90
Coordinates from ORCA-job orca E -6670.559566827767
  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      -2.258439      1.273168      2.609229
  H      -1.333422      2.400992      3.331331
  H      -2.459505      2.846429      2.243858
90
Coordinates from ORCA-job orca E -6670.582428551353
  N      -3.525482      0.264732      4.812671
  Mo     -3.682138      2.366041      4.668711
  N      -5.025372      2.524906      6.308583
  C      -4.363499      2.968197      7.523556
  C      -3.057995      2.195314      7.728246
  N      -2.252391      2.043094      6.476774
  C      -1.727538      0.663855      6.373087
  C      -2.858947     -0.282726      5.984302
  C      -1.155684      3.040958      6.430682
  C      -1.750738      4.422617      6.106401
  N      -2.842021      4.100895      5.236906
  H      -2.445253     -1.282183      5.782211
  H      -3.587132     -0.384931      6.805425
  H      -0.972966      0.644135      5.575911
  H      -1.256627      0.339262      7.314876
  H      -2.097942      4.950676      7.008367
  H      -1.010410      5.064223      5.606101
  H      -0.593731      3.055786      7.376205
  H      -0.474195      2.755246      5.619762
  H      -4.999885      2.819958      8.411085
  H      -4.166549      4.051056      7.448511
  H      -3.315493      1.198483      8.102241
  H      -2.461966      2.696537      8.504511
  C      -4.243832      4.774009     -1.387529
  C      -4.327066      3.816357     -0.235009
  O      -4.003954      4.143227      0.909593
  C      -4.817203      2.432178     -0.490055
  C      -5.601909      2.049456     -1.588120
  C      -6.077077      0.746796     -1.670782
  C      -5.787877     -0.167203     -0.657317
  F      -6.324408     -1.396317     -0.751116
  C      -5.005202      0.178397      0.450336
  C      -4.703450     -0.746846      1.611756
  O      -4.828485     -1.970813      1.555147
  N      -4.362792     -0.020110      2.727691
  C      -3.819172     -0.541119      3.807117
  C      -4.517113      1.484078      0.486132
  C      -7.666612     10.134640     -0.563577
  C      -7.194572      8.806875     -0.034014
  O      -7.366300      7.761874     -0.647178
  C      -6.488172      8.801880      1.290849
  C      -6.054125      9.966407      1.938441
  C      -5.390117      9.885994      3.155919
  C      -5.142450      8.642012      3.723671
  F      -4.522240      8.614263      4.920076
  C      -5.560758      7.452925      3.106424
  C      -5.309970      6.083153      3.632289
  O      -6.097255      5.157894      3.392369
  N      -4.127490      5.931237      4.335697
  C      -3.773051      4.702246      4.576295
  C      -6.244898      7.565948      1.894790
  C     -13.761834     -0.820898      4.079677
  C     -12.723569     -0.155468      4.945386
  O     -12.936492      0.134201      6.113410
  C     -11.392381      0.145893      4.314864
  C     -10.991055     -0.385640      3.082284
  C      -9.741866     -0.069626      2.564264
  C      -8.895016      0.765276      3.281326
  F      -7.701097      1.069328      2.709542
  C      -9.248984      1.315441      4.515300
  C      -8.398659      2.215561      5.366759
  O      -8.943589      3.070743      6.078842
  N      -7.049237      1.997682      5.300747
  C      -6.336732      2.442703      6.323416
  C     -10.517610      0.990552      5.003867
  H      -5.258496      5.091084     -1.665078
  H      -3.674405      5.660769     -1.096380
  H      -3.788149      4.291780     -2.258930
  H      -5.856031      2.761682     -2.369266
  H      -6.690955      0.423733     -2.508344
  H      -3.588067     -1.619921      3.878732
  H      -3.882073      1.761319      1.310147
  H      -8.279957     10.649551      0.184234
  H      -6.801417     10.769383     -0.792137
  H      -8.245984      9.978252     -1.477337
  H      -6.227831     10.944631      1.497586
  H      -5.057019     10.780082      3.677793
  H      -4.458327      3.885428      4.097493
  H      -6.585949      6.654482      1.407093
  H     -14.711414     -0.865024      4.619871
  H     -13.441169     -1.842201      3.838891
  H     -13.889671     -0.272143      3.140284
  H     -11.642661     -1.047891      2.518220
  H      -9.406835     -0.459915      1.605908
  H      -6.875410      2.717944      7.249692
  H     -10.827981      1.415256      5.955982
  N      -2.232036      2.230356      3.066609
  H      -2.201460      1.295490      2.645724
  H      -1.275540      2.434373      3.370072
  H      -2.428382      2.883267      2.296310
90
Coordinates from ORCA-job orca E -6670.595366223787
  N      -3.507376      0.232236      4.905050
  Mo     -3.670273      2.317020      4.735010
  N      -4.978217      2.502654      6.399372
  C      -4.300400      2.959788      7.604899
  C      -3.000857      2.184207      7.788831
  N      -2.218705      2.017880      6.509257
  C      -1.689917      0.628847      6.412032
  C      -2.823487     -0.320082      6.064401
  C      -1.117786      3.016926      6.418001
  C      -1.710451      4.392877      6.084436
  N      -2.821390      4.069562      5.241126
  H      -2.418482     -1.324640      5.859784
  H      -3.531624     -0.413699      6.905563
  H      -0.951114      0.608195      5.598125
  H      -1.192641      0.325194      7.350259
  H      -2.038389      4.938452      6.985452
  H      -0.975604      5.023097      5.558441
  H      -0.533758      3.039878      7.352210
  H      -0.456309      2.706687      5.597672
  H      -4.921722      2.821733      8.506638
  H      -4.094275      4.041912      7.522095
  H      -3.246355      1.185353      8.171134
  H      -2.376652      2.685353      8.546236
  C      -4.233738      4.759294     -1.482072
  C      -4.284721      3.845053     -0.283683
  O      -3.857050      4.208247      0.816327
  C      -4.866395      2.476639     -0.453358
  C      -5.716863      2.099582     -1.507832
  C      -6.264293      0.818199     -1.531458
  C      -5.975138     -0.082111     -0.502562
  F      -6.573239     -1.288100     -0.548337
  C      -5.131809      0.253649      0.569421
  C      -4.828117     -0.657718      1.740384
  O      -4.990556     -1.884417      1.691867
  N      -4.404887      0.059120      2.841534
  C      -3.848994     -0.538770      3.879125
  C      -4.586952      1.539339      0.543630
  C      -7.708591     10.064103     -0.622091
  C      -7.221089      8.739994     -0.075467
  O      -7.385297      7.691569     -0.696249
  C      -6.520862      8.744187      1.251849
  C      -6.104563      9.924898      1.891341
  C      -5.438171      9.866340      3.112818
  C      -5.173964      8.626324      3.691257
  F      -4.551108      8.624159      4.887804
  C      -5.574054      7.420435      3.086526
  C      -5.309289      6.046692      3.617921
  O      -6.096061      5.125614      3.367805
  N      -4.119729      5.907600      4.331236
  C      -3.769881      4.675885      4.585990
  C      -6.260373      7.514572      1.870745
  C     -13.663377     -0.869982      3.876709
  C     -12.640193     -0.263261      4.814716
  O     -12.877161     -0.120115      6.012732
  C     -11.324548      0.159296      4.231618
  C     -10.914820     -0.213274      2.938345
  C      -9.679193      0.201739      2.450435
  C      -8.852965      0.978820      3.259853
  F      -7.689234      1.393279      2.721382
  C      -9.212472      1.370734      4.557569
  C      -8.368882      2.200205      5.491231
  O      -8.938294      2.970733      6.286458
  N      -7.010548      2.006413      5.386086
  C      -6.302381      2.419126      6.425570
  C     -10.469353      0.950684      5.012279
  H      -5.250794      5.122610     -1.710402
  H      -3.599632      5.626566     -1.262395
  H      -3.864233      4.224964     -2.370166
  H      -5.965300      2.803104     -2.305771
  H      -6.931649      0.501153     -2.335706
  H      -3.659751     -1.628135      3.913667
  H      -3.915761      1.816065      1.345935
  H      -8.335244     10.585617      0.117874
  H      -6.849026     10.715353     -0.851604
  H      -8.281780      9.891933     -1.541014
  H      -6.293475     10.900694      1.438848
  H      -5.116427     10.772874      3.629979
  H      -4.488963      3.856781      4.134088
  H      -6.590954      6.591997      1.391668
  H     -14.610588     -1.010959      4.411620
  H     -13.307694     -1.849461      3.516277
  H     -13.820097     -0.226366      2.997693
  H     -11.554585     -0.829148      2.302711
  H      -9.339799     -0.062677      1.446527
  H      -6.829332      2.687169      7.361682
  H     -10.786304      1.254238      6.011708
  N      -2.247860      2.171118      3.048416
  H      -2.236958      1.226958      2.641915
  H      -1.277463      2.381890      3.305044
  H      -2.478184      2.814541      2.273794
90
Coordinates from ORCA-job orca E -6670.604092384317
  N      -3.488188      0.232190      5.002700
  Mo     -3.655473      2.301432      4.808848
  N      -4.923704      2.506547      6.493356
  C      -4.231030      2.970453      7.687573
  C      -2.933301      2.193485      7.850090
  N      -2.180665      2.020517      6.546450
  C      -1.644752      0.628401      6.452344
  C      -2.783409     -0.322549      6.143838
  C      -1.080970      3.020681      6.415685
  C      -1.675146      4.391989      6.078717
  N      -2.804214      4.067676      5.259108
  H      -2.391326     -1.331856      5.935930
  H      -3.469322     -0.405425      7.004182
  H      -0.923819      0.608354      5.622869
  H      -1.122013      0.344894      7.383172
  H      -1.984264      4.949539      6.979597
  H      -0.947705      5.013573      5.531968
  H      -0.475964      3.050080      7.336739
  H      -0.439881      2.692640      5.586169
  H      -4.837814      2.839316      8.600288
  H      -4.020360      4.051304      7.597932
  H      -3.164908      1.192944      8.236749
  H      -2.283116      2.692166      8.587221
  C      -4.424281      4.598204     -1.615369
  C      -4.381562      3.740369     -0.372023
  O      -3.768725      4.108598      0.634521
  C      -5.085605      2.421865     -0.393331
  C      -6.067835      2.060792     -1.333283
  C      -6.700277      0.821810     -1.234084
  C      -6.359701     -0.051811     -0.197799
  F      -7.033922     -1.216511     -0.127727
  C      -5.391175      0.272846      0.768546
  C      -5.016286     -0.601000      1.938949
  O      -5.238514     -1.820289      1.949988
  N      -4.477371      0.129424      2.982654
  C      -3.887443     -0.513833      3.978381
  C      -4.778358      1.516272      0.621808
  C      -7.670201     10.037915     -0.641959
  C      -7.185132      8.717903     -0.076936
  O      -7.347714      7.667960     -0.697905
  C      -6.497658      8.727193      1.252354
  C      -6.088806      9.915383      1.885045
  C      -5.427963      9.868513      3.110357
  C      -5.164687      8.631721      3.697942
  F      -4.546541      8.640980      4.897424
  C      -5.557959      7.419559      3.103253
  C      -5.296310      6.045555      3.643767
  O      -6.079938      5.126756      3.384472
  N      -4.103496      5.912187      4.357088
  C      -3.764155      4.677782      4.616253
  C      -6.238176      7.503484      1.883463
  C     -13.400484     -0.966719      3.481070
  C     -12.422922     -0.426357      4.508354
  O     -12.687154     -0.469378      5.710285
  C     -11.138454      0.157390      4.017394
  C     -10.701957     -0.001833      2.688013
  C      -9.494965      0.554555      2.275410
  C      -8.721340      1.260210      3.197416
  F      -7.595071      1.830105      2.735616
  C      -9.108041      1.437194      4.536787
  C      -8.309576      2.180857      5.577127
  O      -8.922288      2.820705      6.452016
  N      -6.942620      2.044618      5.460889
  C      -6.250689      2.420658      6.525110
  C     -10.337678      0.882602      4.912688
  H      -5.429461      5.040050     -1.731006
  H      -3.696922      5.413839     -1.526429
  H      -4.226049      4.000458     -2.518267
  H      -6.348272      2.742337     -2.139832
  H      -7.468825      0.516752     -1.947345
  H      -3.745434     -1.608705      3.996635
  H      -4.020652      1.788706      1.345237
  H      -8.304746     10.569939      0.084545
  H      -6.811935     10.692347     -0.870023
  H      -8.233778      9.853570     -1.564300
  H      -6.278521     10.886795      1.423416
  H      -5.110635     10.778720      3.623580
  H      -4.514045      3.863739      4.189320
  H      -6.565574      6.576720      1.411822
  H     -14.337273     -1.241735      3.980671
  H     -12.980389     -1.861734      2.991630
  H     -13.598563     -0.223439      2.692986
  H     -11.301949     -0.560043      1.966120
  H      -9.138721      0.459340      1.247285
  H      -6.772210      2.668970      7.468098
  H     -10.676714      1.021104      5.941268
  N      -2.256350      2.165280      3.053600
  H      -2.258217      1.218748      2.655586
  H      -1.279344      2.383967      3.273089
  H      -2.517891      2.804773      2.284639
90
Coordinates from ORCA-job orca E -6670.609920500506
  N      -3.514654      0.207805      5.134278
  Mo     -3.674543      2.254340      4.880376
  N      -4.871070      2.520332      6.592936
  C      -4.144119      3.007010      7.755104
  C      -2.849357      2.221770      7.892767
  N      -2.151273      2.010623      6.559818
  C      -1.619360      0.611281      6.488073
  C      -2.775811     -0.338776      6.251993
  C      -1.049441      2.998296      6.353624
  C      -1.640491      4.363360      5.995588
  N      -2.802736      4.031895      5.223915
  H      -2.409239     -1.358945      6.051821
  H      -3.426112     -0.390544      7.141817
  H      -0.930783      0.569769      5.633004
  H      -1.059014      0.361408      7.406114
  H      -1.911611      4.952522      6.888565
  H      -0.924839      4.958951      5.406169
  H      -0.408920      3.047815      7.249638
  H      -0.444883      2.632395      5.512887
  H      -4.724783      2.905002      8.688183
  H      -3.924794      4.082805      7.632980
  H      -3.069850      1.230196      8.306675
  H      -2.159190      2.726030      8.587904
  C      -4.580619      4.469451     -1.655391
  C      -4.485430      3.668617     -0.376278
  O      -3.753377      4.035041      0.546259
  C      -5.282079      2.411101     -0.268057
  C      -6.346400      2.077984     -1.124733
  C      -7.051450      0.892579     -0.926594
  C      -6.697149      0.041075      0.121522
  F      -7.435471     -1.075279      0.280535
  C      -5.650967      0.339161      1.011954
  C      -5.254816     -0.518821      2.180754
  O      -5.522261     -1.727733      2.223556
  N      -4.602288      0.190283      3.176929
  C      -3.997949     -0.511706      4.130982
  C      -4.974540      1.534498      0.772709
  C      -7.704814     10.002265     -0.644504
  C      -7.227600      8.682890     -0.070536
  O      -7.422571      7.630891     -0.678272
  C      -6.513423      8.693759      1.240211
  C      -6.074999      9.883665      1.849591
  C      -5.386012      9.841585      3.058724
  C      -5.126291      8.607298      3.652452
  F      -4.479172      8.620597      4.837104
  C      -5.548366      7.394774      3.082735
  C      -5.295628      6.020757      3.630699
  O      -6.098128      5.112635      3.396076
  N      -4.090325      5.880671      4.321548
  C      -3.775511      4.642551      4.600081
  C      -6.256129      7.475054      1.879383
  C     -13.067071     -1.038829      3.041460
  C     -12.149474     -0.566359      4.154963
  O     -12.437276     -0.788970      5.331308
  C     -10.907261      0.167452      3.786099
  C     -10.441931      0.225643      2.458589
  C      -9.274934      0.917709      2.153026
  C      -8.566332      1.541782      3.180529
  F      -7.483777      2.257506      2.827699
  C      -8.983421      1.497939      4.523237
  C      -8.247373      2.147431      5.666727
  O      -8.907208      2.648457      6.593413
  N      -6.874021      2.080559      5.559068
  C      -6.197066      2.438909      6.639863
  C     -10.174164      0.815747      4.790558
  H      -5.556529      4.980097     -1.714171
  H      -3.790623      5.228806     -1.670819
  H      -4.507258      3.819274     -2.539976
  H      -6.633035      2.739710     -1.944376
  H      -7.884267      0.610550     -1.572943
  H      -3.918180     -1.611022      4.133326
  H      -4.160144      1.793200      1.439215
  H      -8.316183     10.556867      0.084307
  H      -6.844841     10.643421     -0.899680
  H      -8.288906      9.810212     -1.551561
  H      -6.263623     10.851294      1.381542
  H      -5.044619     10.751333      3.555344
  H      -4.570261      3.839892      4.228562
  H      -6.609059      6.547801      1.428886
  H     -13.985870     -1.443964      3.480485
  H     -12.575576     -1.828287      2.448898
  H     -13.310958     -0.218670      2.348819
  H     -10.991331     -0.267640      1.655078
  H      -8.901957      0.993340      1.130344
  H      -6.710126      2.682067      7.587101
  H     -10.536771      0.786025      5.819582
  N      -2.341863      2.082121      3.031959
  H      -2.373268      1.125852      2.663201
  H      -1.354469      2.303289      3.189629
  H      -2.645180      2.701555      2.264907
90
Coordinates from ORCA-job orca E -6670.613745695235
  N      -3.500435      0.197018      5.127200
  Mo     -3.691670      2.224510      4.869882
  N      -4.896089      2.470729      6.568187
  C      -4.192238      2.967249      7.736393
  C      -2.891662      2.197297      7.885717
  N      -2.190373      2.000900      6.552755
  C      -1.626171      0.611395      6.484932
  C      -2.765247     -0.358739      6.236617
  C      -1.103438      3.006846      6.354054
  C      -1.711088      4.362270      5.993056
  N      -2.860091      4.019532      5.203425
  H      -2.389689     -1.373577      6.028965
  H      -3.419546     -0.423701      7.122537
  H      -0.930976      0.590205      5.635376
  H      -1.065176      0.380183      7.406476
  H      -2.000942      4.946762      6.882907
  H      -0.995453      4.968648      5.415337
  H      -0.470410      3.063638      7.254773
  H      -0.487983      2.646490      5.519436
  H      -4.782805      2.855692      8.661820
  H      -3.985815      4.045587      7.617577
  H      -3.099762      1.200094      8.290616
  H      -2.203051      2.701854      8.580883
  C      -4.427216      4.546388     -1.706462
  C      -4.357602      3.755861     -0.420393
  O      -3.634196      4.124731      0.505594
  C      -5.160834      2.505781     -0.314405
  C      -6.175926      2.152434     -1.219827
  C      -6.882180      0.967094     -1.040888
  C      -6.577642      0.134509      0.035417
  F      -7.304213     -0.993298      0.160969
  C      -5.589075      0.455218      0.979958
  C      -5.246241     -0.398204      2.162564
  O      -5.485697     -1.611874      2.172453
  N      -4.588856      0.283417      3.178767
  C      -4.007428     -0.478638      4.109311
  C      -4.909806      1.652497      0.761029
  C      -7.564004     10.055817     -0.729132
  C      -7.105083      8.731375     -0.154767
  O      -7.270534      7.690438     -0.787697
  C      -6.447640      8.722176      1.181828
  C      -6.043312      9.903634      1.828789
  C      -5.401354      9.844582      3.061501
  C      -5.156084      8.602046      3.641863
  F      -4.553749      8.596827      4.850438
  C      -5.546330      7.398599      3.036653
  C      -5.307085      6.016447      3.568771
  O      -6.089535      5.106354      3.281246
  N      -4.127840      5.871992      4.298481
  C      -3.827262      4.627988      4.571826
  C      -6.207643      7.495580      1.808918
  C     -13.193931     -1.163234      3.295043
  C     -12.213430     -0.707924      4.359815
  O     -12.422162     -0.976529      5.541807
  C     -11.012991      0.061212      3.941364
  C     -10.644895      0.188772      2.590734
  C      -9.512073      0.910785      2.236978
  C      -8.736622      1.496992      3.236729
  F      -7.678488      2.230653      2.842620
  C      -9.063349      1.390196      4.599491
  C      -8.273988      2.016859      5.718398
  O      -8.891540      2.449686      6.702640
  N      -6.905122      1.996399      5.540706
  C      -6.219523      2.363221      6.614108
  C     -10.220624      0.677971      4.917858
  H      -5.398600      5.059105     -1.792173
  H      -3.633463      5.300585     -1.710774
  H      -4.338116      3.891007     -2.584263
  H      -6.420379      2.796286     -2.064857
  H      -7.675478      0.667932     -1.726011
  H      -3.959472     -1.576919      4.070728
  H      -4.143734      1.936073      1.472137
  H      -8.208558     10.598514     -0.022070
  H      -6.700425     10.706616     -0.937991
  H      -8.106362      9.870939     -1.661916
  H      -6.221600     10.876539      1.371129
  H      -5.086353     10.745540      3.587716
  H      -4.629387      3.835796      4.194921
  H      -6.538261      6.574155      1.330608
  H     -14.070148     -1.601440      3.783602
  H     -12.731107     -1.920803      2.643132
  H     -13.502022     -0.329506      2.647359
  H     -11.244108     -0.275628      1.807905
  H      -9.217619      1.039677      1.197652
  H      -6.722122      2.584620      7.570525
  H     -10.512490      0.600823      5.965891
  N      -2.323070      2.114797      3.001527
  H      -2.338232      1.161797      2.628352
  H      -1.342325      2.358112      3.161226
  H      -2.640203      2.732751      2.243497
90
Coordinates from ORCA-job orca E -6670.617724176712
  N      -3.446721      0.192661      5.155052
  Mo     -3.664292      2.203756      4.857060
  N      -4.894578      2.452863      6.527528
  C      -4.218920      2.969202      7.703239
  C      -2.909713      2.219366      7.883233
  N      -2.191285      2.024185      6.560809
  C      -1.590310      0.647903      6.517579
  C      -2.708670     -0.348277      6.266858
  C      -1.120917      3.049330      6.368808
  C      -1.748409      4.388217      5.983900
  N      -2.873623      4.017324      5.170981
  H      -2.321031     -1.360188      6.069266
  H      -3.366987     -0.412845      7.150085
  H      -0.884800      0.633418      5.676586
  H      -1.035448      0.445365      7.448882
  H      -2.068250      4.975817      6.860941
  H      -1.031208      5.003329      5.417606
  H      -0.503639      3.128203      7.278635
  H      -0.485071      2.691567      5.548705
  H      -4.826789      2.856780      8.617120
  H      -4.026618      4.049198      7.578049
  H      -3.111012      1.222305      8.291680
  H      -2.234303      2.736519      8.581446
  C      -4.477303      4.447509     -1.746818
  C      -4.383853      3.681499     -0.448248
  O      -3.585973      4.021138      0.427502
  C      -5.247350      2.482690     -0.267258
  C      -6.305206      2.142796     -1.127778
