C      -4.001740      8.639047      2.875898
  F      -3.031212      7.939918      3.508940
  C      -5.165153      7.996326      2.420267
  C      -5.478466      6.542071      2.601466
  O      -6.276362      5.981199      1.841827
  N      -4.881076      5.936165      3.701590
  C      -4.788451      4.633776      3.657133
  C      -6.090815      8.782480      1.725973
  C     -11.523587      1.645203      0.003876
  C     -10.665430      0.945639      1.028147
  O     -10.704582     -0.276666      1.161860
  C      -9.748250      1.769595      1.874498
  C      -9.542043      3.142848      1.646576
  C      -8.704758      3.881104      2.474608
  C      -8.062783      3.231316      3.522755
  F      -7.351720      3.983218      4.389914
  C      -8.189003      1.853649      3.752229
  C      -7.546029      1.140841      4.891098
  O      -8.146943      0.271554      5.515714
  N      -6.233149      1.512568      5.239103
  C      -5.887448      1.355629      6.526025
  C      -9.074597      1.148831      2.931129
  H      -8.777197     -0.430541     -0.505207
  H      -7.632379      0.572296     -1.463961
  H      -7.377257     -1.192641     -1.260377
  H      -8.767131     -2.054526      1.044267
  H      -8.741999     -3.497846      3.065857
  H      -2.062098     -1.324017      4.757021
  H      -5.129001     -0.200899      2.377438
  H      -6.611040     12.935003      1.462603
  H      -5.806016     12.546387     -0.065354
  H      -7.582325     12.791093     -0.037405
  H      -4.538761     11.814798      1.837328
  H      -2.844359     10.438815      3.037518
  H      -5.060135      4.096902      2.738104
  H      -6.996753      8.308264      1.346917
  H     -12.194372      0.917367     -0.464096
  H     -10.890514      2.104165     -0.772381
  H     -12.108982      2.456352      0.460712
  H     -10.046617      3.648816      0.823588
  H      -8.536432      4.947513      2.329257
  H      -6.605807      1.137518      7.326830
  H      -9.248529      0.090872      3.124307
  N      -3.902211      1.918059      2.463314
  H      -3.270300      1.180172      2.135042
  H      -3.513265      2.798846      2.111982
  H      -4.794917      1.769273      1.958066
90
Coordinates from ORCA-job orca E -6670.505083029238
  N      -2.188620      0.838137      4.513811
  Mo     -4.007169      1.859522      4.741675
  N      -4.589199      1.530690      6.682751
  C      -3.816990      1.800849      7.876006
  C      -2.393281      1.997966      7.373005
  N      -2.390691      2.813977      6.110426
  C      -1.065508      2.702922      5.428013
  C      -0.865818      1.283793      4.902402
  C      -2.712142      4.257014      6.379585
  C      -4.142507      4.560871      5.974119
  N      -4.375147      3.891026      4.692345
  H      -0.177186      1.310764      4.043221
  H      -0.428441      0.609863      5.655536
  H      -1.090762      3.409699      4.588421
  H      -0.257369      3.007337      6.112513
  H      -4.869551      4.196641      6.714737
  H      -4.285941      5.644369      5.858785
  H      -2.522600      4.489635      7.437006
  H      -2.036031      4.866994      5.767893
  H      -3.849629      0.965938      8.593551
  H      -4.198341      2.699357      8.388732
  H      -1.962397      1.018640      7.134126
  H      -1.750433      2.485537      8.121437
  C      -7.736119     -0.367274     -0.774984
  C      -6.911543     -0.079466      0.446292
  O      -6.189385      0.921432      0.513250
  C      -6.955115     -1.038601      1.589059
  C      -7.968959     -1.988460      1.799565
  C      -7.963819     -2.775082      2.950659
  C      -6.931979     -2.640232      3.876222
  F      -6.962731     -3.395431      4.981953
  C      -5.880480     -1.725398      3.682101
  C      -4.678776     -1.630457      4.548654
  O      -4.258616     -2.540046      5.251809
  N      -3.983782     -0.402915      4.422506
  C      -2.658686     -0.397655      4.562375
  C      -5.933483     -0.940977      2.531880
  C      -6.696028     12.416132      0.525563
  C      -6.929596     10.945520      0.781899
  O      -7.951497     10.387853      0.394997
  C      -5.879886     10.176667      1.526795
  C      -4.706534     10.774133      2.017738
  C      -3.762491     10.014916      2.702226
  C      -3.998693      8.658843      2.905030
  F      -3.034415      7.957647      3.545169
  C      -5.160187      8.019565      2.439983
  C      -5.479223      6.565991      2.616584
  O      -6.276899      6.010486      1.852345
  N      -4.886264      5.954347      3.715980
  C      -4.797084      4.651603      3.664241
  C      -6.078725      8.809084      1.739809
  C     -11.489912      1.639339     -0.026756
  C     -10.643988      0.942587      1.009374
  O     -10.687927     -0.278998      1.148550
  C      -9.732209      1.767888      1.860076
  C      -9.522629      3.140197      1.629791
  C      -8.691610      3.880141      2.462911
  C      -8.059175      3.232421      3.517913
  F      -7.355318      3.985144      4.390410
  C      -8.187421      1.855237      3.749208
  C      -7.550101      1.144672      4.892757
  O      -8.154172      0.278410      5.518571
  N      -6.237411      1.514943      5.240984
  C      -5.886374      1.348154      6.525811
  C      -9.067362      1.149138      2.923371
  H      -8.791969     -0.524234     -0.511880
  H      -7.644316      0.454966     -1.491967
  H      -7.387869     -1.304406     -1.237898
  H      -8.796004     -2.089016      1.097822
  H      -8.761473     -3.490442      3.150843
  H      -2.047291     -1.299141      4.712614
  H      -5.120792     -0.250083      2.343943