  C      -7.050548      0.993095     -0.887428
  C      -6.737123      0.178559      0.199818
  F      -7.489154     -0.924724      0.376145
  C      -5.704997      0.490469      1.099290
  C      -5.325840     -0.357953      2.269681
  O      -5.595120     -1.563935      2.303131
  N      -4.596182      0.307746      3.249618
  C      -3.995756     -0.474511      4.156759
  C      -4.996253      1.657717      0.828980
  C      -7.457347     10.204962     -0.719947
  C      -7.017818      8.860977     -0.179952
  O      -7.185117      7.839974     -0.843390
  C      -6.374835      8.807457      1.163238
  C      -5.971065      9.965299      1.851454
  C      -5.342085      9.863444      3.087516
  C      -5.108702      8.602324      3.630571
  F      -4.517320      8.553959      4.843862
  C      -5.497763      7.421496      2.983092
  C      -5.269984      6.023977      3.475395
  O      -6.051315      5.123039      3.152950
  N      -4.115451      5.861206      4.235840
  C      -3.831258      4.612916      4.517207
  C      -6.147685      7.560875      1.753645
  C     -13.149904     -1.304747      3.251133
  C     -12.156077     -0.862181      4.307050
  O     -12.317764     -1.190599      5.480387
  C     -10.995362     -0.031106      3.890515
  C     -10.681354      0.187884      2.539058
  C      -9.583702      0.964100      2.191120
  C      -8.787799      1.513207      3.194053
  F      -7.759591      2.293289      2.806604
  C      -9.063714      1.319559      4.556795
  C      -8.265588      1.910496      5.689163
  O      -8.874187      2.276976      6.704626
  N      -6.898921      1.941846      5.488924
  C      -6.215970      2.326633      6.559002
  C     -10.186852      0.554340      4.872377
  H      -5.423317      5.007886     -1.801929
  H      -3.645630      5.156898     -1.806435
  H      -4.462876      3.769726     -2.611515
  H      -6.552280      2.768691     -1.984714
  H      -7.877759      0.704664     -1.535626
  H      -3.991051     -1.573024      4.119169
  H      -4.202704      1.937386      1.508829
  H      -8.105316     10.732855     -0.005544
  H      -6.586247     10.853621     -0.899382
  H      -7.989747     10.050940     -1.663802
  H      -6.140725     10.952745      1.423403
  H      -5.028257     10.744962      3.645834
  H      -4.630566      3.825348      4.139301
  H      -6.482775      6.657147      1.247276
  H     -13.992733     -1.797925      3.745575
  H     -12.679868     -2.012860      2.551387
  H     -13.509402     -0.455777      2.652240
  H     -11.295009     -0.247952      1.751410
  H      -9.333786      1.164392      1.151976
  H      -6.724349      2.541645      7.513718
  H     -10.439570      0.409391      5.923139
  N      -2.235195      2.138926      3.006852
  H      -2.224345      1.186076      2.634476
  H      -1.264709      2.405410      3.188901
  H      -2.550844      2.752219      2.243600
90
Coordinates from ORCA-job orca E -6670.621761319342
  N      -3.408559      0.159811      5.218609
  Mo     -3.657675      2.145965      4.847773
  N      -4.889440      2.427926      6.505996
  C      -4.218224      2.982910      7.669556
  C      -2.898082      2.255151      7.870108
  N      -2.182330      2.034981      6.550608
  C      -1.551301      0.669829      6.548319
  C      -2.654209     -0.353892      6.329819
  C      -1.128464      3.073063      6.328445
  C      -1.778753      4.389210      5.906136
  N      -2.894195      3.977717      5.097546
  H      -2.257704     -1.365392      6.150359
  H      -3.304076     -0.405244      7.220570
  H      -0.848788      0.643813      5.704998
  H      -0.990399      0.508662      7.483646
  H      -2.113311      4.994967      6.764660
  H      -1.068791      5.002406      5.328278
  H      -0.511594      3.189714      7.234550
  H      -0.486638      2.703840      5.518211
  H      -4.827965      2.886309      8.583725
  H      -4.040438      4.061617      7.516049
  H      -3.090161      1.267252      8.304990
  H      -2.225792      2.797007      8.552190
  C      -4.463024      4.396991     -1.732233
  C      -4.366936      3.665750     -0.414338
  O      -3.520022      3.985914      0.423521
  C      -5.286160      2.520284     -0.167283
  C      -6.374308      2.201203     -0.998145
  C      -7.163235      1.092130     -0.711607
  C      -6.856470      0.289480      0.385818
  F      -7.639260     -0.784343      0.599107
  C      -5.790215      0.580339      1.253570
  C      -5.396684     -0.288931      2.402653
  O      -5.717857     -1.481858      2.441718
  N      -4.602798      0.326181      3.366735
  C      -4.011867     -0.496074      4.249412
  C      -5.045802      1.717237      0.949356
  C      -7.441229     10.295049     -0.712934
  C      -7.023595      8.932797     -0.204189
  O      -7.225207      7.925236     -0.878753
  C      -6.356387      8.844196      1.127805
  C      -5.920040      9.980965      1.831167
  C      -5.272315      9.843591      3.054077
  C      -5.050742      8.568531      3.569339
  F      -4.441224      8.487731      4.771806
  C      -5.469826      7.406728      2.904183
  C      -5.259277      5.997508      3.369006
  O      -6.053073      5.111003      3.030722
  N      -4.111524      5.807894      4.129130
  C      -3.851855      4.555983      4.429397
  C      -6.140071      7.582321      1.690133
  C     -13.091596     -1.400564      3.128436
  C     -12.099781     -0.996207      4.200039
  O     -12.228403     -1.408025      5.350769
  C     -10.973671     -0.095644      3.824067
  C     -10.697913      0.242214      2.488410
  C      -9.630620      1.077147      2.183168
  C      -8.826854      1.565737      3.209791
  F      -7.823731      2.397995      2.864846
  C      -9.067370      1.258810      4.557074
  C      -8.270294      1.788864      5.720399
  O      -8.876726      2.071479      6.765349
  N      -6.907513      1.879847      5.499210
  C      -6.209266      2.286146      6.551488
  C     -10.160876      0.435884      4.833514
  H      -5.384697      4.995904     -1.784982
  H      -3.601553      5.065021     -1.835424
  H      -4.498474      3.691981     -2.574793
  H      -6.612185      2.813823     -1.867575
  H      -8.015999      0.822486     -1.334870
  H      -4.064205     -1.592988      4.207023
  H      -4.229259      1.983171      1.607906
  H      -8.064729     10.824350      0.022178
  H      -6.558065     10.926271     -0.896305
  H      -7.993369     10.169306     -1.650041
  H      -6.081029     10.979808      1.425746
  H      -4.934951     10.708869      3.624782
  H      -4.657343      3.774197      4.076565
  H      -6.504688      6.694946      1.176988
  H     -13.907850     -1.959105      3.598280
  H     -12.605221     -2.039341      2.374918
  H     -13.491994     -0.525877      2.595917
  H     -11.316598     -0.147020      1.679896
  H      -9.411076      1.369291      1.157142
  H      -6.709297      2.510017      7.509460
  H     -10.386572      0.201193      5.874233
  N      -2.209881      2.084817      2.989568
  H      -2.182780      1.125081      2.634607
  H      -1.245705      2.373131      3.170098
  H      -2.536820      2.678608      2.215679
90
Coordinates from ORCA-job orca E -6670.625646308734
  N      -3.344952      0.117243      5.264533
  Mo     -3.642236      2.074112      4.813433
  N      -4.896483      2.379875      6.452488
  C      -4.238000      2.982312      7.605417
  C      -2.902925      2.290328      7.836692
  N      -2.173883      2.048344      6.529423
  C      -1.503438      0.701845      6.573748
  C      -2.577841     -0.359264      6.381961
  C      -1.144869      3.107960      6.283917
  C      -1.827276      4.392649      5.817280
  N      -2.921273      3.927150      5.007696
  H      -2.158425     -1.364840      6.224519
  H      -3.225585     -0.404660      7.275015
  H      -0.797807      0.668372      5.733069
  H      -0.943574      0.584646      7.516015
  H      -2.190353      5.013285      6.652984
  H      -1.126989      5.010336      5.231779
  H      -0.538002      3.270008      7.189901
  H      -0.486513      2.734507      5.488962
  H      -4.853863      2.898395      8.516346
  H      -4.083470      4.059730      7.421440
  H      -3.082398      1.312896      8.300597
  H      -2.248359      2.866426      8.507958
  C      -4.377472      4.386650     -1.687303
  C      -4.301080      3.687651     -0.351106
  O      -3.438865      4.001537      0.475014
  C      -5.252955      2.574087     -0.073444
  C      -6.340089      2.258807     -0.907534
  C      -7.153509      1.170983     -0.607947
  C      -6.866260      0.378175      0.501551
  F      -7.660411     -0.684418      0.719782
  C      -5.798132      0.665177      1.371442
  C      -5.410544     -0.227009      2.506043
  O      -5.750036     -1.415761      2.526788
  N      -4.571172      0.331654      3.465380
  C      -3.988015     -0.530956      4.319699
  C      -5.034474      1.789269      1.062899
  C      -7.467295     10.386343     -0.686530
  C      -7.062966      9.004554     -0.222673
  O      -7.298396      8.014751     -0.912616
  C      -6.362563      8.874453      1.092194
  C      -5.893501      9.985791      1.814820
  C      -5.220647      9.806408      3.018880
  C      -5.004364      8.515453      3.496718
  F      -4.371242      8.398873      4.683384
  C      -5.453192      7.375724      2.808381
  C      -5.253076      5.952714      3.235990
  O      -6.060136      5.082158      2.881420
  N      -4.114436      5.735676      3.997456
  C      -3.878471      4.481528      4.316138
  C      -6.149902      7.594427      1.615906
  C     -13.139890     -1.428864      3.084233
  C     -12.134600     -1.075226      4.160192
  O     -12.232988     -1.549757      5.289628
  C     -11.023603     -0.139520      3.810648
  C     -10.785534      0.288656      2.492327
  C      -9.729924      1.149488      2.216041
  C      -8.902828      1.572990      3.252616
  F      -7.903578      2.422184      2.938427
  C      -9.107983      1.182966      4.582413
  C      -8.291790      1.656532      5.756297
  O      -8.877104      1.869416      6.832115
  N      -6.938509      1.788936      5.498599
  C      -6.214806      2.218974      6.520944
  C     -10.189076      0.332633      4.833278
  H      -5.286533      5.001809     -1.763607
  H      -3.500545      5.032350     -1.805855
  H      -4.421557      3.657372     -2.509539
  H      -6.558089      2.859506     -1.791198
  H      -8.006413      0.906362     -1.234113
  H      -4.089656     -1.623704      4.267454
  H      -4.218887      2.051791      1.724678
  H      -8.063250     10.906209      0.078241
  H      -6.575322     11.004300     -0.875090
  H      -8.044629     10.296107     -1.613159
  H      -6.050493     10.998028      1.440319
  H      -4.859705     10.652629      3.604874
  H      -4.676608      3.699845      3.979452
  H      -6.543553      6.726206      1.091864
  H     -13.942408     -2.024483      3.533363
  H     -12.657041     -2.016700      2.287480
  H     -13.559299     -0.528531      2.611822
  H     -11.422186     -0.050937      1.674518
  H      -9.535795      1.509010      1.203649
  H      -6.702709      2.459656      7.482945
  H     -10.387765      0.030712      5.862251
  N      -2.153666      2.019562      2.974138
  H      -2.094816      1.053936      2.637078
  H      -1.201548      2.336190      3.169623
  H      -2.480439      2.590097      2.183020
90
Coordinates from ORCA-job orca E -6670.628383948358
  N      -3.291162      0.088488      5.283043
  Mo     -3.627485      2.024813      4.771595
  N      -4.917468      2.340234      6.387731
  C      -4.275969      2.979572      7.535822
  C      -2.930027      2.320197      7.798135
  N      -2.174971      2.067751      6.509386
  C      -1.471803      0.740082      6.588800
  C      -2.514815     -0.355558      6.406720
  C      -1.169154      3.148636      6.256741
  C      -1.877405      4.405557      5.753082
  N      -2.943913      3.894743      4.934270
  H      -2.066416     -1.350326      6.261936
  H      -3.163983     -0.409276      7.298359
  H      -0.757674      0.707342      5.755296
  H      -0.920248      0.653102      7.539245
  H      -2.273895      5.031923      6.569175
  H      -1.183501      5.032284      5.169254
  H      -0.579002      3.345556      7.166910
  H      -0.490030      2.777859      5.478107
  H      -4.900734      2.901215      8.440695
  H      -4.142486      4.055804      7.330705
  H      -3.100705      1.350087      8.280925
  H      -2.300885      2.924579      8.469014
  C      -4.281808      4.385665     -1.636197
  C      -4.219000      3.694180     -0.295605
  O      -3.339454      3.984362      0.521102
  C      -5.204998      2.613882     -0.003649
  C      -6.294785      2.316919     -0.840395
  C      -7.134010      1.248936     -0.539104
  C      -6.866114      0.452578      0.572741
  F      -7.679960     -0.593601      0.790053
  C      -5.793799      0.723036      1.444949
  C      -5.411747     -0.193520      2.561453
  O      -5.774859     -1.376030      2.572401
  N      -4.543228      0.323798      3.515488
  C      -3.969087     -0.560421      4.361165
  C      -5.008163      1.832639      1.139387
  C      -7.468681     10.481570     -0.659103
  C      -7.075231      9.083603     -0.235931
  O      -7.336844      8.111777     -0.941195
  C      -6.350731      8.915665      1.063014
  C      -5.859808     10.003836      1.805344
  C      -5.170707      9.787224      2.994005
  C      -4.958499      8.482988      3.436876
  F      -4.311225      8.336579      4.611800
  C      -5.426426      7.363386      2.724974
  C      -5.235925      5.928165      3.119453
  O      -6.038597      5.069553      2.725248
  N      -4.108650      5.688022      3.886349
  C      -3.895582      4.432307      4.216012
  C      -6.140012      7.620380      1.550071
  C     -13.204099     -1.481729      3.106666
  C     -12.179267     -1.156491      4.172749
  O     -12.245463     -1.668615      5.287781
  C     -11.084201     -0.197749      3.827945
  C     -10.889690      0.288582      2.522082
  C      -9.846676      1.166697      2.250711
  C      -8.990880      1.548786      3.280591
  F      -7.999031      2.408415      2.971791
  C      -9.154900      1.105883      4.599434
  C      -8.312733      1.548107      5.766800
  O      -8.865978      1.694837      6.871136
  N      -6.972572      1.710541      5.473729
  C      -6.234215      2.163142      6.471883
  C     -10.222998      0.236110      4.845677
  H      -5.178923      5.017394     -1.718954
  H      -3.391643      5.011826     -1.761357
  H      -4.338928      3.648696     -2.451215
  H      -6.494525      2.917287     -1.728772
  H      -7.990018      1.000676     -1.167876
  H      -4.109232     -1.647780      4.309955
  H      -4.189258      2.080702      1.804406
  H      -8.043650     10.988602      0.130125
  H      -6.570011     11.089894     -0.848238
  H      -8.064046     10.424442     -1.577075
  H      -6.013696     11.027054      1.460031
  H      -4.794475     10.615840      3.595680
  H      -4.681656      3.649093      3.883894
  H      -6.554244      6.769551      1.012247
  H     -13.992251     -2.102394      3.547831
  H     -12.730369     -2.034482      2.279652
  H     -13.641666     -0.567887      2.678637
  H     -11.549033     -0.018916      1.709479
  H      -9.682845      1.568723      1.248821
  H      -6.716175      2.417971      7.434471
  H     -10.390088     -0.109491      5.866483
  N      -2.092955      1.968974      2.969326
  H      -2.004469      1.001103      2.644891
  H      -1.153111      2.304869      3.189602
  H      -2.405213      2.522677      2.161196
90
Coordinates from ORCA-job orca E -6670.630862229801
  N      -3.217684      0.075301      5.308014
  Mo     -3.588814      2.002738      4.759862
  N      -4.899445      2.319732      6.366953
  C      -4.263269      2.984229      7.507988
  C      -2.907442      2.350873      7.781976
  N      -2.135414      2.099000      6.504524
  C      -1.406270      0.788999      6.599816
  C      -2.419665     -0.336799      6.429386
  C      -1.153382      3.199804      6.243664
  C      -1.887630      4.433834      5.720046
  N      -2.934246      3.887030      4.899977
  H      -1.938257     -1.316117      6.284283
  H      -3.059789     -0.410593      7.326138
  H      -0.690747      0.762516      5.767288
  H      -0.855243      0.720485      7.552380
  H      -2.308217      5.057822      6.526205
  H      -1.205495      5.073228      5.135983
  H      -0.571363      3.421325      7.153522
  H      -0.462401      2.835995      5.471972
  H      -4.886759      2.906709      8.413590
  H      -4.148243      4.059776      7.289216
  H      -3.066473      1.383658      8.275099
  H      -2.298657      2.975588      8.453512
  C      -4.334244      4.314268     -1.573680
  C      -4.245141      3.603600     -0.244645
  O      -3.349413      3.881947      0.557697
  C      -5.226150      2.520338      0.051007
  C      -6.306329      2.204046     -0.790340
  C      -7.132606      1.125174     -0.489484
  C      -6.862076      0.338409      0.629058
  F      -7.663612     -0.716294      0.847464
  C      -5.802238      0.633059      1.509555
  C      -5.406333     -0.272642      2.629911
  O      -5.747399     -1.462385      2.650897
  N      -4.524665      0.259755      3.560529
  C      -3.929299     -0.599714      4.423165
  C      -5.028616      1.749430      1.199953
  C      -7.575229     10.507935     -0.586827
  C      -7.164611      9.104853     -0.195542
  O      -7.440333      8.142397     -0.907762
  C      -6.406040      8.921743      1.081675
  C      -5.909996     10.001838      1.831809
  C      -5.192503      9.770950      3.000893
  C      -4.957374      8.461443      3.416290
  F      -4.285499      8.306727      4.575745
  C      -5.428389      7.348325      2.694076
  C      -5.219094      5.906843      3.062501
  O      -6.010354      5.047831      2.647199
  N      -4.093278      5.665732      3.829678
  C      -3.887189      4.411602      4.166517
  C      -6.169795      7.620077      1.539790
  C     -13.236986     -1.315381      2.963254
  C     -12.213163     -1.056562      4.049153
  O     -12.297951     -1.612944      5.141531
  C     -11.095902     -0.108249      3.750241
  C     -10.893667      0.439664      2.469966
  C      -9.829152      1.303432      2.238318
  C      -8.961335      1.609107      3.284643
  F      -7.941833      2.448534      3.012690
  C      -9.135327      1.108039      4.582449
  C      -8.284086      1.482687      5.766686
  O      -8.829082      1.577880      6.880702
  N      -6.950860      1.665712      5.469284
  C      -6.214320      2.131095      6.460917
  C     -10.223537      0.251917      4.786755
  H      -5.243069      4.932599     -1.634764
  H      -3.455683      4.956126     -1.701593
  H      -4.389530      3.587167     -2.397998
  H      -6.507333      2.796788     -1.683687
  H      -7.980585      0.862332     -1.123282
  H      -4.078960     -1.686045      4.402836
  H      -4.218798      2.014453      1.871548
  H      -8.133656     10.997446      0.225224
  H      -6.683055     11.122724     -0.786817
  H      -8.192433     10.465448     -1.491083
  H      -6.081940     11.029682      1.509254
  H      -4.812326     10.593311      3.608829
  H      -4.661673      3.621339      3.842940
  H      -6.587865      6.774729      0.993963
  H     -14.041369     -1.940050      3.368125
  H     -12.766046     -1.839367      2.115929
  H     -13.653388     -0.373967      2.575353
  H     -11.562673      0.191191      1.645162
  H      -9.655084      1.749231      1.257685
  H      -6.698481      2.396103      7.419902
  H     -10.397879     -0.139987      5.789564
  N      -2.042854      1.929064      2.979899
  H      -1.937440      0.960012      2.663519
  H      -1.108987      2.273835      3.212025
  H      -2.345829      2.471569      2.160224
90
Coordinates from ORCA-job orca E -6670.631208831725
  N      -3.202692      0.051760      5.334091
  Mo     -3.579291      1.968537      4.726376
  N      -4.906314      2.333993      6.314521
  C      -4.276332      3.028135      7.446085
  C      -2.924722      2.399840      7.748800
  N      -2.139082      2.119996      6.484576
  C      -1.404281      0.814466      6.621002
  C      -2.405248     -0.328500      6.467687
  C      -1.160467      3.221776      6.202974
  C      -1.894507      4.440488      5.635948
  N      -2.928990      3.866532      4.814244
  H      -1.907064     -1.303409      6.339623
  H      -3.046344     -0.399737      7.364035
  H      -0.681710      0.771607      5.795750
  H      -0.861036      0.773533      7.584121
  H      -2.328920      5.083698      6.423256
  H      -1.209322      5.070620      5.044856
  H      -0.586451      3.471219      7.114666
  H      -0.461841      2.837634      5.445513
  H      -4.905537      2.974858      8.350960
  H      -4.158662      4.099151      7.200139
  H      -3.088148      1.442293      8.261341
  H      -2.323725      3.041097      8.414942
  C      -4.286914      4.223432     -1.473765
  C      -4.158026      3.481108     -0.169681
  O      -3.204666      3.702168      0.613703
  C      -5.164512      2.433375      0.126257
  C      -6.262537      2.151164     -0.700148
  C      -7.109241      1.093291     -0.394621
  C      -6.848130      0.294114      0.715718
  F      -7.679852     -0.736346      0.944697
  C      -5.770619      0.557754      1.580433
  C      -5.371809     -0.352395      2.692234
  O      -5.752165     -1.534638      2.739536
  N      -4.496593      0.189138      3.600782
  C      -3.923607     -0.645573      4.480404
  C      -4.974157      1.653083      1.264423
  C      -7.691263     10.638626     -0.458215
  C      -7.255696      9.219634     -0.144602
  O      -7.552795      8.284538     -0.891516
  C      -6.448280      8.985891      1.098482
  C      -5.939290     10.040158      1.881077
  C      -5.180150      9.764031      3.017716
  C      -4.918424      8.435809      3.368429
  F      -4.208599      8.237575      4.501258
  C      -5.399997      7.347401      2.611798
  C      -5.172790      5.889006      2.918357
  O      -5.965141      5.038967      2.487009
  N      -4.054986      5.636345      3.695291
  C      -3.871402      4.381787      4.057105
  C      -6.181272      7.664048      1.490920
  C     -13.230490     -1.320770      2.932594
  C     -12.203854     -1.057013      4.006197
  O     -12.273045     -1.627619      5.086484
  C     -11.105402     -0.088073      3.709444
  C     -10.930000      0.492318      2.436777
  C      -9.887977      1.385137      2.196561
  C      -9.012990      1.682658      3.230419
  F      -8.028708      2.568366      2.936824
  C      -9.154185      1.136681      4.530872
  C      -8.288855      1.489581      5.716162
  O      -8.820154      1.543979      6.847438
  N      -6.959918      1.676947      5.418312