  H      -6.583919     12.963465      1.474072
  H      -5.769934     12.572292     -0.048378
  H      -7.545568     12.823180     -0.032382
  H      -4.519157     11.837076      1.864757
  H      -2.838275     10.455517      3.076923
  H      -5.068925      4.120889      2.741992
  H      -6.983185      8.337446      1.354098
  H     -12.158528      0.911465     -0.497724
  H     -10.847448      2.092238     -0.798935
  H     -12.077198      2.454808      0.419864
  H     -10.019061      3.644324      0.800745
  H      -8.521132      4.945995      2.315593
  H      -6.600681      1.122936      7.328203
  H      -9.243300      0.091781      3.118006
  N      -3.958105      1.923913      2.458162
  H      -3.323185      1.193757      2.118840
  H      -3.588440      2.808621      2.095950
  H      -4.858728      1.762700      1.971838
90
Coordinates from ORCA-job orca E -6670.505093890161
  N      -2.189745      0.833272      4.521015
  Mo     -4.006731      1.858097      4.746148
  N      -4.587940      1.528461      6.688713
  C      -3.816079      1.803964      7.881070
  C      -2.392459      1.999542      7.377670
  N      -2.389374      2.813008      6.113458
  C      -1.064731      2.698917      5.430455
  C      -0.866654      1.277995      4.909575
  C      -2.709038      4.256957      6.379522
  C      -4.139559      4.561329      5.975739
  N      -4.376153      3.888711      4.696138
  H      -0.177621      1.301376      4.050606
  H      -0.430653      0.605621      5.664861
  H      -1.090902      3.402831      4.588522
  H      -0.255462      3.005240      6.112750
  H      -4.865578      4.199349      6.718485
  H      -4.282005      5.644719      5.858546
  H      -2.517425      4.492115      7.436001
  H      -2.033256      4.864671      5.765109
  H      -3.849217      0.972319      8.602336
  H      -4.197419      2.704943      8.389404
  H      -1.962803      1.019060      7.141288
  H      -1.748848      2.488267      8.124691
  C      -7.734412     -0.337290     -0.776631
  C      -6.906995     -0.059221      0.445084
  O      -6.179713      0.937633      0.515813
  C      -6.952389     -1.024709      1.582284
  C      -7.965379     -1.977573      1.784002
  C      -7.961219     -2.772203      2.929299
  C      -6.931387     -2.641950      3.857828
  F      -6.963879     -3.406115      4.957485
  C      -5.881138     -1.723800      3.673280
  C      -4.682043     -1.632593      4.544014
  O      -4.264959     -2.544629      5.245795
  N      -3.985932     -0.405627      4.422379
  C      -2.661795     -0.401641      4.566452
  C      -5.933605     -0.930900      2.528482
  C      -6.694856     12.406680      0.511427
  C      -6.932287     10.937998      0.775375
  O      -7.957096     10.381748      0.394186
  C      -5.882265     10.169204      1.519799
  C      -4.706057     10.765620      2.005550
  C      -3.762350     10.006308      2.689986
  C      -4.000888      8.651263      2.897867
  F      -3.036093      7.950811      3.537824
  C      -5.165124      8.013004      2.438201
  C      -5.487656      6.560668      2.620181
  O      -6.291496      6.005794      1.861921
  N      -4.889535      5.950019      3.717287
  C      -4.803645      4.646816      3.667915
  C      -6.083644      8.802948      1.738069
  C     -11.487948      1.636561     -0.020796
  C     -10.640732      0.939541      1.014099
  O     -10.681610     -0.282400      1.150438
  C      -9.731950      1.765284      1.867779
  C      -9.527390      3.138955      1.641847
  C      -8.698724      3.879741      2.476787
  C      -8.064081      3.231002      3.529682
  F      -7.362005      3.983340      4.404365
  C      -8.187815      1.852701      3.757208
  C      -7.548979      1.142002      4.899872
  O      -8.152108      0.275071      5.525656
  N      -6.236344      1.512607      5.247024
  C      -5.884968      1.346634      6.532036
  C      -9.064870      1.145527      2.929132
  H      -8.788337     -0.503670     -0.511925
  H      -7.648720      0.493237     -1.484667
  H      -7.383065     -1.267726     -1.250916
  H      -8.789020     -2.074704      1.077843
  H      -8.757785     -3.490524      3.123087
  H      -2.051157     -1.303605      4.717129
  H      -5.122429     -0.235979      2.347595
  H      -6.576249     12.957989      1.456832
  H      -5.770796     12.556581     -0.067488
  H      -7.545455     12.814313     -0.044470
  H      -4.516376     11.827499      1.848184
  H      -2.835933     10.445418      3.061035
  H      -5.081848      4.113454      2.749101
  H      -6.990399      8.332534      1.356437
  H     -12.148236      0.906619     -0.500226
  H     -10.847144      2.102886     -0.786130
  H     -12.085107      2.442115      0.431005
  H     -10.026037      3.643826      0.814590
  H      -8.531907      4.946432      2.331774
  H      -6.600137      1.123570      7.334289
  H      -9.236182      0.086825      3.120900
  N      -3.950804      1.928679      2.463815
  H      -3.310184      1.203744      2.123933
  H      -3.587697      2.816676      2.103074
  H      -4.848825      1.761303      1.974690
90
Coordinates from ORCA-job orca E -6670.505103985352
  N      -2.194660      0.860121      4.494564
  Mo     -4.018427      1.870432      4.732833
  N      -4.593829      1.531863      6.676423
  C      -3.817550      1.801722      7.867347
  C      -2.396717      2.003181      7.358815
  N      -2.403972      2.827154      6.101837
  C      -1.081811      2.729417      5.412010
  C      -0.873728      1.313986      4.880428
  C      -2.734876      4.266009      6.381475