  C      -6.221953      2.154085      6.404694
  C     -10.224959      0.260576      4.737334
  H      -5.191676      4.860879     -1.493261
  H      -3.399840      4.840502     -1.606132
  H      -4.384408      3.524257     -2.316250
  H      -6.461195      2.753257     -1.585415
  H      -7.968794      0.856774     -1.017935
  H      -4.074578     -1.724548      4.492738
  H      -4.152390      1.894167      1.926422
  H      -8.224630     11.088303      0.395354
  H      -6.812167     11.270338     -0.660210
  H      -8.339372     10.631531     -1.344146
  H      -6.133837     11.082671      1.609508
  H      -4.789312     10.565126      3.650942
  H      -4.649275      3.587743      3.748793
  H      -6.610114      6.838911      0.920178
  H     -14.021171     -1.964913      3.334821
  H     -12.752563     -1.821593      2.078393
  H     -13.669626     -0.385201      2.562702
  H     -11.606316      0.252794      1.619956
  H      -9.738759      1.863780      1.216646
  H      -6.706781      2.444933      7.354353
  H     -10.377253     -0.159535      5.737452
  N      -2.016094      1.848980      2.964875
  H      -1.908451      0.871623      2.670494
  H      -1.084748      2.197669      3.203608
  H      -2.307409      2.374701      2.125283
90
Coordinates from ORCA-job orca E -6670.626884021905
  N      -3.180526      0.025673      5.337498
  Mo     -3.572487      1.932031      4.690928
  N      -4.886665      2.332518      6.282864
  C      -4.243149      3.048163      7.393940
  C      -2.890062      2.425513      7.695073
  N      -2.112317      2.127751      6.430183
  C      -1.371709      0.829651      6.587817
  C      -2.363496     -0.329486      6.466860
  C      -1.140628      3.231141      6.113468
  C      -1.883425      4.435474      5.525987
  N      -2.923115      3.841076      4.722243
  H      -1.845409     -1.294851      6.339067
  H      -2.990333     -0.409110      7.374886
  H      -0.656648      0.777683      5.755473
  H      -0.817977      0.808735      7.548458
  H      -2.314249      5.088590      6.305652
  H      -1.206145      5.061183      4.918904
  H      -0.557435      3.500856      7.015396
  H      -0.449153      2.833603      5.356135
  H      -4.860842      3.011416      8.308744
  H      -4.127337      4.114732      7.125251
  H      -3.047575      1.474117      8.224059
  H      -2.284355      3.078146      8.348269
  C      -4.019608      4.176296     -1.237477
  C      -3.973130      3.384529      0.012178
  O      -3.059165      3.519581      0.793429
  C      -5.046161      2.397129      0.261314
  C      -6.148201      2.197166     -0.573659
  C      -7.061371      1.178964     -0.296666
  C      -6.862405      0.338333      0.791058
  F      -7.757281     -0.647419      0.993987
  C      -5.777910      0.521515      1.658792
  C      -5.403831     -0.420756      2.745595
  O      -5.830442     -1.589562      2.801205
  N      -4.501741      0.120100      3.635029
  C      -3.925604     -0.689215      4.520178
  C      -4.921370      1.578090      1.372819
  C      -7.909738     10.587809     -0.382844
  C      -7.425601      9.177807     -0.107305
  O      -7.727999      8.246772     -0.856276
  C      -6.567543      8.948075      1.099175
  C      -6.062314     10.004376      1.880037
  C      -5.257889      9.731632      2.985299
  C      -4.949794      8.405630      3.306862
  F      -4.199121      8.211296      4.414113
  C      -5.425403      7.315911      2.550674
  C      -5.164144      5.857136      2.829295
  O      -5.942325      5.001930      2.391087
  N      -4.038198      5.608583      3.594316
  C      -3.867698      4.353706      3.964691
  C      -6.249638      7.629180      1.460639
  C     -13.279125     -1.178550      2.831382
  C     -12.241154     -0.954658      3.925054
  O     -12.300926     -1.565133      4.999020
  C     -11.139219     -0.002982      3.663258
  C     -10.980011      0.578881      2.422917
  C      -9.934499      1.447364      2.211855
  C      -9.040032      1.722165      3.241897
  F      -8.063412      2.600892      2.965221
  C      -9.163693      1.171833      4.512364
  C      -8.274360      1.493564      5.698781
  O      -8.778974      1.534605      6.806853
  N      -6.950658      1.673245      5.405541
  C      -6.202651      2.159157      6.384833
  C     -10.237977      0.319561      4.691134
  H      -4.880174      4.875482     -1.265086
  H      -3.107352      4.745933     -1.332115
  H      -4.127151      3.496881     -2.076628
  H      -6.303575      2.832434     -1.440353
  H      -7.926678      1.006712     -0.926180
  H      -4.077964     -1.763562      4.561934
  H      -4.092830      1.755488      2.039715
  H      -8.424438     11.011224      0.495893
  H      -7.057213     11.246082     -0.605623
  H      -8.587232     10.574653     -1.244612
  H      -6.294721     11.044842      1.631657
  H      -4.868462     10.533142      3.617380
  H      -4.655745      3.560389      3.677147
  H      -6.674680      6.803521      0.889631
  H     -14.062342     -1.831872      3.216166
  H     -12.821417     -1.656927      1.948587
  H     -13.715088     -0.224552      2.492025
  H     -11.672411      0.357182      1.609125
  H      -9.795902      1.923430      1.260515
  H      -6.678091      2.472508      7.330828
  H     -10.376903     -0.104147      5.668808
  N      -2.025374      1.776989      2.921673
  H      -1.918519      0.795024      2.642452
  H      -1.091563      2.130581      3.150557
  H      -2.323667      2.292500      2.069562
90
Coordinates from ORCA-job orca E -6670.631166156751
  N      -3.197075      0.057627      5.330885
  Mo     -3.576351      1.972082      4.727372
  N      -4.879254      2.347035      6.325174
  C      -4.235099      3.026560      7.441906
  C      -2.890363      2.386961      7.721896
  N      -2.116637      2.114025      6.455747
  C      -1.387287      0.815070      6.582822
  C      -2.383431     -0.327335      6.442959
  C      -1.140557      3.207486      6.161663
  C      -1.870138      4.424317      5.606730
  N      -2.914597      3.865490      4.795708
  H      -1.869007     -1.287234      6.288878
  H      -3.006980     -0.427737      7.349115
  H      -0.673720      0.777690      5.750053
  H      -0.835088      0.769564      7.532462
  H      -2.292812      5.058341      6.398828
  H      -1.187763      5.054039      5.015583
  H      -0.558546      3.446632      7.061817
  H      -0.455144      2.820380      5.399280
  H      -4.850525      2.972724      8.354254
  H      -4.112265      4.093032      7.199036
  H      -3.051074      1.426333      8.222467
  H      -2.280846      3.012942      8.384832
  C      -4.108033      4.225055     -1.350802
  C      -4.072315      3.445981     -0.071514
  O      -3.146364      3.599033      0.719832
  C      -5.155979      2.446053      0.190440
  C      -6.271453      2.218849     -0.655223
  C      -7.171892      1.187495     -0.373989
  C      -6.949241      0.361409      0.728949
  F      -7.819679     -0.641963      0.928639
  C      -5.867302      0.571614      1.613182
  C      -5.474456     -0.354469      2.714056
  O      -5.847062     -1.523496      2.757875
  N      -4.550571      0.190485      3.619279
  C      -3.959006     -0.637019      4.503722
  C      -5.022020      1.640600      1.319739
  C      -7.803913     10.462587     -0.470922
  C      -7.319742      9.079397     -0.122421
  O      -7.594502      8.124272     -0.832475
  C      -6.498851      8.905838      1.100476
  C      -6.021257      9.989056      1.848806
  C      -5.246875      9.766234      2.974423
  C      -4.942085      8.463667      3.348040
  F      -4.217448      8.318693      4.473665
  C      -5.392192      7.350007      2.626342
  C      -5.136435      5.906751      2.950032
  O      -5.887675      5.040452      2.486179
  N      -4.008698      5.667705      3.712610
  C      -3.848709      4.408853      4.054511
  C      -6.185640      7.613879      1.513739
  C     -13.223538     -1.275322      2.831907
  C     -12.192487     -1.031078      3.930604
  O     -12.256733     -1.662959      5.008504
  C     -11.100748     -0.035890      3.674004
  C     -10.945066      0.589186      2.413473
  C      -9.902961      1.488417      2.215553
  C      -9.009705      1.758909      3.272214
  F      -8.020094      2.646795      3.031186
  C      -9.140187      1.183634      4.544835
  C      -8.253161      1.504465      5.738626
  O      -8.754178      1.488797      6.887367
  N      -6.927194      1.713931      5.418778
  C      -6.192993      2.178349      6.418457
  C     -10.206210      0.292376      4.719269
  H      -4.976279      4.908220     -1.375381
  H      -3.172932      4.814525     -1.465767
  H      -4.220458      3.521846     -2.204442
  H      -6.438739      2.840034     -1.534977
  H      -8.043480      0.992384     -1.012023
  H      -4.125383     -1.722189      4.530177
  H      -4.180993      1.839482      1.990817
  H      -8.343793     10.914735      0.368112
  H      -6.953499     11.119686     -0.700494
  H      -8.454036     10.402467     -1.341326
  H      -6.249817     11.008831      1.558936
  H      -4.877496     10.587194      3.581279
  H      -4.647321      3.635924      3.748296
  H      -6.586813      6.767731      0.961634
  H     -13.998966     -1.954396      3.220906
  H     -12.756179     -1.741593      1.937953
  H     -13.675580     -0.323114      2.498609
  H     -11.631740      0.366598      1.584593
  H      -9.760607      1.981818      1.266140
  H      -6.670420      2.460997      7.371529
  H     -10.344845     -0.160087      5.708778
  N      -2.040718      1.827390      2.952976
  H      -1.946252      0.857426      2.654242
  H      -1.107588      2.159691      3.183533
  H      -2.333700      2.364832      2.122337
90
Coordinates from ORCA-job orca E -6655.875093965750
  N      -3.203051      0.053897      5.372856
  Mo     -3.576472      1.965584      4.750864
  N      -4.898709      2.360477      6.330418
  C      -4.264006      3.050708      7.451482
  C      -2.923039      2.407970      7.752861
  N      -2.134718      2.121029      6.496404
  C      -1.406659      0.818616      6.641867
  C      -2.399078     -0.322717      6.498524
  C      -1.155205      3.210229      6.205777
  C      -1.879884      4.422925      5.631970
  N      -2.913797      3.856692      4.813446
  H      -1.882159     -1.284631      6.357078
  H      -3.028973     -0.415830      7.397635
  H      -0.683576      0.770112      5.818951
  H      -0.865824      0.780252      7.597727
  H      -2.314290      5.066021      6.413670
  H      -1.191642      5.047397      5.044260
  H      -0.582663      3.458377      7.110453
  H      -0.461081      2.816060      5.454822
  H      -4.889426      3.008709      8.356847
  H      -4.135504      4.115796      7.200321
  H      -3.092873      1.451618      8.260035
  H      -2.321117      3.039388      8.419309
  C      -4.411662      4.210031     -1.539217
  C      -4.269549      3.463254     -0.212361
  O      -3.292963      3.683290      0.562090
  C      -5.272579      2.420452      0.117249
  C      -6.368761      2.125381     -0.707235
  C      -7.195548      1.071129     -0.381942
  C      -6.926140      0.286550      0.750307
  F      -7.736695     -0.741936      0.995894
  C      -5.859494      0.556611      1.617798
  C      -5.445745     -0.346736      2.742208
  O      -5.804176     -1.516198      2.803681
  N      -4.537073      0.191659      3.648687
  C      -3.959197     -0.644785      4.542268
  C      -5.076047      1.650971      1.276442
  C      -7.690031     10.617209     -0.437943
  C      -7.227425      9.209114     -0.131991
  O      -7.504927      8.279668     -0.888758
  C      -6.424235      8.979906      1.108861
  C      -5.947359     10.036378      1.907189
  C      -5.192195      9.768991      3.043648
  C      -4.905980      8.448378      3.380743
  F      -4.201415      8.259851      4.515951
  C      -5.356194      7.358879      2.611785
  C      -5.114544      5.903574      2.908058
  O      -5.871797      5.046212      2.410553
  N      -3.998382      5.651237      3.694160
  C      -3.840800      4.396120      4.055118
  C      -6.129497      7.666261      1.486436
  C     -13.120854     -1.350841      2.839265
  C     -12.115384     -1.075322      3.918521
  O     -12.199721     -1.632602      4.955402
  C     -11.034897     -0.081057      3.663535
  C     -10.849631      0.539274      2.415541
  C      -9.815879      1.458937      2.222588
  C      -8.962493      1.748086      3.269993
  F      -7.983309      2.650531      3.045071
  C      -9.119409      1.172266      4.528644
  C      -8.269425      1.507584      5.709906
  O      -8.809898      1.507666      6.828027
  N      -6.938025      1.721982      5.412943
  C      -6.216333      2.197250      6.411477
  C     -10.178766      0.266569      4.696550
  H      -5.308036      4.824820     -1.546081
  H      -3.529882      4.841470     -1.701723
  H      -4.519533      3.511654     -2.385571
  H      -6.576380      2.714354     -1.608691
  H      -8.048682      0.823216     -1.006037
  H      -4.127389     -1.733053      4.572358
  H      -4.247594      1.899980      1.931984
  H      -8.241070     11.045723      0.412624
  H      -6.822219     11.273222     -0.627400
  H      -8.330450     10.601582     -1.328537
  H      -6.161997     11.071885      1.646868
  H      -4.823898     10.569733      3.687592
  H      -4.630567      3.622824      3.747959
  H      -6.527388      6.839635      0.896504
  H     -13.899747     -2.013948      3.215423
  H     -12.628983     -1.818952      1.995221
  H     -13.574170     -0.432592      2.483013
  H     -11.508271      0.306866      1.590298
  H      -9.657333      1.967636      1.267888
  H      -6.707468      2.490379      7.357179
  H     -10.337019     -0.181388      5.673178
  N      -2.026139      1.792933      3.001613
  H      -1.929323      0.816894      2.710949
  H      -1.094961      2.123283      3.241664
  H      -2.310167      2.324471      2.164874
90
Coordinates from ORCA-job orca E -6670.628173945040
  N      -3.173556      0.033272      5.389169
  Mo     -3.577550      1.928675      4.717811
  N      -4.908939      2.347390      6.289453
  C      -4.281971      3.080619      7.402333
  C      -2.927570      2.470431      7.743752
  N      -2.121177      2.162957      6.491773
  C      -1.374312      0.864695      6.665075
  C      -2.358495     -0.299135      6.533903
  C      -1.157622      3.273663      6.165766
  C      -1.912197      4.459195      5.546604
  N      -2.939097      3.845867      4.734972
  H      -1.818160     -1.255214      6.414738
  H      -2.987181     -0.386710      7.436867
  H      -0.648954      0.814578      5.844167
  H      -0.833319      0.861917      7.631217
  H      -2.360957      5.121532      6.312899
  H      -1.227320      5.081329      4.944800
  H      -0.589366      3.559082      7.072646
  H      -0.456306      2.862889      5.426209
  H      -4.909653      3.052449      8.309876
  H      -4.168381      4.145896      7.122464
  H      -3.081183      1.518954      8.272911
  H      -2.334050      3.133686      8.398944
  C      -4.382665      4.110858     -1.467618
  C      -4.219650      3.341859     -0.167360
  O      -3.243024      3.541179      0.590505
  C      -5.212273      2.311034      0.162613
  C      -6.310665      2.030918     -0.642557
  C      -7.145201      0.984697     -0.306178
  C      -6.878600      0.194990      0.818584
  F      -7.710632     -0.823037      1.083418
  C      -5.802720      0.453567      1.667165
  C      -5.400770     -0.446366      2.793661
  O      -5.784102     -1.621500      2.876151
  N      -4.506431      0.105568      3.673341
  C      -3.921810     -0.695264      4.577187
  C      -5.009455      1.537736      1.311882
  C      -7.697978     10.835402     -0.331933
  C      -7.253706      9.393072     -0.118354
  O      -7.552911      8.509641     -0.939737
  C      -6.442461      9.074538      1.113662
  C      -5.950608     10.085389      1.973389
  C      -5.191820      9.744810      3.097998
  C      -4.918428      8.396294      3.364033
  F      -4.212032      8.133749      4.490214
  C      -5.383128      7.348919      2.535643
  C      -5.147735      5.876888      2.778252
  O      -5.912247      5.033701      2.260096
  N      -4.041758      5.607944      3.578079
  C      -3.876515      4.355537      3.958541
  C      -6.158662      7.727589      1.420151
  C     -13.150594     -1.308877      2.825875
  C     -12.130727     -1.074637      3.912988
  O     -12.181970     -1.709284      4.977124
  C     -11.060499     -0.073946      3.646375
  C     -10.895863      0.566467      2.391071
  C      -9.872584      1.488020      2.180001
  C      -9.008394      1.760213      3.216438
  F      -8.049261      2.676963      2.963557
  C      -9.140705      1.152763      4.496454
  C      -8.282316      1.464899      5.683250
  O      -8.816022      1.466499      6.796843
  N      -6.953113      1.678066      5.386156
  C      -6.229205      2.170844      6.372578
  C     -10.191988      0.247922      4.677885
  H      -5.274835      4.740568     -1.450223
  H      -3.517705      4.724654     -1.620105
  H      -4.503935      3.441185     -2.310844
  H      -6.523643      2.624928     -1.534553
  H      -8.008410      0.748942     -0.913216
  H      -4.072735     -1.774563      4.637581
  H      -4.184475      1.776569      1.954556
  H      -8.240296     11.218954      0.550792
  H      -6.821032     11.491459     -0.482193
  H      -8.346359     10.889737     -1.224778
  H      -6.156835     11.144297      1.769859
  H      -4.811748     10.509345      3.788203
  H      -4.653432      3.566569      3.667158
  H      -6.566286      6.935112      0.784315
  H     -13.919525     -1.988672      3.213147
  H     -12.662568     -1.767484      1.940118
  H     -13.618826     -0.354639      2.493725
  H     -11.565324      0.348382      1.571169
  H      -9.734562      2.021436      1.205314
  H      -6.723811      2.481462      7.312624
  H     -10.333111     -0.215127      5.662027
  N      -2.020188      1.741362      2.973986
  H      -1.908221      0.753640      2.703585
  H      -1.084404      2.096766      3.209440
  H      -2.316037      2.254560      2.120409
90
Coordinates from ORCA-job orca E -6670.631489131306
  N      -3.181388      0.037559      5.349630
  Mo     -3.587620      1.930955      4.694456
  N      -4.881657      2.345845      6.293856
  C      -4.235752      3.063170      7.395883
  C      -2.882138      2.449364      7.713937
  N      -2.094341      2.147309      6.448939
  C      -1.356238      0.849274      6.598422
  C      -2.350962     -0.304372      6.474393
  C      -1.134059      3.254722      6.107260
  C      -1.892026      4.442513      5.506531
  N      -2.936898      3.844462      4.709629
  H      -1.815933     -1.258053      6.338629
  H      -2.966213     -0.396609      7.388804
  H      -0.645447      0.805418      5.764383
  H      -0.802493      0.838719      7.551837
  H      -2.320628      5.099304      6.282629
  H      -1.210036      5.061673      4.898036
  H      -0.552848      3.528550      7.003438
  H      -0.449775      2.841971      5.355478
  H      -4.847670      3.029178      8.314357
  H      -4.121851      4.126482      7.122778
  H      -3.028228      1.495365      8.234345
  H      -2.275660      3.102257      8.360608
  C      -4.045729      4.142679     -1.257761
  C      -4.002462      3.332719     -0.002330
  O      -3.068999      3.445921      0.776970
  C      -5.097263      2.353273      0.251548
  C      -6.221739      2.146935     -0.587787
  C      -7.149236      1.127340     -0.300437
  C      -6.943619      0.297985      0.798178
  F      -7.849039     -0.689846      1.010186
  C      -5.846057      0.489906      1.672596
  C      -5.475916     -0.435318      2.776542
  O      -5.890572     -1.609450      2.837656
  N      -4.549189      0.116829      3.656177
  C      -3.950059     -0.685547      4.549097
  C      -4.971764      1.542618      1.371538
  C      -7.853968     10.620365     -0.373258
  C      -7.368873      9.215112     -0.096291
  O      -7.657485      8.292070     -0.848948
  C      -6.529838      8.980919      1.112756
  C      -6.043072     10.030924      1.907056
  C      -5.254577      9.754835      3.016594
  C      -4.946890      8.432178      3.329664
  F      -4.208719      8.235285      4.442970
  C      -5.406647      7.348950      2.562141
  C      -5.147935      5.892709      2.833054
  O      -5.903083      5.043605      2.356238
  N      -4.029756      5.631620      3.600653
  C      -3.879315      4.371525      3.956896
  C      -6.211957      7.666039      1.464713
  C     -13.228511     -1.243823      2.781965
  C     -12.196169     -1.011638      3.874574
  O     -12.260450     -1.652112      4.943355
  C     -11.106567     -0.017575      3.632986
  C     -10.953693      0.616872      2.397375
  C      -9.920426      1.522419      2.205613
  C      -9.026515      1.783784      3.255128
  F      -8.047581      2.682880      3.020270
  C      -9.147277      1.182721      4.518228
  C      -8.257927      1.478234      5.712926
  O      -8.752327      1.444785      6.857265
  N      -6.934903      1.696232      5.401823
  C      -6.198339      2.173137      6.393435
  C     -10.208906      0.291275      4.680000
  H      -4.913676      4.840796     -1.248199
  H      -3.109061      4.715513     -1.360301
  H      -4.178075      3.474285     -2.131689
  H      -6.381706      2.772811     -1.461511
  H      -8.029801      0.949401     -0.931585
  H      -4.106999     -1.767196      4.607598
  H      -4.129404      1.721552      2.038093
  H      -8.384178     11.034787      0.495264
  H      -7.004399     11.286206     -0.580139
  H      -8.517073     10.605085     -1.241272
  H      -6.275664     11.067582      1.665579
  H      -4.876441     10.548842      3.658515
  H      -4.672920      3.594825      3.669406
  H      -6.617397      6.845794      0.876064
  H     -14.001743     -1.918328      3.157183
  H     -12.760908     -1.695009      1.901508
  H     -13.682121     -0.306629      2.457511
  H     -11.642736      0.404923      1.572648
  H      -9.785368      2.036851      1.262472
  H      -6.677146      2.473387      7.342895
  H     -10.344723     -0.174840      5.654766
  N      -2.068463      1.743430      2.916679
  H      -1.969736      0.763164      2.639259
  H      -1.128547      2.088789      3.132472
  H      -2.375347      2.262630      2.075046
90
Coordinates from ORCA-job orca E -6670.630319979912
  N      -3.174307      0.052463      5.383920
  Mo     -3.564777      1.948433      4.738448
  N      -4.860905      2.370494      6.329716
  C      -4.216931      3.072661      7.431055
  C      -2.877464      2.437362      7.737681
  N      -2.091615      2.135725      6.481901
  C      -1.367358      0.835954      6.628621
  C      -2.357805     -0.305031      6.499782
  C      -1.125254      3.224647      6.155909
  C      -1.860090      4.419796      5.564808
  N      -2.899932      3.845702      4.762705
  H      -1.831103     -1.259918      6.358298
  H      -2.974704     -0.399828      7.407330
  H      -0.651413      0.785292      5.799744
  H      -0.822319      0.810114      7.577711
  H      -2.286805      5.073356      6.337925
  H      -1.172247      5.033314      4.966472
  H      -0.548153      3.488986      7.049022
  H      -0.441526      2.811801      5.406847
  H      -4.832833      3.043465      8.343848
  H      -4.089796      4.131616      7.166248
  H      -3.038921      1.484350      8.249338
  H      -2.272053      3.075327      8.389215
  C      -4.335795      4.116342     -1.415674
  C      -4.233107      3.332787     -0.120842
  O      -3.266050      3.470348      0.627778
  C      -5.275612      2.341062      0.204138
  C      -6.386849      2.081128     -0.617369
  C      -7.235526      1.050133     -0.286169
  C      -6.975227      0.260758      0.839509
  F      -7.799261     -0.743376      1.085815
  C      -5.892784      0.502812      1.697714
  C      -5.465343     -0.392531      2.816759
  O      -5.828468     -1.554661      2.900979
  N      -4.541571      0.157560      3.692303
  C      -3.946990     -0.660294      4.587815
  C      -5.093127      1.568795      1.354600
  C      -7.851864     10.502321     -0.379580
  C      -7.322980      9.128448     -0.069170
  O      -7.568255      8.189911     -0.797892
  C      -6.494321      8.943460      1.145458
  C      -6.050946     10.011744      1.931399
  C      -5.269998      9.772076      3.047248
  C      -4.927394      8.467807      3.374647
  F      -4.198206      8.310507      4.494483
  C      -5.345610      7.367428      2.612485
  C      -5.063082      5.916577      2.879614
  O      -5.798950      5.063097      2.379341
  N      -3.953876      5.657448      3.658917
  C      -3.825661      4.396658      4.012251
  C      -6.142339      7.651357      1.510720
  C     -13.124485     -1.192268      2.655525
  C     -12.092684     -0.998481      3.764744
  O     -12.148313     -1.642697      4.807184
  C     -11.020892      0.015121      3.554421
  C     -10.857895      0.692605      2.330965
  C      -9.830908      1.614240      2.188550
  C      -8.957289      1.851337      3.274687
  F      -7.985472      2.765451      3.097013
  C      -9.092161      1.220317      4.507653
  C      -8.227499      1.504346      5.713371
  O      -8.740810      1.455004      6.837500
  N      -6.901409      1.735823      5.420395
  C      -6.176199      2.210739      6.420563
  C     -10.143457      0.308196      4.627973
  H      -5.198128      4.773786     -1.408944
  H      -3.421900      4.709569     -1.570209
  H      -4.480235      3.445040     -2.272649
  H      -6.584492      2.673014     -1.516195
  H      -8.091908      0.828986     -0.906710
  H      -4.113834     -1.745557      4.647510
  H      -4.251515      1.787648      2.007982
  H      -8.406542     10.913073      0.473436
  H      -7.022078     11.192421     -0.590469
  H      -8.500138     10.445111     -1.251944
  H      -6.311631     11.033399      1.679012
  H      -4.924414     10.580900      3.683678
  H      -4.626218      3.636468      3.714827
  H      -6.514998      6.818032      0.925532
  H     -13.881018     -1.905617      3.025727
  H     -12.638988     -1.608615      1.722702
  H     -13.612303     -0.214228      2.369695
  H     -11.530919      0.502605      1.478763
  H      -9.686208      2.158795      1.268031
  H      -6.660947      2.508147      7.367117
  H     -10.288965     -0.190580      5.589193
  N      -2.044831      1.739435      2.973399
  H      -1.955632      0.765496      2.690950
  H      -1.112710      2.065531      3.194953
  H      -2.339313      2.264713      2.138118
90
Coordinates from ORCA-job orca E -6670.630714746680
  N      -3.170420      0.038909      5.410528
  Mo     -3.560539      1.928689      4.733861
  N      -4.888692      2.371121      6.295236
  C      -4.265382      3.096369      7.401904
  C      -2.923912      2.468292      7.740051
  N      -2.116514      2.154247      6.501076
  C      -1.385092      0.854292      6.677190
  C      -2.367797     -0.300701      6.547746
  C      -1.149840      3.247780      6.174907
  C      -1.882574      4.433493      5.553833
  N      -2.907078      3.836273      4.741717
  H      -1.829983     -1.255795      6.424872
  H      -2.996543     -0.391568      7.447128
  H      -0.654729      0.797263      5.860228
  H      -0.850651      0.845461      7.642614
  H      -2.327617      5.100614      6.313268
  H      -1.188821      5.044940      4.957288
  H      -0.584333      3.534712      7.078212
  H      -0.449910      2.825667      5.441057
  H      -4.897290      3.079357      8.305208
  H      -4.137617      4.156719      7.123284
  H      -3.089279      1.517429      8.263134
  H      -2.328202      3.121930      8.395916
  C      -4.372489      4.082255     -1.523973
  C      -4.224291      3.308083     -0.224633
  O      -3.204664      3.498858      0.516444
  C      -5.258335      2.288072      0.137348
  C      -6.382768      1.998578     -0.653925
  C      -7.234505      0.961292     -0.287087
  C      -6.957217      0.189601      0.851090
  F      -7.800727     -0.818375      1.140919
  C      -5.856271      0.454231      1.685844
  C      -5.433470     -0.428863      2.825676
  O      -5.817476     -1.593924      2.922249
  N      -4.516976      0.120321      3.704456
  C      -3.930447     -0.685927      4.614141
  C      -5.052473      1.528224      1.300371
  C      -7.793701     10.732623     -0.296342
  C      -7.286340      9.316503     -0.086506
  O      -7.543573      8.428368     -0.908086
  C      -6.468954      9.030103      1.141615
  C      -6.030377     10.053021      2.009891
  C      -5.266593      9.739394      3.132778
  C      -4.937659      8.405887      3.389881
  F      -4.229718      8.168651      4.516737
  C      -5.349931      7.348244      2.552868
  C      -5.070385      5.883161      2.777841
  O      -5.801873      5.028546      2.225841
  N      -3.970527      5.624992      3.590650
  C      -3.826740      4.372007      3.966717
  C      -6.127703      7.700708      1.437645
  C     -13.084961     -1.262115      2.761043
  C     -12.072445     -1.020434      3.843335
  O     -12.123423     -1.639918      4.875546
  C     -11.014784     -0.009723      3.600976
  C     -10.853970      0.651544      2.368724
  C      -9.841994      1.585789      2.183910
  C      -8.984504      1.850977      3.220714
  F      -8.035953      2.780269      2.999397
  C      -9.111293      1.220595      4.470444
  C      -8.250091      1.506515      5.659466
  O      -8.777403      1.466311      6.782328
  N      -6.922182      1.727104      5.368052
  C      -6.207513      2.210200      6.365668
  C     -10.152146      0.306360      4.628906
  H      -5.253070      4.741138     -1.484828
  H      -3.475292      4.681245     -1.683456
  H      -4.521429      3.409570     -2.379477
  H      -6.600015      2.577262     -1.557250
  H      -8.116991      0.718369     -0.883893
  H      -4.093408     -1.767313      4.687585
  H      -4.202874      1.769050      1.929583
  H      -8.356519     11.085784      0.582812
  H      -6.949244     11.429924     -0.440567
  H      -8.436866     10.757457     -1.188815
  H      -6.282662     11.099292      1.814540
  H      -4.926027     10.512268      3.829376
  H      -4.614661      3.603846      3.665949
  H      -6.492111      6.898421      0.790285
  H     -13.847814     -1.954127      3.130022
  H     -12.588391     -1.696765      1.884271
  H     -13.562371     -0.326103      2.439589
  H     -11.517222      0.440503      1.548216
  H      -9.707164      2.126703      1.242009
  H      -6.706065      2.520448      7.301050
  H     -10.287837     -0.175532      5.594810
  N      -2.006470      1.702275      3.001820
  H      -1.907269      0.716746      2.732442
  H      -1.073552      2.039839      3.240393
  H      -2.289860      2.219179      2.152184
90
Coordinates from ORCA-job orca E -6670.629029841673
  N      -3.197490      0.046112      5.387143
  Mo     -3.598207      1.930453      4.709359
  N      -4.890717      2.374038      6.299234
  C      -4.241248      3.100182      7.389756
  C      -2.890873      2.472526      7.690405
  N      -2.115268      2.156352      6.429353
  C      -1.375563      0.865374      6.601976
  C      -2.365312     -0.292649      6.509104
  C      -1.147571      3.247578      6.079066
  C      -1.887599      4.434444      5.477674
  N      -2.936203      3.835985      4.691528
  H      -1.833686     -1.249074      6.376287
  H      -2.975435     -0.376577      7.429086
  H      -0.662379      0.800917      5.767575
  H      -0.816107      0.863212      7.557834
  H      -2.312773      5.100543      6.247562
  H      -1.206515      5.046681      4.859906
  H      -0.557319      3.533908      6.968706
  H      -0.462368      2.829865      5.327457
  H      -4.852356      3.083429      8.309757
  H      -4.118582      4.160488      7.104059
  H      -3.047990      1.524206      8.223429
  H      -2.275581      3.125806      8.334611
  C      -4.191973      4.104092     -1.271833
  C      -4.126171      3.290987     -0.025244
  O      -3.201305      3.407469      0.729036
  C      -5.194153      2.315805      0.261444
  C      -6.291554      2.088858     -0.564763
  C      -7.194557      1.073470     -0.249573
  C      -6.991040      0.265612      0.866784
  F      -7.873373     -0.722571      1.103143
  C      -5.913333      0.474361      1.729371
  C      -5.539909     -0.437209      2.846369
  O      -5.955972     -1.606238      2.929068
  N      -4.593002      0.114874      3.709140
  C      -3.988491     -0.681900      4.611414
  C      -5.062093      1.524673      1.398434
  C      -7.788885     10.751537     -0.337928
  C      -7.326950      9.324876     -0.098098
  O      -7.644102      8.419669     -0.880566
  C      -6.479529      9.049198      1.108138
  C      -5.978132     10.079607      1.927388
  C      -5.187472      9.773081      3.033454
  C      -4.892255      8.439117      3.320933
  F      -4.150796      8.209118      4.428775
  C      -5.364262      7.374751      2.531905
  C      -5.117079      5.911816      2.787646
  O      -5.869764      5.070341      2.270113
  N      -4.004370      5.636210      3.572339
  C      -3.868429      4.376681      3.937259
  C      -6.170894      7.720070      1.434718
  C     -13.107585     -1.378882      2.716371
  C     -12.104978     -1.126276      3.816552
  O     -12.180905     -1.777742      4.857939
  C     -11.039111     -0.076987      3.600792
  C     -10.884390      0.622608      2.368347
  C      -9.876490      1.589243      2.199776
  C      -9.011081      1.843786      3.259436
  F      -8.061151      2.802145      3.050672
  C      -9.132578      1.177712      4.515315
  C      -8.264797      1.456234      5.721466
  O      -8.777450      1.371648      6.874478
  N      -6.939497      1.715411      5.404104
  C      -6.209585      2.204626      6.393087
  C     -10.171247      0.230852      4.655400
  H      -5.050121      4.790421     -1.261884
  H      -3.289376      4.676921     -1.384295
  H      -4.322826      3.449473     -2.123817
  H      -6.454454      2.696628     -1.452150
  H      -8.058866      0.879816     -0.873552
  H      -4.156893     -1.762076      4.693405
  H      -4.229712      1.717043      2.051940
  H      -8.309718     11.156269      0.543684
  H      -6.926356     11.408427     -0.531424
  H      -8.459713     10.770824     -1.206543
  H      -6.202142     11.125483      1.707513
  H      -4.797976     10.551397      3.692205
  H      -4.675068      3.614680      3.651389
  H      -6.585166      6.912858      0.826917
  H     -13.872061     -2.081991      3.064407
  H     -12.614920     -1.800680      1.854841
  H     -13.572445     -0.466273      2.399863
  H     -11.553554      0.419343      1.530872
  H      -9.747153      2.162177      1.254852
  H      -6.692676      2.507340      7.339980
  H     -10.305228     -0.280826      5.623486
  N      -2.079648      1.702225      2.938202
  H      -1.989766      0.716300      2.667609
  H      -1.133738      2.040385      3.156489
  H      -2.379441      2.220388      2.090416
90
Coordinates from ORCA-job orca E -6670.631023241765
  N      -3.159459      0.045493      5.388840
  Mo     -3.574198      1.925602      4.711191
  N      -4.864096      2.365938      6.300344
  C      -4.215891      3.096594      7.386672
  C      -2.861612      2.475920      7.684847
  N      -2.088802      2.162502      6.423569
  C      -1.339297      0.878617      6.596922
  C      -2.321028     -0.286812      6.507431
  C      -1.128363      3.258038      6.071154
  C      -1.878769      4.440980      5.469781
  N      -2.927021      3.834947      4.686286
  H      -1.783538     -1.239038      6.373474
  H      -2.928058     -0.374478      7.428226
  H      -0.627408      0.815554      5.762999
  H      -0.778201      0.880316      7.548336
  H      -2.306854      5.104690      6.238468
  H      -1.204029      5.057129      4.850240
  H      -0.538078      3.548802      6.956763
  H      -0.442266      2.845267      5.320065
  H      -4.824938      3.079445      8.307079
  H      -4.099527      4.155836      7.098004
  H      -3.014034      1.529593      8.219701
  H      -2.250541      3.131863      8.326402
  C      -4.170579      4.058087     -1.251211
  C      -4.070706      3.244003      0.009198
  O      -3.083295      3.341150      0.759442
  C      -5.160994      2.280499      0.301922
  C      -6.291705      2.061978     -0.522000
  C      -7.204423      1.050893     -0.210244
  C      -6.985608      0.242004      0.899568
  F      -7.876433     -0.742442      1.135022
  C      -5.883036      0.447215      1.759585
  C      -5.499578     -0.460892      2.872501
  O      -5.910321     -1.630530      2.960217
  N      -4.558785      0.101360      3.723779
  C      -3.948055     -0.684653      4.622845
  C      -5.016577      1.490901      1.431772
  C      -7.903724     10.631445     -0.313114
  C      -7.400255      9.229571     -0.057335
  O      -7.690669      8.310861     -0.813785
  C      -6.541528      8.992338      1.137253
  C      -6.061232     10.036088      1.942614
  C      -5.257527      9.754371      3.039673
  C      -4.929127      8.432157      3.330650
  F      -4.175183      8.227880      4.431961
  C      -5.381654      7.355610      2.551607
  C      -5.107525      5.899848      2.802152
  O      -5.841284      5.051458      2.297512
  N      -3.996544      5.633361      3.578010
  C      -3.861524      4.373254      3.936642
  C      -6.200491      7.678374      1.465841
  C     -13.166716     -1.187280      2.607726
  C     -12.140803     -1.001352      3.731620
  O     -12.201728     -1.711208      4.786573
  C     -11.060525      0.021996      3.542596
  C     -10.915828      0.711261      2.335095
  C      -9.893609      1.634392      2.192609
  C      -9.000821      1.857286      3.266058
  F      -8.032403      2.779366      3.080940
  C      -9.114776      1.205658      4.497453
  C      -8.226674      1.467482      5.698045
  O      -8.709966      1.406534      6.813251
  N      -6.909844      1.706845      5.399493
  C      -6.180337      2.193376      6.393642
  C     -10.165734      0.295805      4.613956
  H      -5.038651      4.746946     -1.203014
  H      -3.235309      4.631770     -1.387857
  H      -4.341328      3.400465     -2.134996
  H      -6.462546      2.670894     -1.405490
  H      -8.085293      0.863603     -0.832307
  H      -4.108894     -1.761125      4.709577
  H      -4.161287      1.676315      2.081966
  H      -8.429274     11.031055      0.565186
  H      -7.064024     11.308204     -0.522291
  H      -8.576913     10.617109     -1.173019
  H      -6.311399     11.071973      1.719940
  H      -4.882824     10.542765      3.689185
  H      -4.664629      3.611106      3.651972
  H      -6.599269      6.863067      0.867242
  H     -13.927763     -1.897647      2.949250
  H     -12.692213     -1.589748      1.691385
  H     -13.634462     -0.226996      2.330148
  H     -11.603232      0.529210      1.493113
  H      -9.765723      2.195797      1.270726
  H      -6.665426      2.499591      7.337503
  H     -10.296780     -0.213671      5.567046
  N      -2.062267      1.695462      2.940795
  H      -1.967938      0.712318      2.672438
  H      -1.120087      2.036968      3.156240
  H      -2.365177      2.208502      2.095205
90
Coordinates from ORCA-job orca E -6670.629266260164
  N      -3.149392      0.039776      5.424111
  Mo     -3.545312      1.926718      4.751339
  N      -4.864858      2.367898      6.313331
  C      -4.238771      3.091216      7.416395
  C      -2.893308      2.463760      7.742327
  N      -2.094192      2.153748      6.497753
  C      -1.356118      0.859399      6.674299
  C      -2.335378     -0.297785      6.554390
  C      -1.129219      3.245184      6.169283
  C      -1.867745      4.430664      5.554203
  N      -2.896866      3.832718      4.748473
  H      -1.796191     -1.249848      6.424556
  H      -2.955414     -0.391024      7.457752
  H      -0.629935      0.799504      5.855727
  H      -0.818115      0.853993      7.632473
  H      -2.310571      5.094033      6.315266
  H      -1.181887      5.044656      4.954176
  H      -0.558886      3.530954      7.065314
  H      -0.432038      2.828854      5.433051
  H      -4.865923      3.072352      8.321276
  H      -4.113058      4.150014      7.138430
  H      -3.057308      1.514618      8.264642
  H      -2.296372      3.112048      8.396736
  C      -4.464789      4.064794     -1.508492
  C      -4.284950      3.282832     -0.213532
  O      -3.250184      3.475440      0.512756
  C      -5.304906      2.267872      0.167558
  C      -6.442272      1.974540     -0.615615
  C      -7.283167      0.945233     -0.237247
  C      -6.988197      0.182765      0.901415
  F      -7.820542     -0.818532      1.199590
  C      -5.877647      0.450232      1.728944
  C      -5.443773     -0.426613      2.870702
  O      -5.822126     -1.582600      2.981239
  N      -4.519843      0.118661      3.734856
  C      -3.923253     -0.685876      4.642429
  C      -5.083072      1.516737      1.333485
  C      -7.852674     10.605246     -0.310449
  C      -7.322593      9.212489     -0.058429
  O      -7.566591      8.303041     -0.832626
  C      -6.493920      8.975576      1.159104
  C      -6.063603     10.018528      1.995708
  C      -5.287621      9.741062      3.111536
  C      -4.938800      8.423412      3.391386
  F      -4.216872      8.224501      4.511663
  C      -5.344613      7.346645      2.581162
  C      -5.050683      5.890352      2.816545
  O      -5.765377      5.033697      2.270094
  N      -3.953282      5.634341      3.620793
  C      -3.815642      4.378861      3.982331
  C      -6.133857      7.666039      1.475885
  C     -13.038438     -1.151853      2.619477
  C     -12.035378     -0.946902      3.727076
  O     -12.085535     -1.579573      4.741520
  C     -10.982572      0.060350      3.528500
  C     -10.830430      0.744004      2.326583
  C      -9.826580      1.670449      2.178823
  C      -8.962919      1.902612      3.235886
  F      -8.019535      2.825247      3.053060
  C      -9.079749      1.247374      4.456672
  C      -8.212801      1.492260      5.658611
  O      -8.729666      1.398119      6.802794
  N      -6.889573      1.731319      5.369971
  C      -6.181912      2.201206      6.380409
  C     -10.113267      0.339369      4.579868
  H      -5.336424      4.719869     -1.457811
  H      -3.573743      4.669709     -1.684628
  H      -4.625574      3.398285     -2.360584
  H      -6.672600      2.547177     -1.519883
  H      -8.171861      0.700416     -0.823803
  H      -4.089074     -1.768780      4.723763
  H      -4.224156      1.758690      1.954081
  H      -8.415198     10.977597      0.559252
  H      -7.020616     11.308260     -0.483816
  H      -8.500641     10.588716     -1.193477
  H      -6.331880     11.052200      1.781179
  H      -4.950901     10.529967      3.785693
  H      -4.609316      3.620789      3.679854
  H      -6.492444      6.850012      0.849755
  H     -13.805798     -1.850054      2.955060
  H     -12.533117     -1.562495      1.716370
  H     -13.512475     -0.184193      2.323557
  H     -11.497004      0.557827      1.494332
  H      -9.693925      2.227614      1.265764
  H      -6.686061      2.501538      7.317045
  H     -10.246927     -0.169832      5.528946
  N      -2.001476      1.693248      3.015982
  H      -1.904645      0.712530      2.743828
  H      -1.071857      2.025342      3.248630
  H      -2.289070      2.211943      2.171441
90
Coordinates from ORCA-job orca E -6670.633537656635
  N      -3.189753      0.049503      5.430038
  Mo     -3.579709      1.927691      4.731608
  N      -4.888443      2.400863      6.296980
  C      -4.248579      3.132944      7.386765
  C      -2.906744      2.496269      7.702776
  N      -2.121830      2.164929      6.453674
  C      -1.385158      0.875378      6.649889
  C      -2.369004     -0.282463      6.556920
  C      -1.147516      3.244803      6.108829
  C      -1.873520      4.429884      5.487477
  N      -2.914579      3.830577      4.695040
  H      -1.836939     -1.238704      6.431046
  H      -2.984445     -0.361864      7.468932
  H      -0.662057      0.796757      5.827722
  H      -0.838917      0.882040      7.608507
  H      -2.306194      5.105084      6.245399
  H      -1.186724      5.032621      4.872677
  H      -0.567354      3.536386      6.999537
  H      -0.454281      2.817752      5.370675
  H      -4.868705      3.130386      8.299358
  H      -4.116047      4.187716      7.092501
  H      -3.078078      1.555410      8.239580
  H      -2.297544      3.146405      8.349830
  C      -4.382759      4.042277     -1.405285
  C      -4.247309      3.242854     -0.132879
  O      -3.282243      3.387890      0.600195
  C      -5.298433      2.252883      0.215356
  C      -6.425664      1.979658     -0.580719
  C      -7.294149      0.957010     -0.216130
  C      -7.034495      0.185556      0.923733
  F      -7.884177     -0.811834      1.205602
  C      -5.934421      0.438064      1.761692
  C      -5.524134     -0.440350      2.903549
  O      -5.921672     -1.600522      3.015334
  N      -4.581010      0.116054      3.755587
  C      -3.988126     -0.678962      4.668251
  C      -5.110407      1.493624      1.376801
  C      -7.795416     10.772117     -0.264278
  C      -7.299358      9.354506     -0.051992
  O      -7.589135      8.461767     -0.850295
  C      -6.452386      9.071715      1.149912