  C      -4.164859      4.565458      5.971934
  N      -4.392015      3.900092      4.686425
  H      -0.189032      1.349444      4.018459
  H      -0.428629      0.640265      5.629120
  H      -1.118196      3.438871      4.575088
  H      -0.271914      3.038308      6.092446
  H      -4.893080      4.195294      6.708553
  H      -4.311541      5.648906      5.861161
  H      -2.552340      4.490750      7.441781
  H      -2.058667      4.885150      5.779075
  H      -3.846974      0.966381      8.584375
  H      -4.198329      2.699799      8.381300
  H      -1.966906      1.025501      7.111736
  H      -1.749672      2.486875      8.106193
  C      -7.752610     -0.404063     -0.766576
  C      -6.929814     -0.102597      0.452752
  O      -6.212175      0.901792      0.512444
  C      -6.964072     -1.056459      1.600447
  C      -7.969124     -2.015079      1.817611
  C      -7.950957     -2.799639      2.969652
  C      -6.914623     -2.654554      3.888715
  F      -6.933410     -3.410504      4.994440
  C      -5.872331     -1.731035      3.688435
  C      -4.668294     -1.625436      4.550202
  O      -4.240655     -2.528221      5.257776
  N      -3.982364     -0.395110      4.411608
  C      -2.656980     -0.377801      4.548735
  C      -5.939684     -0.946752      2.538425
  C      -6.637030     12.460023      0.549105
  C      -6.892571     10.993900      0.810207
  O      -7.925500     10.451734      0.430586
  C      -5.848700     10.208940      1.546460
  C      -4.662669     10.788677      2.028470
  C      -3.725072     10.014897      2.704766
  C      -3.979550      8.661981      2.908095
  F      -3.019762      7.946645      3.539109
  C      -5.154214      8.040136      2.452269
  C      -5.492806      6.590943      2.630102
  O      -6.307170      6.047592      1.874830
  N      -4.897050      5.969357      3.721599
  C      -4.812841      4.666831      3.662080
  C      -6.066301      8.844555      1.760094
  C     -11.489465      1.589117     -0.036019
  C     -10.647401      0.902097      1.009703
  O     -10.693663     -0.317702      1.162211
  C      -9.736888      1.734964      1.854642
  C      -9.526242      3.104599      1.611642
  C      -8.696734      3.853391      2.438933
  C      -8.067861      3.215329      3.501797
  F      -7.367735      3.976168      4.370718
  C      -8.195461      1.840016      3.745241
  C      -7.557884      1.139491      4.894803
  O      -8.161047      0.276200      5.525701
  N      -6.244620      1.510985      5.238309
  C      -5.889830      1.343527      6.522507
  C      -9.073568      1.125686      2.924533
  H      -8.803410     -0.586638     -0.500637
  H      -7.681178      0.422684     -1.480783
  H      -7.384691     -1.331244     -1.234640
  H      -8.796916     -2.123671      1.117953
  H      -8.741073     -3.521699      3.175724
  H      -2.037994     -1.273474      4.703867
  H      -5.135521     -0.246565      2.345822
  H      -6.505645     13.007452      1.495080
  H      -5.714206     12.598516     -0.034728
  H      -7.485095     12.880564     -0.001046
  H      -4.460797     11.848777      1.874383
  H      -2.791150     10.440272      3.072948
  H      -5.086978      4.141750      2.737328
  H      -6.981134      8.387477      1.381454
  H     -12.150386      0.855436     -0.508834
  H     -10.845407      2.045418     -0.804506
  H     -12.086010      2.400937      0.405318
  H     -10.022260      3.600833      0.777592
  H      -8.525215      4.917642      2.281537
  H      -6.602671      1.113756      7.324903
  H      -9.248372      0.070013      3.129379
  N      -3.984802      1.934845      2.450541
  H      -3.343056      1.212108      2.107693
  H      -3.632333      2.822486      2.078788
  H      -4.886096      1.755805      1.972199
90
Coordinates from ORCA-job orca E -6670.505113387415
  N      -2.193720      0.853064      4.502463
  Mo     -4.016229      1.865951      4.737902
  N      -4.591794      1.528012      6.681739
  C      -3.815951      1.801164      7.872133
  C      -2.395053      2.002898      7.363876
  N      -2.401428      2.823627      6.104637
  C      -1.079139      2.723015      5.414820
  C      -0.872310      1.306165      4.886753
  C      -2.730173      4.263657      6.380528
  C      -4.160164      4.564010      5.972567
  N      -4.390701      3.895297      4.689350
  H      -0.187347      1.338304      4.024875
  H      -0.428224      0.634231      5.637667
  H      -1.114986      3.430610      4.576320
  H      -0.269100      3.032987      6.094591
  H      -4.887440      4.196919      6.711719
  H      -4.305455      5.647301      5.858766
  H      -2.545779      4.491039      7.439972
  H      -2.053741      4.880070      5.775563
  H      -3.844604      0.967722      8.591421
  H      -4.197692      2.700219      8.383757
  H      -1.964071      1.024950      7.119920
  H      -1.749327      2.488989      8.110852
  C      -7.739602     -0.394642     -0.773990
  C      -6.916997     -0.097609      0.446562
  O      -6.195623      0.904026      0.508027
  C      -6.958104     -1.050753      1.594566
  C      -7.969346     -2.003116      1.810973
  C      -7.957116     -2.787125      2.963487
  C      -6.921266     -2.647399      3.884062
  F      -6.946045     -3.402624      4.990077
  C      -5.873283     -1.730063      3.684444
  C      -4.670780     -1.628647      4.548732
  O      -4.246460     -2.533566      5.255652
  N      -3.982167     -0.399368      4.414080
  C      -2.657403     -0.384320      4.552432
  C      -5.933772     -0.947645      2.533163
  C      -6.656414     12.444281      0.541619
  C      -6.908502     10.978087      0.805289
  O      -7.941127     10.433317      0.428407
  C      -5.861057     10.195646      1.539240
  C      -4.674870     10.777884      2.017483
  C      -3.733838     10.006508      2.691900
  C      -3.985552      8.653342      2.896879
  F      -3.023279      7.939372      3.525623
  C      -5.160345      8.029067      2.444720
  C      -5.495398      6.579547      2.625188
  O      -6.308008      6.032662      1.870800
  N      -4.898251      5.961798      3.718456
  C      -4.813652      4.659118      3.663545
  C      -6.075796      8.831009      1.754253
  C     -11.478599      1.614528     -0.038184
  C     -10.639459      0.922284      1.006400
  O     -10.685020     -0.298496      1.151521
  C      -9.732817      1.750791      1.859717
  C      -9.526764      3.123182      1.629119
  C      -8.700707      3.867545      2.463824
  C      -8.069639      3.222032      3.520811
  F      -7.371103      3.977241      4.396034
  C      -8.193508      1.844388      3.752561
  C      -7.555271      1.137363      4.897771
  O      -8.157885      0.270578      5.524233
  N      -6.241868      1.507757      5.242802
  C      -5.887969      1.340495      6.527230
  C      -9.068941      1.134436      2.925371
  H      -8.794336     -0.558037     -0.510656
  H      -7.653377      0.427191     -1.492371
  H      -7.384898     -1.329754     -1.236020
  H      -8.797872     -2.106150      1.111383
  H      -8.751828     -3.504224      3.169222
  H      -2.041096     -1.282292      4.705076
  H      -5.124129     -0.254615      2.338863
  H      -6.523606     12.993325      1.486462
  H      -5.735229     12.583378     -0.044688
  H      -7.506615     12.862535     -0.006965
  H      -4.475506     11.838283      1.862114
  H      -2.799684     10.433784      3.057226
  H      -5.090779      4.131265      2.741151
  H      -6.990906      8.372165      1.378291
  H     -12.134194      0.882041     -0.520149
  H     -10.832807      2.080169     -0.799526
  H     -12.080941      2.419924      0.407149
  H     -10.024396      3.625338      0.799596
  H      -8.534344      4.934105      2.316943
  H      -6.601570      1.110798      7.328970
  H      -9.241814      0.076835      3.121405
  N      -3.978159      1.932043      2.455169
  H      -3.335647      1.209829      2.112483
  H      -3.626166      2.820062      2.084052
  H      -4.878915      1.751977      1.975619
90
Coordinates from ORCA-job orca E -6670.505117122163
  N      -2.195462      0.863883      4.491211
  Mo     -4.021308      1.868397      4.736889
  N      -4.590209      1.523332      6.681238
  C      -3.811371      1.793497      7.870322
  C      -2.392623      2.001907      7.358438
  N      -2.406361      2.827373      6.102446
  C      -1.086320      2.735560      5.406951
  C      -0.874763      1.321981      4.872072
  C      -2.739987      4.265049      6.385385
  C      -4.170950      4.562431      5.978226
  N      -4.399111      3.897406      4.692594
  H      -0.193113      1.361134      4.007864
  H      -0.424711      0.649080      5.618574
  H      -1.128717      3.446525      4.571649
  H      -0.275203      3.046467      6.085023
  H      -4.897105      4.190341      6.715973
  H      -4.319775      5.645632      5.868093
  H      -2.557221      4.487387      7.446166
  H      -2.065142      4.886950      5.784333
  H      -3.835042      0.956765      8.586005
  H      -4.194570      2.688906      8.387266
  H      -1.958519      1.026552      7.109482
  H      -1.746689      2.487606      8.105508
  C      -7.747466     -0.422784     -0.775941
  C      -6.925752     -0.116332      0.442816
  O      -6.210611      0.890031      0.500593
  C      -6.961043     -1.064872      1.594742
  C      -7.972145     -2.014909      1.820112
  C      -7.955689     -2.793174      2.976506
  C      -6.915942     -2.649802      3.892135
  F      -6.936488     -3.399269      5.002196
  C      -5.867994     -1.734297      3.683600
  C      -4.662332     -1.628347      4.543235
  O      -4.233050     -2.531506      5.249442
  N      -3.978591     -0.396281      4.407810
  C      -2.653717     -0.375833      4.541484
  C      -5.931904     -0.958559      2.528000
  C      -6.635827     12.451171      0.532876
  C      -6.891805     10.985455      0.795414
  O      -7.922321     10.441865      0.411205
  C      -5.851827     10.202343      1.539363
  C      -4.668092     10.782957      2.025438
  C      -3.733316     10.010641      2.707547
  C      -3.989044      8.658187      2.912173
  F      -3.032760      7.943263      3.548975
  C      -5.162109      8.035683      2.452917
  C      -5.501126      6.586853      2.632472
  O      -6.313854      6.042005      1.876754
  N      -4.905702      5.966341      3.725129
  C      -4.820947      4.663849      3.668125
  C      -6.071077      8.838570      1.755164
  C     -11.470007      1.617470     -0.042686
  C     -10.630436      0.924130      1.000813
  O     -10.673231     -0.297188      1.142316
  C      -9.728122      1.752558      1.858841
  C      -9.524272      3.126099      1.632850
  C      -8.701311      3.869346      2.471486
  C      -8.071085      3.221962      3.527933
  F      -7.374705      3.976061      4.405752
  C      -8.193445      1.843579      3.755731
  C      -7.555209      1.133744      4.899245
  O      -8.157764      0.266144      5.524607
  N      -6.242839      1.505532      5.245857
  C      -5.886440      1.333829      6.528937
  C      -9.065722      1.134584      2.924464
  H      -8.801196     -0.591619     -0.512123
  H      -7.666468      0.396805     -1.497488