  C      -5.983508     10.093035      1.998542
  C      -5.194569      9.778326      3.100748
  C      -4.870608      8.445043      3.355548
  F      -4.133180      8.208479      4.462222
  C      -5.311967      7.389199      2.535034
  C      -5.043663      5.921492      2.752542
  O      -5.777227      5.080654      2.195572
  N      -3.946855      5.641667      3.559270
  C      -3.830090      4.382113      3.928182
  C      -6.114337      7.744180      1.441913
  C     -13.008165     -1.381979      2.646989
  C     -12.013704     -1.128879      3.740121
  O     -12.064733     -1.790462      4.758344
  C     -10.975947     -0.052563      3.537040
  C     -10.822510      0.679987      2.323400
  C      -9.828122      1.669885      2.181872
  C      -8.978156      1.916261      3.243134
  F      -8.039768      2.893695      3.067841
  C      -9.102849      1.225184      4.468743
  C      -8.245522      1.493371      5.667501
  O      -8.762730      1.412915      6.774317
  N      -6.922680      1.753637      5.377887
  C      -6.206816      2.246119      6.372503
  C     -10.127267      0.256296      4.585941
  H      -5.256256      4.717634     -1.337951
  H      -3.456458      4.627557     -1.575329
  H      -4.569456      3.370774     -2.277892
  H      -6.629988      2.558290     -1.485358
  H      -8.174386      0.725822     -0.815878
  H      -4.165697     -1.758806      4.765455
  H      -4.248060      1.719183      2.001290
  H      -8.331113     11.142533      0.622372
  H      -6.949062     11.456662     -0.438164
  H      -8.460509     10.792497     -1.136105
  H      -6.232128     11.138034      1.804484
  H      -4.828717     10.549210      3.782422
  H      -4.638590      3.631550      3.633243
  H      -6.502173      6.944061      0.807659
  H     -13.756429     -2.126227      2.997221
  H     -12.484191     -1.772079      1.753913
  H     -13.516253     -0.448399      2.355261
  H     -11.476359      0.479466      1.485821
  H      -9.695958      2.257403      1.265471
  H      -6.700591      2.559082      7.308990
  H     -10.263141     -0.274652      5.533931
  N      -2.044928      1.659282      2.987161
  H      -1.959651      0.672663      2.725814
  H      -1.106281      1.986959      3.215091
  H      -2.328078      2.172251      2.133546
90
Coordinates from ORCA-job orca E -6670.632143790674
  N      -3.138180      0.039058      5.415635
  Mo     -3.563638      1.908971      4.710465
  N      -4.859511      2.369002      6.287213
  C      -4.215437      3.115424      7.368812
  C      -2.858057      2.500410      7.672480
  N      -2.085514      2.176074      6.412720
  C      -1.322707      0.899193      6.611055
  C      -2.295435     -0.277342      6.537948
  C      -1.125984      3.272829      6.050261
  C      -1.877965      4.447720      5.431482
  N      -2.925427      3.826383      4.652023
  H      -1.751710     -1.228502      6.411426
  H      -2.900906     -0.359979      7.460718
  H      -0.605315      0.825308      5.781595
  H      -0.761427      0.920501      7.566662
  H      -2.311335      5.121544      6.191486
  H      -1.205307      5.059798      4.804231
  H      -0.535635      3.578511      6.935138
  H      -0.434088      2.853237      5.305644
  H      -4.825751      3.108044      8.289426
  H      -4.101394      4.173309      7.067245
  H      -3.010302      1.557421      8.217109
  H      -2.247342      3.163275      8.312195
  C      -4.203537      4.003747     -1.224059
  C      -4.093606      3.178144      0.018194
  O      -3.120887      3.265392      0.743299
  C      -5.178500      2.222080      0.328166
  C      -6.301842      2.004446     -0.475941
  C      -7.210445      1.000720     -0.144392
  C      -6.990245      0.198457      0.970037
  F      -7.877457     -0.780936      1.225499
  C      -5.890208      0.403161      1.810635
  C      -5.502330     -0.496177      2.928747
  O      -5.925046     -1.664640      3.033420
  N      -4.553112      0.072572      3.763819
  C      -3.938580     -0.701525      4.670630
  C      -5.028049      1.437203      1.460213
  C      -7.921382     10.730073     -0.257904
  C      -7.418206      9.313539     -0.053089
  O      -7.720147      8.415651     -0.850300
  C      -6.551059      9.035894      1.136776
  C      -6.073433     10.060285      1.977197
  C      -5.264988      9.748292      3.068941
  C      -4.929942      8.414725      3.321666
  F      -4.172800      8.177655      4.417803
  C      -5.378395      7.356689      2.510515
  C      -5.098210      5.893269      2.729611
  O      -5.826877      5.048040      2.191679
  N      -3.993300      5.620598      3.523744
  C      -3.858398      4.361067      3.893550
  C      -6.200859      7.707816      1.427511
  C     -13.144804     -1.177921      2.557593
  C     -12.116479     -0.993746      3.675981
  O     -12.167044     -1.707345      4.717616
  C     -11.048280      0.032024      3.497077
  C     -10.911276      0.750458      2.292926
  C      -9.896584      1.687352      2.167274
  C      -9.009217      1.898135      3.239546
  F      -8.052277      2.831038      3.069289
  C      -9.113537      1.213252      4.467605
  C      -8.226978      1.448557      5.681026
  O      -8.724124      1.318777      6.849131
  N      -6.905121      1.711203      5.375903
  C      -6.178727      2.195518      6.372267
  C     -10.155951      0.289690      4.569169
  H      -5.062041      4.693794     -1.154442
  H      -3.282898      4.565568     -1.368658
  H      -4.390239      3.364936     -2.097124
  H      -6.475878      2.607960     -1.362250
  H      -8.088059      0.812672     -0.753117
  H      -4.099686     -1.775193      4.779450
  H      -4.168289      1.620384      2.090325
  H      -8.444778     11.100518      0.636445
  H      -7.081803     11.415292     -0.445430
  H      -8.598917     10.747164     -1.118962
  H      -6.329916     11.105002      1.785577
  H      -4.892309     10.520855      3.743386
  H      -4.662056      3.599829      3.609898
  H      -6.593796      6.906326      0.802304
  H     -13.893367     -1.887240      2.895647
  H     -12.673822     -1.569422      1.656710
  H     -13.621563     -0.238111      2.280797
  H     -11.597243      0.580013      1.446996
  H      -9.775235      2.268447      1.249389
  H      -6.667276      2.502535      7.314423
  H     -10.280301     -0.236487      5.514684
  N      -2.044075      1.651041      2.946464
  H      -1.950435      0.660753      2.690033
  H      -1.097567      1.996059      3.162538
  H      -2.344686      2.156972      2.091452
90
Coordinates from ORCA-job orca E -6670.632996115832
  N      -3.141040      0.033328      5.409092
  Mo     -3.546115      1.911297      4.728372
  N      -4.847615      2.368120      6.297149
  C      -4.209561      3.094706      7.387187
  C      -2.863746      2.465129      7.696024
  N      -2.080256      2.148617      6.444468
  C      -1.335740      0.863189      6.625945
  C      -2.308958     -0.298448      6.527454
  C      -1.117040      3.235746      6.099202
  C      -1.857699      4.416654      5.485281
  N      -2.898259      3.816522      4.694665
  H      -1.766842     -1.246591      6.389702
  H      -2.916324     -0.393919      7.441853
  H      -0.614467      0.795722      5.802280
  H      -0.789772      0.866515      7.577127
  H      -2.292078      5.083642      6.245012
  H      -1.177459      5.026399      4.873451
  H      -0.537593      3.527164      6.985824
  H      -0.426472      2.815034      5.359527
  H      -4.826539      3.082176      8.299416
  H      -4.085062      4.150482      7.102348
  H      -3.027269      1.519070      8.222514
  H      -2.259454      3.111907      8.344243
  C      -4.229569      4.050976     -1.327915
  C      -4.118479      3.238013     -0.064031
  O      -3.083781      3.368111      0.657928
  C      -5.206914      2.268578      0.278554
  C      -6.352472      2.045153     -0.519696
  C      -7.272333      1.049806     -0.170770
  C      -7.038989      0.256412      0.948862
  F      -7.938702     -0.710638      1.220005
  C      -5.918643      0.460820      1.784768
  C      -5.529187     -0.438567      2.909580
  O      -5.946081     -1.597592      3.012056
  N      -4.563825      0.105754      3.756198
  C      -3.948391     -0.695448      4.658491
  C      -5.051014      1.489752      1.421356
  C      -7.975622     10.516015     -0.301264
  C      -7.414540      9.142522     -0.043167
  O      -7.655715      8.219772     -0.797738
  C      -6.560523      8.936577      1.153668
  C      -6.137741      9.989184      1.974252
  C      -5.337499      9.732059      3.074375
  C      -4.958391      8.425171      3.354821
  F      -4.213109      8.246923      4.461631
  C      -5.356838      7.339799      2.559612
  C      -5.042203      5.890519      2.789591
  O      -5.738308      5.033942      2.243526
  N      -3.943891      5.632489      3.584528
  C      -3.819078      4.372098      3.939771
  C      -6.168326      7.640205      1.469705
  C     -13.065989     -1.135986      2.567958
  C     -12.058222     -0.938735      3.680050
  O     -12.103760     -1.634229      4.704508
  C     -11.010728      0.102924      3.500278
  C     -10.885751      0.827331      2.311848
  C      -9.894870      1.771147      2.176923
  C      -9.009336      1.973994      3.246180
  F      -8.077128      2.917840      3.072270
  C      -9.096824      1.279781      4.457877
  C      -8.201291      1.495686      5.655550
  O      -8.685256      1.408272      6.773233
  N      -6.884120      1.734259      5.364722
  C      -6.165839      2.204476      6.372407
  C     -10.120977      0.354578      4.567842
  H      -5.066246      4.742378     -1.287797
  H      -3.329482      4.619184     -1.467674
  H      -4.385673      3.416074     -2.174404
  H      -6.535176      2.643911     -1.411191
  H      -8.172088      0.861672     -0.769055
  H      -4.122890     -1.778736      4.756778
  H      -4.184336      1.672978      2.050467
  H      -8.530037     10.885905      0.572159
  H      -7.163541     11.231906     -0.498135
  H      -8.635412     10.473830     -1.168191
  H      -6.429666     11.012917      1.760659
  H      -5.004921     10.527878      3.735574
  H      -4.622461      3.624705      3.641908
  H      -6.517572      6.818736      0.853795
  H     -13.820511     -1.856094      2.888152
  H     -12.555262     -1.508985      1.664179
  H     -13.555241     -0.188594      2.296545
  H     -11.567597      0.660008      1.475304
  H      -9.782048      2.369378      1.266846
  H      -6.662583      2.509334      7.311829
  H     -10.234346     -0.200887      5.516496
  N      -2.024779      1.646067      2.980829
  H      -1.939823      0.665599      2.711795
  H      -1.087523      1.970298      3.204120
  H      -2.312011      2.161414      2.138401
90
Coordinates from ORCA-job orca E -6670.635561920907
  N      -3.133958      0.039895      5.453706
  Mo     -3.555227      1.905959      4.733229
  N      -4.869158      2.385801      6.290436
  C      -4.234591      3.138295      7.372404
  C      -2.881677      2.524573      7.698523
  N      -2.091485      2.191720      6.452127
  C      -1.333398      0.914518      6.663242
  C      -2.298829     -0.264039      6.582626
  C      -1.134222      3.285765      6.088920
  C      -1.884073      4.450542      5.447153
  N      -2.918928      3.822441      4.663028
  H      -1.745810     -1.210053      6.461728
  H      -2.907207     -0.351005      7.498376
  H      -0.608821      0.839407      5.842636
  H      -0.786905      0.943400      7.621247
  H      -2.327083      5.130308      6.194541
  H      -1.206893      5.056635      4.824492
  H      -0.557216      3.600108      6.974968
  H      -0.436257      2.857883      5.357761
  H      -4.853319      3.137606      8.285088
  H      -4.116909      4.192237      7.066325
  H      -3.040645      1.585105      8.243551
  H      -2.281554      3.189435      8.339691
  C      -4.479494      3.960449     -1.393039
  C      -4.292595      3.154392     -0.120518
  O      -3.268006      3.289802      0.585900
  C      -5.328371      2.172795      0.258956
  C      -6.475909      1.899307     -0.512942
  C      -7.329700      0.885707     -0.127074
  C      -7.042087      0.122589      1.013324
  F      -7.886128     -0.865741      1.320414
  C      -5.923285      0.376922      1.829826
  C      -5.494390     -0.490019      2.976412
  O      -5.876214     -1.643242      3.112809
  N      -4.549215      0.070447      3.802955
  C      -3.937931     -0.703046      4.716860
  C      -5.108061      1.423085      1.420875
  C      -7.846205     10.775164     -0.216799
  C      -7.336108      9.360413     -0.025292
  O      -7.615482      8.477630     -0.831983
  C      -6.485366      9.067335      1.170948
  C      -6.030085     10.076701      2.039919
  C      -5.238547      9.749811      3.135850
  C      -4.899562      8.416531      3.364898
  F      -4.159919      8.169451      4.467182
  C      -5.328529      7.371594      2.522751
  C      -5.045432      5.903665      2.713938
  O      -5.758065      5.065555      2.131290
  N      -3.958504      5.621354      3.526529
  C      -3.840239      4.363708      3.893625
  C      -6.132065      7.739591      1.436046
  C     -12.996044     -1.226519      2.474709
  C     -12.011410     -1.029157      3.607377
  O     -12.075441     -1.701815      4.600714
  C     -10.963307      0.023786      3.461134
  C     -10.804202      0.766599      2.287300
  C      -9.807726      1.741374      2.188634
  C      -8.959137      1.957418      3.260251
  F      -8.019082      2.927030      3.127240
  C      -9.082698      1.243603      4.453303
  C      -8.220783      1.467259      5.661955
  O      -8.728807      1.335789      6.784118
  N      -6.902852      1.737802      5.371127
  C      -6.187339      2.221766      6.368873
  C     -10.109909      0.291145      4.528525
  H      -5.343530      4.644332     -1.286674
  H      -3.553170      4.541075     -1.592510
  H      -4.704164      3.297904     -2.269616
  H      -6.703423      2.471701     -1.416551
  H      -8.224707      0.654278     -0.707282
  H      -4.103253     -1.774899      4.834695
  H      -4.232285      1.648754      2.025936
  H      -8.387549     11.125049      0.675532
  H      -7.005383     11.470654     -0.378119
  H      -8.510921     10.803284     -1.089872
  H      -6.290988     11.121909      1.866679
  H      -4.881722     10.511478      3.832880
  H      -4.639416      3.610705      3.601717
  H      -6.507253      6.948741      0.783347
  H     -13.756766     -1.964959      2.776286
  H     -12.476882     -1.593942      1.564456
  H     -13.477953     -0.266851      2.210611
  H     -11.458794      0.593490      1.440062
  H      -9.671481      2.341998      1.299941
  H      -6.684595      2.534254      7.305407
  H     -10.248848     -0.254648      5.449720
  N      -2.021551      1.623088      2.996027
  H      -1.927598      0.634898      2.743831
  H      -1.084761      1.960571      3.219691
  H      -2.311458      2.125660      2.136958
90
Coordinates from ORCA-job orca E -6670.635194512644
  N      -3.130005      0.032963      5.425727
  Mo     -3.553163      1.897854      4.717565
  N      -4.862410      2.368392      6.275259
  C      -4.228150      3.113679      7.359368
  C      -2.875260      2.494535      7.668758
  N      -2.095816      2.170626      6.415921
  C      -1.328492      0.898417      6.623132
  C      -2.291274     -0.282100      6.547017
  C      -1.137372      3.265155      6.060635
  C      -1.884116      4.436456      5.435062
  N      -2.923649      3.815218      4.649515
  H      -1.741603     -1.228853      6.418330
  H      -2.897799     -0.370855      7.465401
  H      -0.602422      0.823399      5.802373
  H      -0.775059      0.924300      7.579881
  H      -2.326133      5.110534      6.188621
  H      -1.208600      5.047017      4.813721
  H      -0.555691      3.572824      6.946802
  H      -0.437274      2.845647      5.324857
  H      -4.845538      3.108830      8.274141
  H      -4.110372      4.169530      7.058587
  H      -3.034411      1.551927      8.208680
  H      -2.269552      3.152035      8.313884
  C      -4.233165      3.978100     -1.262628
  C      -4.118900      3.151212     -0.022448
  O      -3.153475      3.223147      0.687494
  C      -5.216804      2.208351      0.311035
  C      -6.361341      1.993190     -0.474326
  C      -7.287545      1.005868     -0.110205
  C      -7.065225      0.215896      1.018691
  F      -7.968027     -0.746088      1.303482
  C      -5.942154      0.413377      1.840598
  C      -5.549224     -0.479475      2.969370
  O      -5.991852     -1.634771      3.094269
  N      -4.573183      0.077722      3.791653
  C      -3.950016     -0.702828      4.694989
  C      -5.063339      1.431354      1.457040
  C      -7.904768     10.735751     -0.251435
  C      -7.377913      9.325559     -0.065548
  O      -7.645189      8.441189     -0.888327
  C      -6.533177      9.038109      1.138407
  C      -6.100543     10.053585      2.015629
  C      -5.313179      9.734933      3.119347
  C      -4.956558      8.403616      3.349639
  F      -4.223947      8.159772      4.459670
  C      -5.362571      7.353687      2.503760
  C      -5.066248      5.889609      2.702253
  O      -5.768136      5.040945      2.114656
  N      -3.975139      5.618979      3.521283
  C      -3.847739      4.359568      3.885706
  C      -6.161215      7.711658      1.406349
  C     -13.043491     -1.229484      2.586964
  C     -12.013655     -1.023367      3.669339
  O     -12.024211     -1.724227      4.676874
  C     -10.994959      0.042785      3.475997
  C     -10.887800      0.816829      2.276466
  C      -9.898973      1.789753      2.155359
  C      -9.014927      1.985894      3.212989
  F      -8.085779      2.949803      3.054388
  C      -9.096176      1.252901      4.423264
  C      -8.214287      1.471198      5.623716
  O      -8.714984      1.318448      6.768442
  N      -6.894706      1.731608      5.337965
  C      -6.180663      2.202177      6.346605
  C     -10.111171      0.295949      4.523610
  H      -5.087431      4.662307     -1.191821
  H      -3.317857      4.553436     -1.422744
  H      -4.422865      3.328243     -2.131724
  H      -6.537657      2.587721     -1.369644
  H      -8.180012      0.818453     -0.702802
  H      -4.121428     -1.779069      4.814026
  H      -4.182451      1.610616      2.068544
  H      -8.458604     11.072521      0.637289
  H      -7.075040     11.444669     -0.401818
  H      -8.560434     10.758859     -1.130021
  H      -6.375818     11.096797      1.842793
  H      -4.974526     10.500300      3.821378
  H      -4.648020      3.608427      3.588252
  H      -6.515948      6.916192      0.748814
  H     -13.759710     -1.982245      2.944631
  H     -12.541883     -1.585426      1.664008
  H     -13.590320     -0.288637      2.334707
  H     -11.569486      0.658627      1.437920
  H      -9.803616      2.405629      1.251364
  H      -6.677984      2.506248      7.283710
  H     -10.205980     -0.270213      5.460642
  N      -2.020617      1.616335      2.973174
  H      -1.931653      0.627172      2.716231
  H      -1.078724      1.949420      3.198531
  H      -2.308265      2.126892      2.116811
90
Coordinates from ORCA-job orca E -6670.634593839399
  N      -3.129922      0.032956      5.451882
  Mo     -3.549826      1.893372      4.725182
  N      -4.845477      2.390672      6.287854
  C      -4.200419      3.140046      7.362023
  C      -2.852048      2.517158      7.672410
  N      -2.077003      2.177459      6.419244
  C      -1.319663      0.903057      6.632539
  C      -2.284510     -0.272370      6.569373
  C      -1.118117      3.263363      6.043891
  C      -1.861770      4.428322      5.404763
  N      -2.906740      3.806331      4.631389
  H      -1.736319     -1.219056      6.442984
  H      -2.882986     -0.356189      7.493206
  H      -0.599744      0.819721      5.807811
  H      -0.766427      0.935114      7.585435
  H      -2.295050      5.113249      6.151960
  H      -1.185714      5.027051      4.774035
  H      -0.533375      3.578199      6.923469
  H      -0.426899      2.828460      5.309486
  H      -4.811455      3.145433      8.280661
  H      -4.078654      4.191742      7.053453
  H      -3.013958      1.579688      8.218331
  H      -2.242270      3.176464      8.308912
  C      -4.342394      3.963226     -1.276082
  C      -4.197218      3.141452     -0.021930
  O      -3.156841      3.227832      0.665695
  C      -5.282087      2.192717      0.344426
  C      -6.417199      1.966168     -0.437605
  C      -7.312036      0.975425     -0.070973
  C      -7.072901      0.193476      1.059242
  F      -7.943528     -0.775108      1.344002
  C      -5.967568      0.404881      1.882894
  C      -5.571392     -0.480365      3.015746
  O      -6.002157     -1.634463      3.148148
  N      -4.586397      0.075194      3.830571
  C      -3.965179     -0.707517      4.737534
  C      -5.114738      1.425525      1.495908
  C      -7.957097     10.687485     -0.216382
  C      -7.417840      9.287821     -0.020732
  O      -7.696058      8.392134     -0.815828
  C      -6.544536      9.022399      1.160253
  C      -6.097866     10.044277      2.014788
  C      -5.284564      9.739089      3.099738
  C      -4.916132      8.414877      3.332261
  F      -4.156867      8.187946      4.424968
  C      -5.335397      7.358903      2.504797
  C      -5.030539      5.897450      2.696206
  O      -5.734853      5.055523      2.124082
  N      -3.939084      5.619503      3.503493
  C      -3.828607      4.357194      3.869974
  C      -6.159881      7.705528      1.428664
  C     -12.997714     -1.196106      2.413882
  C     -12.020862     -0.989965      3.549068
  O     -12.079494     -1.762739      4.560025
  C     -10.974378      0.082585      3.427480
  C     -10.831419      0.851810      2.263524
  C      -9.838866      1.823627      2.182768
  C      -8.975684      2.015276      3.263110
  F      -8.038364      2.977568      3.145308
  C      -9.082158      1.277879      4.448771
  C      -8.204199      1.476785      5.662020
  O      -8.699907      1.317383      6.793698
  N      -6.885425      1.756995      5.366542
  C      -6.164932      2.233171      6.368503
  C     -10.106491      0.324750      4.506531
  H      -5.185097      4.653863     -1.190333
  H      -3.431347      4.527222     -1.451629
  H      -4.547659      3.327555     -2.135846
  H      -6.603567      2.553115     -1.338090
  H      -8.194063      0.779220     -0.663386
  H      -4.144041     -1.786329      4.865396
  H      -4.244351      1.611846      2.108302
  H      -8.492462     11.035121      0.679334
  H      -7.134737     11.396168     -0.396740
  H      -8.631981     10.692760     -1.076922
  H      -6.382293     11.081222      1.839886