  H      -7.386583     -1.357321     -1.234364
  H      -8.804332     -2.119916      1.125125
  H      -8.750088     -3.508542      3.189330
  H      -2.031927     -1.270721      4.689851
  H      -5.121497     -0.269009      2.324501
  H      -6.510778     13.000842      1.478412
  H      -5.709412     12.588958     -0.045419
  H      -7.480724     12.869839     -0.023530
  H      -4.465559     11.842788      1.870170
  H      -2.801014     10.436656      3.079015
  H      -5.096562      4.138217      2.743926
  H      -6.984249      8.380895      1.373236
  H     -12.122184      0.884480     -0.528523
  H     -10.824923      2.088502     -0.801312
  H     -12.075936      2.418949      0.404888
  H     -10.020335      3.629658      0.803231
  H      -8.536588      4.936680      2.328172
  H      -6.597851      1.099085      7.331189
  H      -9.236633      0.075984      3.116593
  N      -3.998906      1.933077      2.454639
  H      -3.354177      1.214480      2.108700
  H      -3.655520      2.822685      2.079208
  H      -4.902009      1.746373      1.982305
90
Coordinates from ORCA-job orca E -6670.505120779971
  N      -2.194750      0.864602      4.492887
  Mo     -4.021369      1.868420      4.737056
  N      -4.590712      1.522188      6.681452
  C      -3.813042      1.793962      7.870894
  C      -2.394102      2.003355      7.360012
  N      -2.407431      2.828254      6.103624
  C      -1.086876      2.736633      5.409204
  C      -0.874574      1.322843      4.875352
  C      -2.741875      4.265805      6.385825
  C      -4.172965      4.562049      5.978664
  N      -4.400876      3.896807      4.693062
  H      -0.191728      1.361379      4.012070
  H      -0.425585      0.650387      5.622908
  H      -1.128832      3.447155      4.573494
  H      -0.276449      3.048239      6.087787
  H      -4.898799      4.189566      6.716505
  H      -4.322516      5.645144      5.868294
  H      -2.559508      4.488745      7.446567
  H      -2.067277      4.887917      5.784704
  H      -3.836388      0.957819      8.587276
  H      -4.197433      2.689415      8.386869
  H      -1.958911      1.028284      7.111906
  H      -1.749257      2.489957      8.107428
  C      -7.747229     -0.412222     -0.774752
  C      -6.923921     -0.109744      0.443892
  O      -6.208185      0.896133      0.503342
  C      -6.958796     -1.061091      1.593476
  C      -7.968531     -2.013413      1.815831
  C      -7.951513     -2.794387      2.970386
  C      -6.912695     -2.651587      3.887201
  F      -6.933119     -3.403520      4.995496
  C      -5.866123     -1.733847      3.681588
  C      -4.661277     -1.628081      4.542353
  O      -4.232469     -2.531176      5.248945
  N      -3.977202     -0.396306      4.406704
  C      -2.652593     -0.375191      4.542735
  C      -5.930761     -0.955260      2.527999
  C      -6.632797     12.451056      0.532413
  C      -6.890482     10.985864      0.796067
  O      -7.922685     10.443739      0.414324
  C      -5.849952     10.201284      1.537776
  C      -4.663485     10.779821      2.019557
  C      -3.728146     10.006164      2.699426
  C      -3.986276      8.654526      2.906302
  F      -3.029305      7.937983      3.540330
  C      -5.162189      8.034125      2.451437
  C      -5.503777      6.586248      2.633472
  O      -6.319827      6.042203      1.880833
  N      -4.907494      5.965605      3.725459
  C      -4.822788      4.663274      3.668588
  C      -6.071509      8.838200      1.755559
  C     -11.474547      1.614643     -0.039539
  C     -10.634988      0.921295      1.003993
  O     -10.678278     -0.299941      1.145945
  C      -9.731693      1.749646      1.861074
  C      -9.529068      3.123456      1.635686
  C      -8.705781      3.866834      2.473844
  C      -8.073700      3.219305      3.529112
  F      -7.377294      3.973604      4.406693
  C      -8.194590      1.840625      3.756040
  C      -7.555003      1.130548      4.898669
  O      -8.156039      0.261017      5.522836
  N      -6.242780      1.503119      5.245137
  C      -5.886666      1.331695      6.528370
  C      -9.067355      1.131470      2.925407
  H      -8.800813     -0.580391     -0.510026
  H      -7.666361      0.409517     -1.493894
  H      -7.387709     -1.345527     -1.236672
  H      -8.800001     -2.118577      1.120022
  H      -8.744768     -3.511765      3.180724
  H      -2.031143     -1.269916      4.693611
  H      -5.121860     -0.263044      2.327418
  H      -6.503358     13.000885      1.477249
  H      -5.708194     12.586882     -0.049267
  H      -7.478831     12.871069     -0.021255
  H      -4.459283     11.839090      1.862642
  H      -2.793673     10.430402      3.067443
  H      -5.098756      4.137840      2.744322
  H      -6.986850      8.382089      1.376907
  H     -12.126139      0.881429     -0.525830
  H     -10.829779      2.086724     -0.797736
  H     -12.081199      2.415314      0.408534
  H     -10.026679      3.627184      0.807092
  H      -8.541966      4.934357      2.331075
  H      -6.598494      1.096349      7.330091
  H      -9.237387      0.072635      3.117109
  N      -3.994151      1.934988      2.454707
  H      -3.349002      1.216154      2.109999
  H      -3.649949      2.824324      2.079315
  H      -4.896331      1.748432      1.980445
90
Coordinates from ORCA-job orca E -6670.505123748771
  N      -2.195267      0.872037      4.487957
  Mo     -4.024659      1.870321      4.735934
  N      -4.591064      1.518577      6.680519
  C      -3.813086      1.790586      7.869683