  H      -4.933915     10.509709      3.785198
  H      -4.638067      3.611879      3.580669
  H      -6.526099      6.906388      0.786776
  H     -13.750166     -1.931528      2.693663
  H     -12.480645     -1.544802      1.546057
  H     -13.477467     -0.286532      2.146126
  H     -11.493607      0.690614      1.415645
  H      -9.714381      2.442010      1.300834
  H      -6.656519      2.542740      7.308357
  H     -10.229111     -0.251317      5.426229
  N      -2.035048      1.579224      2.975958
  H      -1.957204      0.589757      2.727412
  H      -1.091628      1.904262      3.191174
  H      -2.322193      2.081082      2.118423
90
Coordinates from ORCA-job orca E -6670.636308041211
  N      -3.086766      0.025584      5.462823
  Mo     -3.530243      1.880066      4.724797
  N      -4.838213      2.373942      6.278346
  C      -4.202415      3.138705      7.351007
  C      -2.843301      2.536021      7.672910
  N      -2.059013      2.200030      6.423452
  C      -1.283563      0.935243      6.646087
  C      -2.234244     -0.258004      6.585364
  C      -1.114016      3.300346      6.042010
  C      -1.877610      4.450598      5.389233
  N      -2.913542      3.805128      4.616618
  H      -1.668863     -1.196642      6.463971
  H      -2.831123     -0.347932      7.509432
  H      -0.561264      0.858531      5.823115
  H      -0.731802      0.982991      7.600075
  H      -2.322727      5.135542      6.130181
  H      -1.208677      5.055687      4.755894
  H      -0.534497      3.630990      6.920945
  H      -0.415390      2.870397      5.312728
  H      -4.815927      3.141710      8.267236
  H      -4.093509      4.190727      7.035555
  H      -2.994576      1.598677      8.224013
  H      -2.243407      3.207581      8.307770
  C      -4.367521      3.913317     -1.286864
  C      -4.189138      3.080506     -0.036086
  O      -3.123259      3.179232      0.649801
  C      -5.267057      2.129255      0.345920
  C      -6.437164      1.896071     -0.418105
  C      -7.336010      0.907861     -0.031160
  C      -7.069020      0.133787      1.099733
  F      -7.956661     -0.828545      1.411432
  C      -5.927513      0.352302      1.906304
  C      -5.512558     -0.521044      3.046719
  O      -5.926395     -1.670998      3.196995
  N      -4.541070      0.037626      3.848503
  C      -3.912614     -0.725745      4.758638
  C      -5.069816      1.369994      1.496775
  C      -7.991757     10.679439     -0.179704
  C      -7.438946      9.284226      0.003365
  O      -7.699887      8.397548     -0.793922
  C      -6.568132      9.013059      1.182408
  C      -6.135242     10.025690      2.051938
  C      -5.324201      9.712552      3.133792
  C      -4.944950      8.389649      3.347987
  F      -4.187486      8.156459      4.439050
  C      -5.351841      7.341955      2.502716
  C      -5.034562      5.881568      2.675089
  O      -5.721803      5.041521      2.091334
  N      -3.954229      5.604193      3.487208
  C      -3.839046      4.344315      3.850689
  C      -6.173715      7.697703      1.431089
  C     -13.031597     -1.062892      2.347792
  C     -12.036009     -0.923286      3.503490
  O     -12.102705     -1.624556      4.488762
  C     -10.980549      0.118741      3.394697
  C     -10.842855      0.889809      2.244085
  C      -9.852219      1.854400      2.167951
  C      -8.977752      2.024412      3.254754
  F      -8.045214      2.995173      3.136941
  C      -9.074117      1.272339      4.434928
  C      -8.189254      1.451235      5.649714
  O      -8.669899      1.299335      6.762477
  N      -6.875779      1.728174      5.355450
  C      -6.157331      2.208125      6.356344
  C     -10.101062      0.334457      4.484602
  H      -5.210374      4.620076     -1.165225
  H      -3.442457      4.467129     -1.471277
  H      -4.602452      3.287078     -2.160238
  H      -6.650334      2.478680     -1.314690
  H      -8.252630      0.708845     -0.605086
  H      -4.076491     -1.795122      4.896801
  H      -4.178417      1.560086      2.093466
  H      -8.534107     11.010358      0.718274
  H      -7.175624     11.398784     -0.347924
  H      -8.663424     10.688430     -1.043363
  H      -6.428716     11.062249      1.891279
  H      -4.983029     10.476533      3.831688
  H      -4.637258      3.593073      3.561006
  H      -6.530857      6.905608      0.776010
  H     -13.789730     -1.799121      2.621740
  H     -12.527264     -1.402027      1.411428
  H     -13.505820     -0.085004      2.118769
  H     -11.517256      0.752231      1.389116
  H      -9.735213      2.496698      1.282508
  H      -6.654960      2.520070      7.293588
  H     -10.226091     -0.245764      5.396705
  N      -2.005270      1.573967      2.985873
  H      -1.913053      0.584416      2.741208
  H      -1.065102      1.913176      3.202890
  H      -2.298291      2.067755      2.126128
90
Coordinates from ORCA-job orca E -6670.635411420703
  N      -3.126003      0.026643      5.444720
  Mo     -3.553343      1.882103      4.715411
  N      -4.864372      2.379277      6.261592
  C      -4.232320      3.130342      7.340825
  C      -2.882722      2.513237      7.660130
  N      -2.097966      2.178807      6.413160
  C      -1.330152      0.912465      6.634823
  C      -2.284555     -0.270531      6.567179
  C      -1.144894      3.269984      6.045032
  C      -1.893238      4.428482      5.398874
  N      -2.927909      3.798493      4.618173
  H      -1.726119     -1.211860      6.443209
  H      -2.886620     -0.358909      7.486140
  H      -0.602557      0.831411      5.817757
  H      -0.785081      0.951409      7.589278
  H      -2.338488      5.110517      6.140671
  H      -1.217394      5.030480      4.773383
  H      -0.570143      3.589233      6.926936
  H      -0.443397      2.841252      5.318725
  H      -4.851092      3.133132      8.253067
  H      -4.112894      4.181642      7.033042
  H      -3.044939      1.575253      8.203065
  H      -2.281788      3.172659      8.301914
  C      -4.330638      3.951616     -1.258878
  C      -4.188614      3.116021     -0.019450
  O      -3.181473      3.181224      0.674548
  C      -5.273683      2.177653      0.338160
  C      -6.436971      1.957172     -0.434030
  C      -7.350736      0.974804     -0.052990
  C      -7.100735      0.192836      1.077188
  F      -7.995212     -0.764415      1.378776
  C      -5.962869      0.396255      1.888831
  C      -5.555183     -0.488561      3.023623
  O      -5.977269     -1.634427      3.165198
  N      -4.578860      0.059583      3.831111
  C      -3.956209     -0.715214      4.738076
  C      -5.095050      1.409953      1.488096
  C      -7.915736     10.728100     -0.218390
  C      -7.381552      9.324367     -0.032530
  O      -7.646445      8.441626     -0.842015
  C      -6.527506      9.041242      1.160441
  C      -6.096252     10.050551      2.039250
  C      -5.301582      9.730163      3.133123
  C      -4.935829      8.403488      3.350679
  F      -4.193927      8.161746      4.452031
  C      -5.340386      7.359345      2.498512
  C      -5.036391      5.895315      2.674914
  O      -5.723146      5.056576      2.062649
  N      -3.955162      5.611914      3.494732
  C      -3.845424      4.350207      3.851769
  C      -6.146595      7.721170      1.414017
  C     -12.943544     -1.232390      2.500267
  C     -11.942399     -1.022343      3.588268
  O     -11.937650     -1.757605      4.567048
  C     -10.946485      0.078871      3.427856
  C     -10.835872      0.871408      2.275881
  C      -9.864492      1.859078      2.183796
  C      -8.999729      2.056070      3.229132
  F      -8.081964      3.029440      3.102650
  C      -9.084043      1.306620      4.392000
  C      -8.203420      1.495482      5.585509
  O      -8.693544      1.288819      6.727512
  N      -6.891095      1.769263      5.309312
  C      -6.182600      2.223720      6.327843
  C     -10.081623      0.330749      4.466816
  H      -5.178698      4.642510     -1.163068
  H      -3.408595      4.521493     -1.435927
  H      -4.545281      3.309438     -2.131676
  H      -6.635018      2.545105     -1.330128
  H      -8.260428      0.785456     -0.632499
  H      -4.130345     -1.788689      4.873473
  H      -4.200432      1.589293      2.086813
  H      -8.467327     11.062556      0.672509
  H      -7.088103     11.439419     -0.373436
  H      -8.576404     10.747055     -1.092177
  H      -6.378590     11.089887      1.875946
  H      -4.962661     10.491143      3.837282
  H      -4.645890      3.608402      3.550816
  H      -6.500725      6.931059      0.752405
  H     -13.658429     -2.024148      2.823511
  H     -12.399364     -1.541796      1.558539
  H     -13.513320     -0.277904      2.279491
  H     -11.498235      0.706113      1.451107
  H      -9.756295      2.474165      1.323502
  H      -6.685499      2.528402      7.262940
  H     -10.177513     -0.262946      5.375082
  N      -2.025946      1.561704      2.984734
  H      -1.942198      0.572543      2.737871
  H      -1.087108      1.887187      3.207783
  H      -2.308558      2.062623      2.124537
90
Coordinates from ORCA-job orca E -6670.635748812581
  N      -3.097332      0.025950      5.479527
  Mo     -3.537550      1.874038      4.725578
  N      -4.846477      2.382468      6.270768
  C      -4.213610      3.151865      7.341710
  C      -2.857299      2.544860      7.662840
  N      -2.075641      2.199761      6.414412
  C      -1.297781      0.937828      6.651867
  C      -2.248354     -0.255320      6.603055
  C      -1.125349      3.294316      6.029532
  C      -1.878300      4.444119      5.370812
  N      -2.916080      3.799167      4.599312
  H      -1.685809     -1.196631      6.487378
  H      -2.846932     -0.337349      7.527367
  H      -0.570867      0.851514      5.832826
  H      -0.745975      0.992905      7.609780
  H      -2.323411      5.136448      6.107405
  H      -1.204992      5.042283      4.734656
  H      -0.546167      3.628348      6.909545
  H      -0.423285      2.858027      5.304278
  H      -4.829027      3.161178      8.258323
  H      -4.101646      4.203393      7.020758
  H      -3.013179      1.609638      8.217946
  H      -2.253355      3.216254      8.297338
  C      -4.391080      3.920159     -1.247332
  C      -4.235370      3.084559     -0.010116
  O      -3.237857      3.150683      0.668823
  C      -5.306833      2.135967      0.358797
  C      -6.451476      1.899401     -0.406511
  C      -7.342606      0.907591     -0.017399
  C      -7.086959      0.133345      1.120172
  F      -7.958595     -0.835772      1.428496
  C      -5.967103      0.352477      1.927495
  C      -5.554364     -0.523571      3.068743
  O      -5.982993     -1.673863      3.215559
  N      -4.565021      0.035587      3.871352
  C      -3.934427     -0.727274      4.785324
  C      -5.119112      1.373736      1.515419
  C      -7.923022     10.813306     -0.166390
  C      -7.399703      9.394310     -0.024906
  O      -7.685839      8.530369     -0.869506
  C      -6.536072      9.073830      1.160698
  C      -6.095752     10.067255      2.060940
  C      -5.295179      9.721453      3.148480
  C      -4.932491      8.384883      3.340144
  F      -4.185943      8.114620      4.435044
  C      -5.343563      7.355896      2.470243
  C      -5.039775      5.886624      2.630124
  O      -5.731548      5.050621      2.002382
  N      -3.956540      5.600385      3.458471
  C      -3.839324      4.340142      3.827979
  C      -6.155807      7.740432      1.389076
  C     -12.981636     -1.208525      2.421715
  C     -11.983478     -0.995811      3.529329
  O     -12.009817     -1.720724      4.517215
  C     -10.961888      0.077984      3.385636
  C     -10.843455      0.890759      2.202574
  C      -9.854183      1.873039      2.125244
  C      -8.979805      2.039402      3.205048
  F      -8.050767      3.012247      3.088671
  C      -9.070062      1.265892      4.398768
  C      -8.191766      1.447665      5.616169
  O      -8.690620      1.267545      6.743316
  N      -6.873839      1.736189      5.331606
  C      -6.166605      2.216887      6.338004
  C     -10.086158      0.301742      4.457163
  H      -5.244461      4.597872     -1.138156
  H      -3.480053      4.498690     -1.433571
  H      -4.608750      3.279885     -2.118217
  H      -6.654501      2.479923     -1.308177
  H      -8.236491      0.703908     -0.593916
  H      -4.105588     -1.801168      4.935032
  H      -4.234382      1.567775      2.109074
  H      -8.464956     11.128840      0.737915
  H      -7.091808     11.523059     -0.307694
  H      -8.590881     10.863352     -1.036046
  H      -6.376301     11.114456      1.918961
  H      -4.950329     10.469304      3.867132
  H      -4.641751      3.590833      3.535655
  H      -6.515488      6.960722      0.712622
  H     -13.713019     -1.948200      2.730397
  H     -12.475982     -1.557692      1.541925
  H     -13.493234     -0.296287      2.156698
  H     -11.519140      0.754934      1.345144
  H      -9.749607      2.517505      1.234979
  H      -6.668959      2.527484      7.270245
  H     -10.187935     -0.290759      5.377390
  N      -2.011347      1.538199      2.989966
  H      -1.928356      0.541404      2.755663
  H      -1.066134      1.871470      3.206157
  H      -2.300542      2.031073      2.119626
90
Coordinates from ORCA-job orca E -6670.634882742899
  N      -3.076481      0.019836      5.469782
  Mo     -3.526121      1.866494      4.716057
  N      -4.824089      2.380412      6.270445
  C      -4.181952      3.150151      7.334911
  C      -2.823001      2.547952      7.651052
  N      -2.046085      2.201851      6.398448
  C      -1.267311      0.942130      6.629456
  C      -2.214843     -0.252396      6.587591
  C      -1.103344      3.298768      6.000142
  C      -1.867401      4.442109      5.341070
  N      -2.909436      3.792426      4.579870
  H      -1.648771     -1.190261      6.468620
  H      -2.804042     -0.335936      7.518677
  H      -0.548265      0.858060      5.803350
  H      -0.711046      1.001047      7.581013
  H      -2.307421      5.134853      6.077757
  H      -1.200061      5.039763      4.697876
  H      -0.519635      3.637928      6.873657
  H      -0.407913      2.860648      5.271291
  H      -4.789829      3.159779      8.255976
  H      -4.073892      4.200188      7.012297
  H      -2.973341      1.613552      8.207610
  H      -2.217912      3.222122      8.279716
  C      -4.295782      3.906821     -1.213679
  C      -4.121644      3.059107      0.024016
  O      -3.035651      3.139127      0.684252
  C      -5.229226      2.120310      0.408697
  C      -6.388064      1.920335     -0.353536
  C      -7.310209      0.947739      0.022473
  C      -7.076163      0.159997      1.144241
  F      -7.981029     -0.787440      1.444412
  C      -5.947745      0.347265      1.949396
  C      -5.556966     -0.537582      3.080838
  O      -6.003000     -1.691230      3.227650
  N      -4.560687      0.021359      3.874342
  C      -3.920558     -0.739970      4.787036
  C      -5.065860      1.345721      1.550360
  C      -8.050968     10.661658     -0.163405
  C      -7.489237      9.269688      0.010629
  O      -7.755740      8.381346     -0.789256
  C      -6.605520      9.002016      1.179407
  C      -6.174394     10.014920      2.048011
  C      -5.351121      9.705053      3.121650
  C      -4.957873      8.384774      3.328616
  F      -4.188347      8.153703      4.411631
  C      -5.361733      7.337516      2.484785
  C      -5.031390      5.880155      2.648306
  O      -5.709406      5.043008      2.060012
  N      -3.949329      5.599454      3.456459
  C      -3.837333      4.335497      3.817771
  C      -6.195973      7.689273      1.421010
  C     -13.053945     -1.032794      2.278276
  C     -12.058114     -0.916031      3.451888
  O     -12.140227     -1.675159      4.444624
  C     -10.994003      0.137555      3.372620
  C     -10.852753      0.922005      2.236584
  C      -9.862877      1.894732      2.176742
  C      -8.986658      2.053459      3.274736
  F      -8.054460      3.032946      3.173560
  C      -9.082157      1.283163      4.447027
  C      -8.187298      1.454712      5.652823
  O      -8.658750      1.269898      6.778100
  N      -6.871420      1.744216      5.350213
  C      -6.145788      2.219560      6.350342
  C     -10.110498      0.338467      4.478401
  H      -5.124390      4.623715     -1.072799
  H      -3.369501      4.450313     -1.401520
  H      -4.545022      3.295683     -2.084630
  H      -6.575630      2.514479     -1.246258
  H      -8.213766      0.774014     -0.553548
  H      -4.089512     -1.813979      4.942659
  H      -4.179731      1.505313      2.145890
  H      -8.587974     10.986872      0.739350
  H      -7.241564     11.385209     -0.336163
  H      -8.728999     10.668980     -1.019625
  H      -6.478631     11.048862      1.893577
  H      -5.010856     10.468664      3.817990
  H      -4.641601      3.587397      3.530470
  H      -6.549872      6.896722      0.766610
  H     -13.804763     -1.781775      2.534253
  H     -12.547752     -1.344230      1.347134
  H     -13.530918     -0.072790      2.065265
  H     -11.528649      0.790038      1.377760
  H      -9.740353      2.556304      1.294282
  H      -6.638671      2.531552      7.289925
  H     -10.239196     -0.252326      5.375354
  N      -2.015864      1.527001      2.973254
  H      -1.933368      0.534225      2.738390
  H      -1.069287      1.860524      3.181401
  H      -2.308885      2.014490      2.110123
90
Coordinates from ORCA-job orca E -6670.638035937919
  N      -3.065791      0.021765      5.485224
  Mo     -3.523294      1.862879      4.727504
  N      -4.838563      2.375398      6.262633
  C      -4.212783      3.147102      7.333239
  C      -2.854574      2.548679      7.661374
  N      -2.066524      2.208417      6.417840
  C      -1.277319      0.955579      6.659049
  C      -2.213527     -0.246346      6.608782
  C      -1.129256      3.309591      6.032356
  C      -1.895747      4.447329      5.365029
  N      -2.923639      3.790646      4.592232
  H      -1.638269     -1.179685      6.493575
  H      -2.809402     -0.335255      7.531355
  H      -0.548376      0.874559      5.843375
  H      -0.731308      1.019761      7.612635
  H      -2.350448      5.136855      6.094725
  H      -1.227117      5.048623      4.730830
  H      -0.558188      3.651745      6.909392
  H      -0.421653      2.878607      5.313952
  H      -4.831409      3.154419      8.245042
  H      -4.105293      4.196376      7.012104
  H      -3.006905      1.614023      8.214220
  H      -2.259870      3.221508      8.295674
  C      -4.506725      3.884077     -1.270924
  C      -4.277579      3.038709     -0.030571
  O      -3.220576      3.124076      0.639347
  C      -5.329497      2.087365      0.367241
  C      -6.524756      1.843845     -0.372611
  C      -7.413144      0.858787      0.042254
  C      -7.114720      0.098071      1.178617
  F      -7.992225     -0.863117      1.517253
  C      -5.946284      0.325149      1.960766
  C      -5.501846     -0.537770      3.104800
  O      -5.911545     -1.682134      3.271937
  N      -4.530803      0.019394      3.891692
  C      -3.899015     -0.733899      4.803980
  C      -5.095465      1.339052      1.520979
  C      -7.942559     10.736799     -0.164528
  C      -7.394748      9.336950      0.001714
  O      -7.644833      8.466157     -0.816358
  C      -6.541957      9.042049      1.190591
  C      -6.126846     10.037120      2.091496
  C      -5.332560      9.702948      3.180032
  C      -4.951303      8.376727      3.369683
  F      -4.209167      8.122869      4.467174
  C      -5.340493      7.345975      2.492817
  C      -5.019467      5.882145      2.638245
  O      -5.681629      5.049155      2.001514
  N      -3.952151      5.594861      3.466174
  C      -3.844038      4.333342      3.821804
  C      -6.146489      7.722621      1.415554
  C     -12.933281     -1.105769      2.315320
  C     -11.946469     -0.938327      3.444759
  O     -11.968510     -1.688744      4.413070
  C     -10.931900      0.147994      3.336781
  C     -10.819699      0.970325      2.203373
  C      -9.842402      1.944780      2.148121
  C      -8.970144      2.102173      3.219995
  F      -8.040733      3.064034      3.129782
  C      -9.056359      1.324267      4.368756
  C      -8.174134      1.474124      5.581563
  O      -8.654386      1.267287      6.696997
  N      -6.864517      1.756092      5.309295
  C      -6.157371      2.217001      6.326342
  C     -10.061419      0.360991      4.405521
  H      -5.362119      4.547957     -1.131025
  H      -3.609519      4.461505     -1.473121
  H      -4.750676      3.271311     -2.147970
  H      -6.766458      2.416957     -1.270049
  H      -8.346779      0.652056     -0.511996
  H      -4.060685     -1.798188      4.959847
  H      -4.174955      1.533458      2.091785
  H      -8.501595     11.049883      0.729650
  H      -7.121717     11.459744     -0.303650
  H      -8.599302     10.763311     -1.041255
  H      -6.421526     11.076363      1.949993
  H      -5.005050     10.452955      3.901800
  H      -4.637070      3.589965      3.521874
  H      -6.488401      6.943756      0.735728
  H     -13.672247     -1.866172      2.585157
  H     -12.401839     -1.413005      1.396436
  H     -13.452131     -0.154503      2.095728
  H     -11.487243      0.837378      1.358911
  H      -9.728544      2.582376      1.295724
  H      -6.664330      2.525589      7.259036
  H     -10.159070     -0.266329      5.306693
  N      -1.993213      1.524272      3.004000
  H      -1.902811      0.532351      2.770491
  H      -1.055717      1.859347      3.221968
  H      -2.280850      2.010616      2.139627
90
Coordinates from ORCA-job orca E -6670.636057341605
  N      -3.111238      0.018478      5.474600
  Mo     -3.550356      1.862894      4.714160
  N      -4.848540      2.390055      6.258201
  C      -4.209992      3.156054      7.324438
  C      -2.857033      2.543927      7.639837
  N      -2.081255      2.193668      6.388473
  C      -1.304833      0.934830      6.629349
  C      -2.253276     -0.256664      6.591762
  C      -1.131923      3.282334      5.992960
  C      -1.882488      4.427597      5.329728
  N      -2.924381      3.785070      4.566473
  H      -1.689645     -1.195509      6.473304
  H      -2.843026     -0.337970      7.521279
  H      -0.581524      0.844451      5.808231
  H      -0.751853      0.995919      7.581871
  H      -2.321530      5.124231      6.062544
  H      -1.209962      5.018579      4.688132
  H      -0.550889      3.618158      6.867128
  H      -0.434415      2.840519      5.268720