  C      -2.395112      2.004755      7.357948
  N      -2.412102      2.831873      6.103186
  C      -1.092126      2.745587      5.406931
  C      -0.876101      1.333424      4.870276
  C      -2.750479      4.267990      6.388377
  C      -4.182166      4.561273      5.980920
  N      -4.408090      3.897715      4.694121
  H      -0.194075      1.375479      4.006531
  H      -0.424553      0.660953      5.616296
  H      -1.137589      3.457520      4.572619
  H      -0.281846      3.058626      6.085028
  H      -4.907277      4.185626      6.717840
  H      -4.334443      5.644181      5.872222
  H      -2.569693      4.488938      7.449802
  H      -2.076986      4.893353      5.789416
  H      -3.833520      0.953332      8.584863
  H      -4.199482      2.684167      8.387411
  H      -1.957268      1.031360      7.107788
  H      -1.751107      2.491906      8.105727
  C      -7.748654     -0.418634     -0.774692
  C      -6.925365     -0.114013      0.443429
  O      -6.211542      0.893261      0.502103
  C      -6.957550     -1.064866      1.593432
  C      -7.966463     -2.017441      1.818224
  C      -7.947345     -2.797205      2.973545
  C      -6.907337     -2.652986      3.888795
  F      -6.925965     -3.403425      4.998090
  C      -5.861553     -1.734936      3.680734
  C      -4.655654     -1.626854      4.539773
  O      -4.224424     -2.528628      5.246565
  N      -3.974030     -0.394162      4.401477
  C      -2.649401     -0.369135      4.536951
  C      -5.928336     -0.957389      2.526522
  C      -6.617794     12.457553      0.533440
  C      -6.880846     10.993557      0.798319
  O      -7.915864     10.455357      0.418721
  C      -5.842065     10.205180      1.538512
  C      -4.651840     10.778942      2.016659
  C      -3.718236     10.001888      2.695131
  C      -3.981967      8.651736      2.904353
  F      -3.026556      7.931612      3.536799
  C      -5.161792      8.036099      2.453184
  C      -5.509302      6.590032      2.637661
  O      -6.329865      6.048753      1.887915
  N      -4.913260      5.967678      3.728660
  C      -4.829181      4.665518      3.670375
  C      -6.069224      8.843322      1.758511
  C     -11.474435      1.609498     -0.040351
  C     -10.636789      0.916479      1.004927
  O     -10.680987     -0.304614      1.147720
  C      -9.734128      1.745009      1.862484
  C      -9.533231      3.119313      1.638494
  C      -8.711124      3.862884      2.477621
  C      -8.078135      3.215145      3.532219
  F      -7.383124      3.969539      4.410797
  C      -8.196940      1.835988      3.757397
  C      -7.556332      1.125461      4.899227
  O      -8.155901      0.254033      5.522166
  N      -6.244312      1.498884      5.245313
  C      -5.886758      1.325712      6.528016
  C      -9.068835      1.126584      2.926066
  H      -8.802279     -0.585553     -0.509164
  H      -7.667855      0.401960     -1.495149
  H      -7.389682     -1.352837     -1.235148
  H      -8.798699     -2.124194      1.123568
  H      -8.739877     -3.514839      3.185728
  H      -2.025359     -1.262003      4.688183
  H      -5.120141     -0.264712      2.323960
  H      -6.482965     13.007271      1.477569
  H      -5.694514     12.589225     -0.051303
  H      -7.463739     12.880886     -0.017829
  H      -4.443347     11.837108      1.857945
  H      -2.780911     10.422323      3.060256
  H      -5.105029      4.141505      2.745279
  H      -6.987587      8.390889      1.382759
  H     -12.123609      0.875726     -0.529029
  H     -10.828729      2.083838     -0.796280
  H     -12.083741      2.408439      0.407293
  H     -10.031434      3.623274      0.810399
  H      -8.548597      4.930750      2.335983
  H      -6.597664      1.087494      7.329711
  H      -9.237579      0.067305      3.116605
  N      -3.999602      1.938856      2.453810
  H      -3.352774      1.221723      2.108727
  H      -3.658823      2.828773      2.076618
  H      -4.901773      1.749570      1.980704
90
Coordinates from ORCA-job orca E -6670.505125004055
  N      -2.195454      0.875223      4.487013
  Mo     -4.026346      1.870753      4.736474
  N      -4.590610      1.515790      6.681136
  C      -3.812670      1.788730      7.870079
  C      -2.395287      2.006173      7.357946
  N      -2.414247      2.833816      6.103604
  C      -1.094525      2.749770      5.406568
  C      -0.876799      1.338093      4.869323
  C      -2.754701      4.269313      6.389514
  C      -4.187163      4.560305      5.982914
  N      -4.412530      3.897303      4.695761
  H      -0.194985      1.381321      4.005467
  H      -0.424198      0.665931      5.614994
  H      -1.141642      3.461949      4.572559
  H      -0.284315      3.063783      6.084292
  H      -4.911136      4.182641      6.719908
  H      -4.341549      5.643003      5.875077
  H      -2.573795      4.490164      7.450940
  H      -2.082575      4.896041      5.790450
  H      -3.830953      0.950994      8.584772
  H      -4.200676      2.681118      8.388652
  H      -1.955359      1.033840      7.107297
  H      -1.752201      2.494363      8.105839
  C      -7.749802     -0.415676     -0.775252
  C      -6.926346     -0.111498      0.442902
  O      -6.213943      0.896752      0.502523
  C      -6.956598     -1.063924      1.591564
  C      -7.964050     -2.018200      1.815376
  C      -7.943726     -2.799167      2.969867
  C      -6.903908     -2.654510      3.885217
  F      -6.921306     -3.406078      4.993721
  C      -5.859281     -1.734933      3.677933
  C      -4.653257     -1.626305      4.536797