  H      -4.821251      3.168306      8.243185
  H      -4.094541      4.204988      7.002682
  H      -3.015382      1.610514      8.194351
  H      -2.248714      3.210576      8.270878
  C      -4.298542      3.900644     -1.188693
  C      -4.179628      3.049620      0.023936
  O      -3.160900      3.076622      0.682052
  C      -5.293377      2.132331      0.399315
  C      -6.441043      1.931588     -0.361000
  C      -7.359292      0.962765      0.029577
  C      -7.131620      0.177976      1.161705
  F      -8.024898     -0.766738      1.466722
  C      -6.012788      0.363852      1.966083
  C      -5.622140     -0.520288      3.104124
  O      -6.066400     -1.658732      3.260549
  N      -4.609983      0.025507      3.891065
  C      -3.971060     -0.737653      4.802752
  C      -5.137222      1.359618      1.552524
  C      -7.979032     10.767950     -0.161289
  C      -7.440112      9.358859     -0.010952
  O      -7.720831      8.488957     -0.839593
  C      -6.566356      9.055543      1.166375
  C      -6.132253     10.053454      2.059908
  C      -5.321342      9.719544      3.140415
  C      -4.942706      8.390474      3.331294
  F      -4.185695      8.133629      4.420354
  C      -5.348372      7.357276      2.466035
  C      -5.031786      5.891174      2.617501
  O      -5.715597      5.058077      1.985507
  N      -3.951109      5.602160      3.443400
  C      -3.844698      4.339003      3.801133
  C      -6.170154      7.731469      1.393094
  C     -12.905139     -1.188891      2.387349
  C     -11.915073     -1.003079      3.502302
  O     -11.929903     -1.737384      4.457383
  C     -10.919403      0.092117      3.381440
  C     -10.810917      0.919908      2.237787
  C      -9.849170      1.927621      2.170117
  C      -8.987590      2.095774      3.225799
  F      -8.089767      3.096623      3.116468
  C      -9.062866      1.296652      4.385011
  C      -8.187910      1.452516      5.596643
  O      -8.685854      1.223058      6.725850
  N      -6.872502      1.765477      5.311495
  C      -6.168396      2.235273      6.323640
  C     -10.056620      0.314922      4.430579
  H      -5.124036      4.632682     -1.052696
  H      -3.348229      4.445468     -1.381981
  H      -4.555860      3.256568     -2.061367
  H      -6.619598      2.520392     -1.260824
  H      -8.252647      0.785957     -0.543588
  H      -4.151797     -1.813799      4.966691
  H      -4.250083      1.521661      2.141477
  H      -8.520424     11.085530      0.742781
  H      -7.155815     11.484006     -0.312669
  H      -8.651246     10.802835     -1.026374
  H      -6.425476     11.094660      1.918188
  H      -4.980113     10.471058      3.854250
  H      -4.653764      3.601325      3.505777
  H      -6.523859      6.948952      0.719232
  H     -13.626612     -1.972953      2.677915
  H     -12.376104     -1.496951      1.461371
  H     -13.446159     -0.241232      2.164442
  H     -11.476803      0.785241      1.396206
  H      -9.758938      2.590442      1.304708
  H      -6.671080      2.538854      7.259107
  H     -10.147687     -0.295186      5.325632
  N      -2.035915      1.500674      2.978002
  H      -1.964512      0.505668      2.746132
  H      -1.090719      1.821675      3.188170
  H      -2.321276      1.993282      2.109245
90
Coordinates from ORCA-job orca E -6670.638312768406
  N      -3.053324      0.019937      5.503871
  Mo     -3.516811      1.852981      4.718642
  N      -4.825352      2.390572      6.254927
  C      -4.193182      3.173124      7.316682
  C      -2.834044      2.577624      7.643543
  N      -2.049513      2.222843      6.398026
  C      -1.257565      0.973585      6.653303
  C      -2.192222     -0.232950      6.624766
  C      -1.111274      3.321618      5.991296
  C      -1.874249      4.451101      5.308696
  N      -2.909140      3.785865      4.547228
  H      -1.615917     -1.166585      6.515683
  H      -2.782093     -0.314569      7.555863
  H      -0.531086      0.884203      5.834005
  H      -0.705693      1.052587      7.609099
  H      -2.324027      5.155867      6.031640
  H      -1.203737      5.042020      4.661913
  H      -0.535406      3.677927      6.865563
  H      -0.406186      2.875188      5.273929
  H      -4.806440      3.188794      8.235170
  H      -4.088061      4.221698      6.985671
  H      -2.985088      1.646394      8.205286
  H      -2.233469      3.258262      8.271542
  C      -4.445880      3.889495     -1.171864
  C      -4.231790      3.019841      0.043688
  O      -3.205287      3.085487      0.703384
  C      -5.295188      2.064905      0.418295
  C      -6.464638      1.836162     -0.333517
  C      -7.366786      0.848651      0.061772
  C      -7.100518      0.076160      1.195448
  F      -7.997586     -0.882414      1.521286
  C      -5.957960      0.290763      1.989397
  C      -5.548002     -0.573282      3.136559
  O      -5.985437     -1.727053      3.295731
  N      -4.547252     -0.002017      3.922335
  C      -3.908085     -0.748697      4.843640
  C      -5.094996      1.301145      1.566394
  C      -7.986406     10.803063     -0.112058
  C      -7.446821      9.391313      0.013149
  O      -7.731096      8.531372     -0.830819
  C      -6.567980      9.070558      1.181139
  C      -6.135769     10.055239      2.089624
  C      -5.319520      9.704933      3.161316
  C      -4.933945      8.372396      3.328182
  F      -4.170352      8.099553      4.408845
  C      -5.336857      7.352095      2.447427
  C      -5.008455      5.885136      2.573062
  O      -5.684416      5.057085      1.937113
  N      -3.937810      5.591321      3.408033
  C      -3.832140      4.326921      3.774100
  C      -6.164354      7.742279      1.383594
  C     -13.004210     -1.114758      2.249765
  C     -12.021436     -0.947433      3.405099
  O     -12.096473     -1.704222      4.382844
  C     -10.972469      0.128959      3.324908
  C     -10.828120      0.932947      2.185997
  C      -9.835936      1.925460      2.138725
  C      -8.966594      2.081946      3.231259
  F      -8.032855      3.074892      3.141832
  C      -9.066904      1.291599      4.400105
  C      -8.176448      1.450191      5.616132
  O      -8.654136      1.227184      6.752025
  N      -6.861865      1.758494      5.316797
  C      -6.147737      2.236201      6.320766
  C     -10.094723      0.330156      4.421131
  H      -5.303047      4.542841     -1.026287
  H      -3.562821      4.475262     -1.348700
  H      -4.666424      3.304376     -2.051662
  H      -6.685785      2.420137     -1.226384
  H      -8.289032      0.654565     -0.500315
  H      -4.076693     -1.820449      5.018695
  H      -4.198620      1.485916      2.151327
  H      -8.523674     11.103737      0.798418
  H      -7.166123     11.522734     -0.253479
  H      -8.660147     10.852566     -0.973044
  H      -6.434062     11.098433      1.967168
  H      -4.979078     10.445568      3.885903
  H      -4.634248      3.580003      3.479817
  H      -6.515966      6.970025      0.697887
  H     -13.744566     -1.889725      2.517339
  H     -12.486342     -1.427740      1.335342
  H     -13.501489     -0.176363      2.023007
  H     -11.497381      0.800169      1.326186
  H      -9.716624      2.589392      1.264016
  H      -6.646575      2.549454      7.254557
  H     -10.217323     -0.262432      5.311097
  N      -1.994967      1.479929      2.988671
  H      -1.916584      0.480471      2.769051
  H      -1.046814      1.813756      3.197673
  H      -2.283348      1.958345      2.112600
90
Coordinates from ORCA-job orca E -6670.637104732039
  N      -3.038447      0.009382      5.495468
  Mo     -3.511277      1.841498      4.720004
  N      -4.821990      2.371513      6.251544
  C      -4.193504      3.153375      7.314486
  C      -2.831411      2.563306      7.641885
  N      -2.045321      2.217127      6.397681
  C      -1.246894      0.972054      6.647755
  C      -2.172625     -0.238635      6.615011
  C      -1.117218      3.321384      5.993124
  C      -1.892840      4.445342      5.312647
  N      -2.921283      3.774806      4.550808
  H      -1.587197     -1.166091      6.501612
  H      -2.758019     -0.328323      7.545013
  H      -0.520911      0.888821      5.828982
  H      -0.697741      1.050940      7.598718
  H      -2.347932      5.142508      6.034479
  H      -1.228576      5.042289      4.668762
  H      -0.545175      3.679033      6.864357
  H      -0.410439      2.884353      5.277415
  H      -4.807527      3.164274      8.229639
  H      -4.092208      4.201485      6.986339
  H      -2.978407      1.630410      8.200617
  H      -2.236809      3.243392      8.270228
  C      -4.420696      3.840067     -1.219216
  C      -4.196423      2.980982      0.010790
  O      -3.092524      3.044122      0.640465
  C      -5.286244      2.052456      0.435324
  C      -6.475111      1.847806     -0.292937
  C      -7.382748      0.885109      0.121373
  C      -7.108957      0.110790      1.247185
  F      -8.002830     -0.826660      1.584753
  C      -5.949108      0.302420      2.020500
  C      -5.524466     -0.570129      3.157078
  O      -5.952889     -1.711887      3.331674
  N      -4.534618     -0.015655      3.927486
  C      -3.886787     -0.758691      4.842675
  C      -5.079832      1.291634      1.582061
  C      -8.047192     10.691221     -0.124661
  C      -7.477338      9.300193      0.027902
  O      -7.725120      8.429835     -0.789474
  C      -6.605913      9.012483      1.202368
  C      -6.199912     10.005959      2.106092
  C      -5.388214      9.676614      3.181982
  C      -4.981754      8.356427      3.356733
  F      -4.223611      8.107493      4.443425
  C      -5.361840      7.327462      2.476397
  C      -5.016388      5.869107      2.603806
  O      -5.664486      5.039258      1.965710
  N      -3.952807      5.581244      3.430781
  C      -3.845490      4.317396      3.782882
  C      -6.183675      7.699755      1.411427
  C     -12.959608     -0.993180      2.228298
  C     -11.965797     -0.868755      3.371092
  O     -11.999688     -1.654604      4.340205
  C     -10.945251      0.211333      3.292052
  C     -10.841330      1.055470      2.171916
  C      -9.866622      2.019433      2.136078
  C      -8.981353      2.140125      3.225122
  F      -8.059852      3.102969      3.151301
  C      -9.054808      1.338929      4.363420
  C      -8.159413      1.467795      5.566362
  O      -8.624622      1.245176      6.674827
  N      -6.852261      1.755180      5.294756
  C      -6.143454      2.215341      6.313126
  C     -10.057931      0.382522      4.382726
  H      -5.241963      4.557302     -1.029599
  H      -3.485327      4.382960     -1.452327
  H      -4.725616      3.228328     -2.097372
  H      -6.694730      2.432099     -1.187236
  H      -8.309293      0.709295     -0.425429
  H      -4.047703     -1.822255      5.020176
  H      -4.162908      1.452375      2.146182
  H      -8.601753     10.990834      0.777485
  H      -7.238994     11.426003     -0.267780
  H      -8.712889     10.713100     -0.993288
  H      -6.514956     11.040251      1.977060
  H      -5.066451     10.425470      3.905502
  H      -4.637918      3.574812      3.484654
  H      -6.515923      6.922819      0.727695
  H     -13.688563     -1.745466      2.478936
  H     -12.438547     -1.278168      1.311520
  H     -13.475860     -0.046017      2.027513
  H     -11.519563      0.949374      1.318786
  H      -9.756593      2.682063      1.289165
  H      -6.651509      2.527351      7.244864
  H     -10.152407     -0.268795      5.276080
  N      -1.990606      1.475554      2.998618
  H      -1.905008      0.481066      2.774252
  H      -1.048466      1.810024      3.209302
  H      -2.280587      1.953914      2.130678
90
Coordinates from ORCA-job orca E -6670.641376089452
  N      -3.067079      0.014737      5.495625
  Mo     -3.531020      1.845582      4.714274
  N      -4.836650      2.386237      6.245183
  C      -4.205497      3.163617      7.307164
  C      -2.847167      2.564895      7.628430
  N      -2.066422      2.215144      6.381748
  C      -1.269914      0.971352      6.636850
  C      -2.199424     -0.237470      6.611506
  C      -1.132105      3.312777      5.976897
  C      -1.896686      4.439564      5.296562
  N      -2.928740      3.775339      4.535640
  H      -1.618628     -1.166525      6.495341
  H      -2.782713     -0.324577      7.544362
  H      -0.544427      0.883590      5.817719
  H      -0.718689      1.053068      7.587962
  H      -2.347370      5.139629      6.018101
  H      -1.228926      5.031178      4.650989
  H      -0.558586      3.666465      6.847940
  H      -0.426108      2.872969      5.261203
  H      -4.818358      3.175679      8.223984
  H      -4.098968      4.211154      6.979157
  H      -2.999368      1.632982      8.186548
  H      -2.246087      3.238672      8.257254
  C      -4.418329      3.890539     -1.144541
  C      -4.224929      3.007559      0.051707
  O      -3.150416      3.027837      0.697474
  C      -5.313517      2.081154      0.435186
  C      -6.494060      1.872938     -0.310799
  C      -7.406500      0.904270      0.092004
  C      -7.149120      0.128427      1.224989
  F      -8.043926     -0.814655      1.546161
  C      -6.001577      0.323464      2.018159
  C      -5.599323     -0.547412      3.166247
  O      -6.043003     -1.682973      3.340439
  N      -4.585231      0.000028      3.938285
  C      -3.938872     -0.748149      4.851709
  C      -5.121546      1.316030      1.585606
  C      -7.984590     10.762182     -0.136170
  C      -7.443613      9.355996      0.011361
  O      -7.721232      8.489919     -0.808914
  C      -6.566958      9.050878      1.181264
  C      -6.137830     10.040734      2.081982
  C      -5.324611      9.701250      3.155570
  C      -4.938652      8.374857      3.331602
  F      -4.177802      8.115201      4.415448
  C      -5.339911      7.349231      2.455927
  C      -5.014145      5.885047      2.589062
  O      -5.670528      5.058264      1.933467
  N      -3.947581      5.591307      3.419775
  C      -3.848034      4.326840      3.767991
  C      -6.163780      7.730365      1.391545
  C     -12.907701     -1.118611      2.269259
  C     -11.917943     -0.975281      3.405489
  O     -11.940459     -1.735674      4.351894
  C     -10.911692      0.117506      3.323670
  C     -10.803031      0.968721      2.207857
  C      -9.841912      1.978351      2.169329
  C      -8.975024      2.125265      3.234513
  F      -8.067276      3.125966      3.159012
  C      -9.050629      1.304451      4.367054
  C      -8.168343      1.436596      5.576083
  O      -8.645568      1.181457      6.690611
  N      -6.860920      1.765817      5.291585
  C      -6.156860      2.234048      6.306382
  C     -10.046401      0.321769      4.383463
  H      -5.259930      4.575810     -0.984769
  H      -3.509551      4.457628     -1.332626
  H      -4.670978      3.290849     -2.028356
  H      -6.702569      2.457754     -1.207362
  H      -8.323995      0.723729     -0.468769
  H      -4.113603     -1.814449      5.030170
  H      -4.209640      1.482468      2.161845
  H      -8.526360     11.075422      0.768464
  H      -7.162210     11.480100     -0.285234
  H      -8.657104     10.797941     -1.000393
  H      -6.436773     11.079975      1.951792
  H      -4.986069     10.446770      3.875876
  H      -4.648954      3.592244      3.465816
  H      -6.513537      6.954311      0.709540
  H     -13.632171     -1.902562      2.526942
  H     -12.384332     -1.400538      1.332271
  H     -13.436619     -0.160136      2.076009
  H     -11.471803      0.852349      1.360218
  H      -9.746974      2.658242      1.325103
  H      -6.662736      2.537989      7.240783
  H     -10.144189     -0.310443      5.262688
  N      -2.011900      1.467238      2.988101
  H      -1.938561      0.472400      2.763034
  H      -1.068372      1.789912      3.198192
  H      -2.295610      1.950512      2.119360
90
Coordinates from ORCA-job orca E -6670.639019237554
  N      -3.021991      0.006043      5.521034
  Mo     -3.493673      1.828178      4.715780
  N      -4.808964      2.388735      6.235407
  C      -4.182625      3.179360      7.295165
  C      -2.825284      2.586865      7.631748
  N      -2.034742      2.226505      6.391612
  C      -1.234251      0.984693      6.661271
  C      -2.156753     -0.229470      6.641684
  C      -1.103369      3.327166      5.976001
  C      -1.869618      4.443204      5.273905
  N      -2.896538      3.765302      4.511861
  H      -1.569096     -1.156817      6.535917
  H      -2.741781     -0.313537      7.573851
  H      -0.503467      0.891897      5.847044
  H      -0.687868      1.077516      7.616980
  H      -2.328610      5.155768      5.984103
  H      -1.197609      5.029046      4.625850
  H      -0.535336      3.698105      6.848766
  H      -0.391450      2.875036      5.268994
  H      -4.799540      3.200249      8.210847
  H      -4.077920      4.225936      6.959403
  H      -2.977971      1.657884      8.195442
  H      -2.229094      3.270630      8.259301
  C      -4.431749      3.811877     -1.172109
  C      -4.236806      2.944678      0.044879
  O      -3.212156      2.990320      0.669804
  C      -5.322282      2.015104      0.464274
  C      -6.496866      1.798416     -0.263313
  C      -7.401671      0.828987      0.162772
  C      -7.126939      0.060705      1.298657
  F      -8.027050     -0.879134      1.654398
  C      -5.972822      0.263058      2.066715
  C      -5.541550     -0.598512      3.209727
  O      -5.973715     -1.742393      3.390272
  N      -4.538698     -0.031768      3.969693
  C      -3.890519     -0.768035      4.890524
  C      -5.116579      1.257831      1.618886
  C      -8.080785     10.769014     -0.054088
  C      -7.493486      9.373927      0.035250
  O      -7.744822      8.529617     -0.832579
  C      -6.612253      9.048544      1.200385
  C      -6.225965     10.019484      2.145636
  C      -5.408215      9.663571      3.214565
  C      -4.978387      8.338518      3.344114
  F      -4.219381      8.059013      4.426331
  C      -5.336889      7.331280      2.426603
  C      -4.970162      5.868725      2.513397
  O      -5.614976      5.041133      1.839012
  N      -3.915295      5.575105      3.369063
  C      -3.815630      4.309117      3.732899
  C      -6.161969      7.728490      1.363941
  C     -12.944043     -1.033087      2.182947
  C     -11.981811     -0.842192      3.322862
  O     -12.038779     -1.616039      4.281309
  C     -10.958551      0.250173      3.252413
  C     -10.829149      1.072259      2.135587
  C      -9.846602      2.054847      2.104815
  C      -8.971283      2.181163      3.191678
  F      -8.048509      3.160794      3.117999
  C      -9.052495      1.364835      4.340096
  C      -8.151891      1.473084      5.562658
  O      -8.621583      1.214513      6.697413
  N      -6.840591      1.778832      5.276045
  C      -6.132373      2.243400      6.289455
  C     -10.071103      0.412767      4.345838
  H      -5.254011      4.520922     -0.983959
  H      -3.502460      4.366291     -1.394861
  H      -4.717425      3.205366     -2.048977
  H      -6.718120      2.377476     -1.161843
  H      -8.330289      0.646475     -0.377544
  H      -4.062106     -1.835800      5.089272
  H      -4.208334      1.430558      2.181629
  H      -8.636351     11.022587      0.860813
  H      -7.285855     11.522047     -0.166483
  H      -8.747254     10.820488     -0.920843
  H      -6.561545     11.056448      2.054207
  H      -5.102273     10.393422      3.967086
  H      -4.611769      3.566411      3.429246
  H      -6.473551      6.968392      0.647383
  H     -13.668685     -1.843003      2.440858
  H     -12.387148     -1.314491      1.273173
  H     -13.477843     -0.109431      1.963510
  H     -11.498638      0.955098      1.284354
  H      -9.740393      2.731671      1.248048
  H      -6.637424      2.560442      7.218745
  H     -10.169643     -0.221056      5.232908
  N      -1.966997      1.421121      3.000519
  H      -1.896233      0.419135      2.789704
  H      -1.018134      1.747822      3.210259
  H      -2.250434      1.894379      2.117880
90
Coordinates from ORCA-job orca E -6670.642190133312
  N      -3.014601      0.004626      5.508337
  Mo     -3.495728      1.825941      4.711053
  N      -4.818420      2.376890      6.225590
  C      -4.197507      3.162190      7.289542
  C      -2.838342      2.573061      7.623893
  N      -2.043238      2.225338      6.385903
  C      -1.233906      0.990096      6.651080
  C      -2.146281     -0.230438      6.626354
  C      -1.119695      3.332478      5.978232
  C      -1.892055      4.444869      5.280257
  N      -2.911307      3.764283      4.512955
  H      -1.550121     -1.151208      6.513915
  H      -2.729201     -0.325578      7.558223
  H      -0.501130      0.905968      5.837802
  H      -0.689798      1.082435      7.605242
  H      -2.358297      5.148992      5.990709
  H      -1.222647      5.038189      4.637845
  H      -0.557026      3.702667      6.851749
  H      -0.402517      2.890931      5.272573
  H      -4.816553      3.174439      8.202581
  H      -4.096588      4.209901      6.960595
  H      -2.989266      1.640320      8.180312
  H      -2.248046      3.253298      8.257192
  C      -4.425793      3.856973     -1.132789
  C      -4.206610      2.966455      0.063983
  O      -3.145922      2.998544      0.688569
  C      -5.288825      2.036868      0.466840
  C      -6.469502      1.832857     -0.266240
  C      -7.383560      0.868358      0.146590
  C      -7.121613      0.094791      1.278610
  F      -8.027787     -0.840121      1.619366
  C      -5.967555      0.285132      2.055121
  C      -5.556096     -0.583068      3.199658
  O      -6.008801     -1.723424      3.378791
  N      -4.542778     -0.027037      3.964010
  C      -3.889953     -0.767324      4.882417
  C      -5.090941      1.271885      1.614326
  C      -8.057114     10.742774     -0.095457
  C      -7.489470      9.344622      0.025180
  O      -7.753071      8.485943     -0.816051
  C      -6.606846      9.035715      1.189738
  C      -6.204547     10.017110      2.112035
  C      -5.385092      9.673908      3.180626
  C      -4.967674      8.351557      3.331252
  F      -4.202697      8.087178      4.411104
  C      -5.341592      7.334518      2.434523
  C      -4.984748      5.874215      2.538281
  O      -5.624671      5.048970      1.866783
  N      -3.930524      5.578928      3.387479
  C      -3.829612      4.311539      3.737511
  C      -6.170497      7.719256      1.374377
  C     -12.978829     -0.998166      2.203516
  C     -11.961296     -0.917199      3.354321
  O     -12.000285     -1.705629      4.307510