  O      -4.221575     -2.527963      5.243460
  N      -3.972267     -0.393276      4.398657
  C      -2.647779     -0.366681      4.534802
  C      -5.927370     -0.956064      2.524682
  C      -6.609465     12.457896      0.528965
  C      -6.874995     10.994449      0.794400
  O      -7.910490     10.457637      0.414201
  C      -5.838157     10.204906      1.536087
  C      -4.646855     10.776768      2.013800
  C      -3.714988      9.998598      2.693437
  C      -3.981588      8.649301      2.904310
  F      -3.027858      7.927976      3.538024
  C      -5.162617      8.035585      2.453728
  C      -5.513180      6.590489      2.639989
  O      -6.335843      6.050283      1.891738
  N      -4.917175      5.967526      3.730586
  C      -4.833349      4.665387      3.672043
  C      -6.068261      8.843797      1.757871
  C     -11.475452      1.608280     -0.037851
  C     -10.637387      0.914797      1.006799
  O     -10.680880     -0.306454      1.148438
  C      -9.735533      1.743158      1.865358
  C      -9.536521      3.118133      1.643531
  C      -8.715160      3.861304      2.483683
  C      -8.080870      3.212765      3.537029
  F      -7.386220      3.966699      4.416259
  C      -8.197934      1.833110      3.760022
  C      -7.556288      1.121517      4.900623
  O      -8.154947      0.249035      5.522927
  N      -6.244544      1.495794      5.246743
  C      -5.886241      1.321856      6.529113
  C      -9.069213      1.123972      2.927802
  H      -8.803116     -0.584026     -0.509345
  H      -7.670356      0.405923     -1.494710
  H      -7.390005     -1.348898     -1.237034
  H      -8.796186     -2.125756      1.120711
  H      -8.735253     -3.518133      3.181320
  H      -2.022484     -1.258610      4.686339
  H      -5.120479     -0.261616      2.323070
  H      -6.473730     13.007867      1.472808
  H      -5.685974     12.587795     -0.055855
  H      -7.454630     12.882353     -0.022640
  H      -4.436085     11.834284      1.853755
  H      -2.776860     10.417604      3.058149
  H      -5.109292      4.141624      2.746844
  H      -6.987479      8.392799      1.382530
  H     -12.122534      0.874166     -0.528779
  H     -10.830280      2.086069     -0.792030
  H     -12.087105      2.404657      0.411223
  H     -10.035511      3.622789      0.816346
  H      -8.553839      4.929556      2.343577
  H      -6.596518      1.082281      7.330973
  H      -9.236630      0.064160      3.116578
  N      -4.000337      1.941224      2.454271
  H      -3.352908      1.224437      2.109625
  H      -3.660036      2.831276      2.076915
  H      -4.902276      1.751799      1.980746
90
Coordinates from ORCA-job orca E -6670.505125868373
  N      -2.195911      0.878456      4.484369
  Mo     -4.028071      1.871358      4.736432
  N      -4.590058      1.513234      6.681088
  C      -3.811672      1.786109      7.869758
  C      -2.394966      2.006311      7.356847
  N      -2.415990      2.835130      6.103388
  C      -1.096731      2.753502      5.405129
  C      -0.877590      1.342650      4.866267
  C      -2.758115      4.269944      6.390806
  C      -4.191117      4.559464      5.984832
  N      -4.415875      3.897494      4.697097
  H      -0.196530      1.387770      4.001904
  H      -0.423456      0.670290      5.610818
  H      -1.145668      3.466439      4.571877
  H      -0.286294      3.067922      6.082384
  H      -4.914268      4.179789      6.721606
  H      -4.347061      5.642057      5.878339
  H      -2.577093      4.490035      7.452360
  H      -2.087070      4.898083      5.792007
  H      -3.828103      0.947511      8.583488
  H      -4.200650      2.677296      8.389667
  H      -1.953722      1.034882      7.105003
  H      -1.752134      2.494742      8.104807
  C      -7.750474     -0.420972     -0.776637
  C      -6.927678     -0.114436      0.441409
  O      -6.216602      0.894777      0.500327
  C      -6.956794     -1.065903      1.590871
  C      -7.964108     -2.019853      1.816350
  C      -7.943005     -2.799787      2.971547
  C      -6.902450     -2.654416      3.885892
  F      -6.919020     -3.404841      4.995206
  C      -5.857862     -1.735158      3.676943
  C      -4.651253     -1.625468      4.534916
  O      -4.218731     -2.526581      5.241760
  N      -3.971106     -0.392124      4.395757
  C      -2.646582     -0.364121      4.531346
  C      -5.926731     -0.957302      2.522999
  C      -6.603918     12.459022      0.526704
  C      -6.870790     10.995836      0.792307
  O      -7.906267     10.459664      0.411182
  C      -5.835350     10.205792      1.535367
  C      -4.643876     10.776797      2.013722
  C      -3.713351      9.998154      2.694638
  C      -3.981394      8.649258      2.906188
  F      -3.028885      7.927457      3.541203
  C      -5.162634      8.036401      2.455020
  C      -5.514817      6.591767      2.641900
  O      -6.338118      6.052239      1.893799
  N      -4.919367      5.968358      3.732546
  C      -4.836095      4.666135      3.673506
  C      -6.066959      8.845054      1.757911
  C     -11.473528      1.608714     -0.038272
  C     -10.636201      0.914879      1.006734
  O     -10.679642     -0.306462      1.147710
  C      -9.735218      1.742932      1.866471
  C      -9.536926      3.118264      1.646032
  C      -8.716404      3.861036      2.487358
  C      -8.082174      3.211863      3.540334
  F      -7.388278      3.965270      4.420619
  C      -8.198510      1.831914      3.761884
  C      -7.556775      1.119650      4.902020
  O      -8.155293      0.246947      5.524094
  N      -6.244974      1.493869      5.247944
  C      -5.885734      1.318751      6.529907
  C      -9.069055      1.123125      2.928613
  H      -8.803893     -0.588996     -0.510805
  H      -7.670852      0.399247     -1.497629
  H      -7.390608     -1.355209     -1.236304
  H      -8.796806     -2.128009      1.122444
  H      -8.734550     -3.518333      3.184348
  H      -2.020103     -1.255321      4.682237
  H      -5.119835     -0.263267      2.320081
  H      -6.468364     13.009072      1.470526
  H      -5.679959     12.588136     -0.057560
  H      -7.448373     12.884013     -0.025578
  H      -4.431830     11.833968      1.853092
  H      -2.775137     10.416616      3.059758
  H      -5.112101      4.142748      2.748156
  H      -6.986303      8.394701      1.382125
  H     -12.119295      0.874588     -0.530899
  H     -10.827799      2.088065     -0.790979
  H     -12.086600      2.403943      0.410927
  H     -10.035807      3.623477      0.819134
  H      -8.555658      4.929528      2.348302
  H      -6.595219      1.078227      7.332179
  H      -9.236069      0.063047      3.116252
  N      -4.003933      1.942963      2.454251
  H      -3.356204      1.226553      2.109444
  H      -3.664401      2.833210      2.076653
  H      -4.906072      1.753149      1.981312
90
Coordinates from ORCA-job orca E -6670.505126686397
  N      -2.196215      0.878629      4.484351
  Mo     -4.028550      1.871317      4.736838
  N      -4.589617      1.512550      6.681490
  C      -3.811077      1.785875      7.869987
  C      -2.394604      2.006782      7.356739
  N      -2.416034      2.835490      6.103226
  C      -1.096900      2.753807      5.404700
  C      -0.877833      1.342876      4.865943
  C      -2.758313      4.270282      6.390363
  C      -4.191684      4.559282      5.985162
  N      -4.416687      3.897315      4.697483
  H      -0.197004      1.388009      4.001387
  H      -0.423436      0.670586      5.610394
  H      -1.146038      3.466616      4.571348
  H      -0.286279      3.068294      6.081700
  H      -4.914250      4.179039      6.722220
  H      -4.348154      5.641820      5.879037
  H      -2.576456      4.490915      7.451663
  H      -2.087991      4.898309      5.790626
  H      -3.826858      0.947223      8.583666
  H      -4.200375      2.676857      8.390008
  H      -1.953081      1.035486      7.104874
  H      -1.751776      2.495450      8.104551
  C      -7.750810     -0.421251     -0.777404
  C      -6.928258     -0.114193      0.440699
  O      -6.217464      0.895203      0.499571
  C      -6.957370     -1.065485      1.590332
  C      -7.964464     -2.019696      1.815685
  C      -7.943339     -2.799680      2.970861
  C      -6.902876     -2.654093      3.885247
  F      -6.919303     -3.404654      4.994496
  C      -5.858440     -1.734622      3.676405
  C      -4.651926     -1.624900      4.534518
  O      -4.219850     -2.525881      5.241824
  N      -3.971376     -0.391803      4.395195
  C      -2.646856     -0.363975      4.530923
  C      -5.927381     -0.956711      2.522485
  C      -6.603720     12.458645      0.526182
  C      -6.870423     10.995377      0.791523
  O      -7.905623     10.459044      0.409852
  C      -5.835199     10.205481      1.535004
  C      -4.644037     10.776652      2.013959
  C      -3.713750      9.998141      2.695320
  C      -3.981653      8.649181      2.906692
  F      -3.029414      7.927543      3.542260
  C      -5.162565      8.036149      2.454922
  C      -5.514656      6.591474      2.641698
  O      -6.337582      6.051859      1.893232
  N      -4.919406      5.968191      3.732580
  C      -4.836601      4.665871      3.673687
  C      -6.066691      8.844708      1.757400
  C     -11.472018      1.608719     -0.038456
  C     -10.635032      0.914886      1.006815
  O     -10.678351     -0.306495      1.147596
  C      -9.734585      1.742906      1.867128
  C      -9.536323      3.118273      1.646884
  C      -8.716073      3.860987      2.488547
  C      -8.082133      3.211710      3.541611
  F      -7.388326      3.964947      4.422139
  C      -8.198553      1.831758      3.763058
  C      -7.556986      1.119527      4.903300
  O      -8.155791      0.247388      5.525835
  N      -6.244987      1.493439      5.248946
  C      -5.885420      1.318279      6.530816
  C      -9.068827      1.123019      2.929477
  H      -8.804366     -0.588841     -0.511762
  H      -7.670699      0.398390     -1.498987
  H      -7.391330     -1.356065     -1.236200
  H      -8.797142     -2.127931      1.121766
  H      -8.734830     -3.518305      3.183567
  H      -2.020493     -1.255279      4.681653
  H      -5.120581     -0.262528      2.319850
  H      -6.468659     13.008569      1.470150
  H      -5.679553     12.588021     -0.057690
  H      -7.448031     12.883559     -0.026379
  H      -4.432008     11.833849      1.853461
  H      -2.775827     10.416856      3.060896
  H      -5.112783      4.142275      2.748540
  H      -6.985795      8.394241      1.381169
  H     -12.117402      0.874585     -0.531562
  H     -10.825874      2.088265     -0.790690
  H     -12.085484      2.403787      0.410490
  H     -10.035001      3.623578      0.819927
  H      -8.555423      4.929512      2.349611
  H      -6.594566      1.078018      7.333457
  H      -9.235944      0.062936      3.116974
  N      -4.004301      1.943216      2.454452
  H      -3.357220      1.226043      2.110032
  H      -3.663428      2.833152      2.077370
  H      -4.906457      1.754450      1.981177