  C     -10.940193      0.171279      3.286664
  C     -10.838936      1.038902      2.169756
  C      -9.866052      2.032752      2.139751
  C      -8.986120      2.157165      3.216118
  F      -8.074225      3.154923      3.144440
  C      -9.056022      1.329649      4.348151
  C      -8.156947      1.456510      5.543542
  O      -8.621046      1.186466      6.666823
  N      -6.849143      1.771686      5.260005
  C      -6.141570      2.231487      6.276850
  C     -10.053806      0.343355      4.364485
  H      -5.253676      4.555882     -0.930336
  H      -3.506683      4.411374     -1.339097
  H      -4.710403      3.277224     -2.020394
  H      -6.685788      2.418534     -1.159441
  H      -8.310937      0.694742     -0.401041
  H      -4.060786     -1.833998      5.078183
  H      -4.178444      1.432390      2.180756
  H      -8.607509     11.025008      0.813679
  H      -7.250179     11.480097     -0.226360
  H      -8.725722     10.783504     -0.960280
  H      -6.528669     11.052165      2.003100
  H      -5.066385     10.412385      3.915944
  H      -4.618525      3.572135      3.422997
  H      -6.495715      6.950437      0.675104
  H     -13.708752     -1.741862      2.450902
  H     -12.500402     -1.284514      1.268288
  H     -13.474655     -0.040747      2.018886
  H     -11.516774      0.934443      1.320831
  H      -9.764387      2.712820      1.298032
  H      -6.649216      2.542299      7.207497
  H     -10.147507     -0.296134      5.238167
  N      -1.963875      1.427818      3.002666
  H      -1.891171      0.430034      2.783737
  H      -1.018015      1.750607      3.218797
  H      -2.242041      1.906447      2.126753
90
Coordinates from ORCA-job orca E -6670.638792462690
  N      -3.024019      0.000803      5.506961
  Mo     -3.517582      1.818769      4.705353
  N      -4.830546      2.369593      6.225689
  C      -4.204824      3.161549      7.283611
  C      -2.838778      2.580079      7.611415
  N      -2.053192      2.233067      6.366636
  C      -1.233763      1.005042      6.634294
  C      -2.143148     -0.223656      6.623039
  C      -1.137104      3.344911      5.947152
  C      -1.920960      4.450179      5.250236
  N      -2.942580      3.759859      4.492830
  H      -1.542122     -1.141168      6.509759
  H      -2.718221     -0.317680      7.561408
  H      -0.506745      0.922994      5.815378
  H      -0.681840      1.108608      7.585453
  H      -2.384233      5.152279      5.961105
  H      -1.259671      5.045683      4.599329
  H      -0.569425      3.720140      6.815104
  H      -0.422872      2.908997      5.238160
  H      -4.817423      3.172956      8.200806
  H      -4.109758      4.209371      6.948206
  H      -2.981815      1.647557      8.174521
  H      -2.244049      3.264524      8.238036
  C      -4.446893      3.854978     -1.092514
  C      -4.216385      2.949980      0.085355
  O      -3.087904      2.962470      0.699290
  C      -5.307008      2.027819      0.490640
  C      -6.502932      1.835085     -0.235030
  C      -7.415835      0.876233      0.175369
  C      -7.151657      0.097447      1.301066
  F      -8.049259     -0.833822      1.631152
  C      -5.991927      0.278226      2.078376
  C      -5.586228     -0.593684      3.224273
  O      -6.035981     -1.724782      3.412354
  N      -4.567374     -0.047369      3.979070
  C      -3.903333     -0.775339      4.893174
  C      -5.103615      1.258248      1.632699
  C      -7.997539     10.793211     -0.102520
  C      -7.458497      9.383084      0.024061
  O      -7.736401      8.529868     -0.806746
  C      -6.581629      9.058895      1.189882
  C      -6.158520     10.032611      2.110513
  C      -5.346057      9.676105      3.179478
  C      -4.955552      8.348550      3.331612
  F      -4.194079      8.072183      4.411122
  C      -5.351343      7.338451      2.435314
  C      -5.018922      5.874973      2.545591
  O      -5.657321      5.059029      1.869281
  N      -3.967355      5.571435      3.385310
  C      -3.865852      4.305138      3.723774
  C      -6.173361      7.736656      1.375414
  C     -12.893707     -1.104094      2.206221
  C     -11.935117     -0.915884      3.330160
  O     -11.956585     -1.687390      4.267372
  C     -10.937809      0.191767      3.265923
  C     -10.837196      1.064578      2.165802
  C      -9.871082      2.056223      2.149588
  C      -8.988858      2.164461      3.227132
  F      -8.067815      3.139734      3.179864
  C      -9.060523      1.330877      4.341736
  C      -8.163784      1.428282      5.551376
  O      -8.621933      1.159306      6.655200
  N      -6.860761      1.755262      5.267950
  C      -6.153305      2.218140      6.283402
  C     -10.062626      0.366976      4.334856
  H      -5.269646      4.552863     -0.881406
  H      -3.536586      4.406831     -1.297139
  H      -4.741191      3.280037     -1.979545
  H      -6.718749      2.424435     -1.125044
  H      -8.339961      0.707789     -0.372311
  H      -4.068358     -1.832635      5.093756
  H      -4.177310      1.409712      2.191012
  H      -8.543380     11.091438      0.805614
  H      -7.173173     11.512909     -0.235013
  H      -8.667745     10.845313     -0.969813
  H      -6.461399     11.072950      1.999593
  H      -5.011040     10.409356      3.914514
  H      -4.655538      3.567364      3.412083
  H      -6.516079      6.972066      0.676189
  H     -13.607368     -1.935457      2.453921
  H     -12.318344     -1.351958      1.283290
  H     -13.459578     -0.168402      2.016988
  H     -11.516147      0.973984      1.309909
  H      -9.774914      2.749744      1.314972
  H      -6.661342      2.525846      7.216630
  H     -10.154991     -0.285627      5.203479
  N      -1.995822      1.425253      2.987418
  H      -1.921434      0.427964      2.769510
  H      -1.049222      1.751736      3.194545
  H      -2.283002      1.901198      2.116293
90
Coordinates from ORCA-job orca E -6670.643593947059
  N      -3.000034      0.003177      5.513488
  Mo     -3.492945      1.819579      4.713754
  N      -4.811944      2.372503      6.226836
  C      -4.191490      3.160036      7.288838
  C      -2.830076      2.574176      7.618916
  N      -2.039432      2.230035      6.378009
  C      -1.220017      1.002576      6.645464
  C      -2.124433     -0.224777      6.627957
  C      -1.123614      3.341397      5.966216
  C      -1.903181      4.447151      5.268200
  N      -2.919677      3.760520      4.502605
  H      -1.522150     -1.140754      6.512730
  H      -2.701625     -0.323291      7.562898
  H      -0.488553      0.921308      5.830918
  H      -0.673542      1.102710      7.597176
  H      -2.372120      5.148835      5.976821
  H      -1.238009      5.042972      4.623878
  H      -0.561635      3.715719      6.836851
  H      -0.404736      2.905338      5.260802
  H      -4.808408      3.170096      8.203013
  H      -4.094171      4.207911      6.958852
  H      -2.977743      1.640545      8.175510
  H      -2.238889      3.254126      8.250958
  C      -4.472737      3.833267     -1.134678
  C      -4.247316      2.941136      0.059173
  O      -3.167447      2.965163      0.670177
  C      -5.330318      2.016214      0.481387
  C      -6.525748      1.809045     -0.237786
  C      -7.435232      0.848439      0.192393
  C      -7.156513      0.081247      1.326583
  F      -8.054895     -0.850730      1.680338
  C      -5.989240      0.274526      2.091159
  C      -5.562908     -0.588221      3.237854
  O      -5.996698     -1.722933      3.426652
  N      -4.546143     -0.035525      3.989616
  C      -3.883169     -0.769511      4.903361
  C      -5.116673      1.257971      1.633015
  C      -8.032144     10.749028     -0.105724
  C      -7.458655      9.354065      0.015599
  O      -7.701405      8.502336     -0.831235
  C      -6.595607      9.040377      1.192488
  C      -6.216724     10.014684      2.132578
  C      -5.414899      9.666406      3.211526
  C      -4.992357      8.346102      3.355309
  F      -4.245570      8.076734      4.446140
  C      -5.344973      7.335680      2.440911
  C      -4.984380      5.876418      2.537819
  O      -5.600873      5.054382      1.837520
  N      -3.938747      5.579511      3.392875
  C      -3.838662      4.311053      3.730882
  C      -6.154922      7.726133      1.370009
  C     -12.927624     -0.995862      2.159730
  C     -11.937489     -0.878192      3.304008
  O     -11.963577     -1.674170      4.242270
  C     -10.925276      0.206468      3.253881
  C     -10.815242      1.063800      2.165676
  C      -9.854676      2.069864      2.147148
  C      -8.981954      2.191525      3.217231
  F      -8.078427      3.196723      3.159888
  C      -9.044423      1.338372      4.335166
  C      -8.145801      1.432067      5.542935
  O      -8.607508      1.144734      6.656462
  N      -6.839713      1.766482      5.258793
  C      -6.134727      2.224547      6.277885
  C     -10.044535      0.367600      4.327261
  H      -5.290421      4.532026     -0.922450
  H      -3.553098      4.389004     -1.359373
  H      -4.775141      3.246678     -2.018287
  H      -6.751135      2.389130     -1.134483
  H      -8.368567      0.671432     -0.345126
  H      -4.052083     -1.832218      5.106707
  H      -4.188097      1.419425      2.184585
  H      -8.602222     11.019907      0.794737
  H      -7.226999     11.493475     -0.214805
  H      -8.684384     10.792143     -0.984064
  H      -6.545672     11.048558      2.029282
  H      -5.113910     10.399640      3.961017
  H      -4.625353      3.575784      3.408996
  H      -6.460553      6.962556      0.655244
  H     -13.652103     -1.784662      2.396732
  H     -12.403282     -1.256968      1.224712
  H     -13.454997     -0.044275      1.981609
  H     -11.487961      0.964475      1.319209
  H      -9.764080      2.776118      1.311757
  H      -6.644081      2.528593      7.210575
  H     -10.131324     -0.297280      5.196040
  N      -1.965167      1.417156      3.002624
  H      -1.896156      0.420236      2.783016
  H      -1.019032      1.736204      3.214501
  H      -2.246679      1.897105      2.130149
90
Coordinates from ORCA-job orca E -6670.639492864851
  N      -3.001583     -0.004727      5.519739
  Mo     -3.492262      1.804881      4.694680
  N      -4.815854      2.380437      6.200386
  C      -4.196782      3.180065      7.259049
  C      -2.836545      2.598455      7.602723
  N      -2.038838      2.239494      6.365806
  C      -1.222108      1.012164      6.648456
  C      -2.126947     -0.216439      6.639796
  C      -1.121890      3.349739      5.938921
  C      -1.898718      4.446453      5.219502
  N      -2.914044      3.749184      4.456750
  H      -1.522852     -1.133196      6.536090
  H      -2.705242     -0.306149      7.576451
  H      -0.488857      0.923176      5.835863
  H      -0.679358      1.124080      7.604462
  H      -2.370268      5.161475      5.918656
  H      -1.228680      5.033578      4.569478
  H      -0.562679      3.738214      6.810438
  H      -0.400569      2.899274      5.240037
  H      -4.815512      3.199082      8.174103
  H      -4.099304      4.226397      6.919360
  H      -2.986240      1.669153      8.167168
  H      -2.246031      3.287222      8.231561
  C      -4.408615      3.852867     -1.030556
  C      -4.178247      2.925334      0.126164
  O      -3.119957      2.923741      0.730140
  C      -5.259915      1.996702      0.515824
  C      -6.432121      1.807749     -0.215547
  C      -7.352713      0.845903      0.191691
  C      -7.104780      0.064113      1.319938
  F      -8.025798     -0.863222      1.661747
  C      -5.959859      0.241548      2.095904
  C      -5.574328     -0.624687      3.246545
  O      -6.060926     -1.762535      3.437548
  N      -4.550023     -0.063803      3.998799
  C      -3.890914     -0.789286      4.922699
  C      -5.074051      1.220530      1.656886
  C      -8.076714     10.810687     -0.043069
  C      -7.522276      9.401311      0.043489
  O      -7.812152      8.556222     -0.814840
  C      -6.622089      9.065125      1.191465
  C      -6.204483     10.030777      2.125655
  C      -5.370821      9.666947      3.179962
  C      -4.954276      8.339128      3.304977
  F      -4.174732      8.052322      4.370788
  C      -5.342018      7.337286      2.397737
  C      -4.983486      5.875075      2.479765
  O      -5.630142      5.059747      1.805582
  N      -3.933914      5.567103      3.333134
  C      -3.833583      4.294817      3.677914
  C      -6.185183      7.741235      1.350562
  C     -12.974955     -1.044954      2.171546
  C     -11.978664     -0.919280      3.321151
  O     -12.031692     -1.702083      4.266280
  C     -10.964386      0.198325      3.259219
  C     -10.878846      1.102262      2.133821
  C      -9.894227      2.081057      2.117605
  C      -8.999809      2.179310      3.201916
  F      -8.068505      3.146468      3.147724
  C      -9.069395      1.350119      4.327995
  C      -8.155631      1.455330      5.525609
  O      -8.606380      1.165722      6.657008
  N      -6.850954      1.777091      5.234978
  C      -6.141223      2.238099      6.248330
  C     -10.070156      0.360315      4.339466
  H      -5.231571      4.554686     -0.784266
  H      -3.491301      4.402702     -1.225795
  H      -4.707632      3.308818     -1.929904
  H      -6.640775      2.402091     -1.102804
  H      -8.280429      0.684731     -0.353345
  H      -4.064545     -1.855910      5.144101
  H      -4.171863      1.369967      2.223564
  H      -8.614367     11.082648      0.877721
  H      -7.264681     11.541159     -0.168268
  H      -8.755570     10.875587     -0.899056
  H      -6.528126     11.069827      2.037323
  H      -5.040441     10.392579      3.922900
  H      -4.620964      3.554063      3.356602
  H      -6.520269      6.983158      0.642073
  H     -13.694671     -1.824511      2.416110
  H     -12.467221     -1.315187      1.240217
  H     -13.493406     -0.105174      1.985877
  H     -11.562534      1.006206      1.282888
  H      -9.785270      2.739666      1.289572
  H      -6.647740      2.554121      7.177444
  H     -10.156330     -0.283450      5.206872
  N      -1.962307      1.374047      2.991461
  H      -1.900915      0.370659      2.784296
  H      -1.009580      1.692086      3.202068
  H      -2.240233      1.845983      2.107189
90
Coordinates from ORCA-job orca E -6670.644472339169
  N      -2.987602     -0.002559      5.514270
  Mo     -3.486740      1.808412      4.702193
  N      -4.816432      2.370217      6.203932
  C      -4.204133      3.163206      7.268139
  C      -2.843012      2.582799      7.609058
  N      -2.042726      2.237800      6.373427
  C      -1.217580      1.015578      6.650206
  C      -2.113954     -0.218017      6.633178
  C      -1.132001      3.353790      5.959059
  C      -1.913337      4.450192      5.247132
  N      -2.921060      3.753822      4.476500
  H      -1.503670     -1.129778      6.523254
  H      -2.692776     -0.317905      7.566996
  H      -0.481306      0.935662      5.839912
  H      -0.677280      1.124551      7.605197
  H      -2.391678      5.155411      5.947926
  H      -1.245458      5.045354      4.604495
  H      -0.578243      3.737974      6.832131
  H      -0.405657      2.915599      5.261092
  H      -4.825914      3.173415      8.179526
  H      -4.109091      4.210991      6.936541
  H      -2.991285      1.649197      8.165399
  H      -2.257395      3.266240      8.243832
  C      -4.470960      3.847213     -1.086025
  C      -4.231296      2.931702      0.085102
  O      -3.151677      2.944596      0.685951
  C      -5.314979      2.003045      0.500931
  C      -6.510347      1.804257     -0.215722
  C      -7.417846      0.841939      0.206259
  C      -7.139990      0.067757      1.334248
  F      -8.039963     -0.863637      1.683120
  C      -5.974482      0.253795      2.098293
  C      -5.555918     -0.610035      3.246234
  O      -6.009295     -1.744412      3.438930
  N      -4.538455     -0.055436      3.997146
  C      -3.874312     -0.782203      4.916238
  C      -5.100690      1.235713      1.644394
  C      -8.020278     10.791943     -0.087182
  C      -7.458426      9.389779      0.020640
  O      -7.713906      8.544810     -0.834533
  C      -6.590930      9.061044      1.191585
  C      -6.205234     10.026365      2.138320
  C      -5.399628      9.666493      3.211822
  C      -4.979830      8.343243      3.343514
  F      -4.227981      8.061846      4.428337
  C      -5.338722      7.341540      2.422983
  C      -4.977435      5.881349      2.507029
  O      -5.599866      5.066313      1.807904
  N      -3.938490      5.575707      3.368553
  C      -3.838134      4.304038      3.700211
  C      -6.152839      7.742873      1.357373
  C     -12.941647     -1.037960      2.182448
  C     -11.947015     -0.906285      3.316465
  O     -11.970934     -1.700102      4.255205
  C     -10.942054      0.196429      3.255530
  C     -10.855342      1.080266      2.154544
  C      -9.889018      2.075576      2.133392
  C      -8.997353      2.179177      3.204286
  F      -8.090688      3.177456      3.143157
  C      -9.055059      1.337937      4.318093
  C      -8.147087      1.441474      5.509363
  O      -8.598679      1.142457      6.628747
  N      -6.843862      1.770089      5.226523
  C      -6.140571      2.225762      6.246812
  C     -10.051009      0.358726      4.322181
  H      -5.287164      4.545868     -0.844190
  H      -3.553584      4.401950     -1.303082
  H      -4.781833      3.285228     -1.978581
  H      -6.737075      2.391147     -1.105520
  H      -8.351815      0.671139     -0.330217
  H      -4.043532     -1.844064      5.132275
  H      -4.172919      1.390299      2.193940
  H      -8.587282     11.059876      0.816180
  H      -7.209460     11.530085     -0.189959
  H      -8.673583     10.848989     -0.963783
  H      -6.531713     11.062339      2.044504
  H      -5.093222     10.392487      3.965511
  H      -4.618324      3.567547      3.366563
  H      -6.462329      6.985564      0.637094
  H     -13.657665     -1.827102      2.427410
  H     -12.420332     -1.297507      1.251240
  H     -13.478133     -0.097091      2.003431
  H     -11.542851      0.992641      1.308102
  H      -9.806577      2.784252      1.294526
  H      -6.652703      2.533106      7.176348
  H     -10.135296     -0.286953      5.181591
  N      -1.951282      1.391062      3.002516
  H      -1.887342      0.392160      2.786341
  H      -1.002812      1.706047      3.217540
  H      -2.227459      1.869423      2.126291
90
Coordinates from ORCA-job orca E -6670.640262218758
  N      -2.973216     -0.002223      5.521269
  Mo     -3.488489      1.803892      4.705612
  N      -4.804212      2.365072      6.217799
  C      -4.184070      3.163662      7.274309
  C      -2.816440      2.589921      7.602114
  N      -2.029374      2.245794      6.357618
  C      -1.193259      1.031351      6.633645
  C      -2.084166     -0.209843      6.632843
  C      -1.127200      3.366255      5.930438
  C      -1.920141      4.456316      5.223168
  N      -2.931761      3.752025      4.462879
  H      -1.470151     -1.118288      6.518724
  H      -2.652371     -0.310324      7.575140
  H      -0.464487      0.952933      5.815439
  H      -0.642818      1.148977      7.584039
  H      -2.394715      5.159592      5.925742
  H      -1.261290      5.054343      4.571720
  H      -0.566247      3.755766      6.797032
  H      -0.405242      2.933199      5.226251
  H      -4.796693      3.171966      8.192213
  H      -4.096769      4.211928      6.938089
  H      -2.956288      1.656406      8.164393
  H      -2.225187      3.277108      8.229864
  C      -4.491414      3.826787     -1.072755
  C      -4.242361      2.906833      0.093151
  O      -3.136072      2.912234      0.684287
  C      -5.319957      1.976506      0.515072
  C      -6.508291      1.769223     -0.204387
  C      -7.425027      0.810831      0.231749
  C      -7.158908      0.046882      1.371025
  F      -8.068082     -0.878801      1.731730
  C      -5.994596      0.238936      2.134985
  C      -5.582314     -0.618014      3.289776
  O      -6.021361     -1.748888      3.490077
  N      -4.549999     -0.064036      4.027959
  C      -3.871306     -0.784427      4.939461
  C      -5.112890      1.217904      1.669245
  C      -8.018300     10.787650     -0.102361
  C      -7.451882      9.387718      0.008242
  O      -7.691565      8.545944     -0.849690
  C      -6.599584      9.057739      1.190191
  C      -6.231596     10.020000      2.148106
  C      -5.440286      9.658615      3.231367
  C      -5.017428      8.336959      3.362354
  F      -4.281351      8.053962      4.457655
  C      -5.360147      7.337973      2.430871
  C      -4.997984      5.878591      2.515272
  O      -5.601180      5.065056      1.793808
  N      -3.958895      5.573974      3.373027
  C      -3.855800      4.301768      3.695329
  C      -6.158787      7.741128      1.354737
  C     -12.938710     -0.960802      2.092827
  C     -11.950817     -0.866906      3.248025
  O     -11.987389     -1.661431      4.171894
  C     -10.940120      0.229639      3.221512
  C     -10.821970      1.095364      2.157884
  C      -9.859013      2.107218      2.161457
  C      -8.993762      2.228181      3.229309
  F      -8.076976      3.223836      3.199372
  C      -9.051973      1.339203      4.337236
  C      -8.141090      1.386664      5.559125
  O      -8.588583      1.085335      6.663424
  N      -6.838923      1.746777      5.261899
  C      -6.128142      2.210294      6.274533
  C     -10.054262      0.360768      4.305816
  H      -5.304247      4.517321     -0.825395
  H      -3.580989      4.387160     -1.297298
  H      -4.808657      3.264809     -1.963552
  H      -6.725852      2.348791     -1.104427
  H      -8.354700      0.635218     -0.304416
  H      -4.036867     -1.842150      5.159772
  H      -4.187092      1.377596      2.219793
  H      -8.600475     11.048665      0.793964
  H      -7.208760     11.530606     -0.189305
  H      -8.659192     10.845427     -0.989727
  H      -6.561278     11.055186      2.055398
  H      -5.147827     10.382596      3.994176
  H      -4.637857      3.566720      3.363331
  H      -6.453407      6.985528      0.624613
  H     -13.663716     -1.757847      2.312893
  H     -12.418284     -1.205241      1.143826
  H     -13.461719      0.002434      1.936405
  H     -11.483301      0.988470      1.317109
  H      -9.746529      2.786987      1.355773
  H      -6.633934      2.510923      7.211252
  H     -10.122197     -0.370771      5.181470
  N      -1.967999      1.387857      2.990511
  H      -1.907189      0.389065      2.774356
  H      -1.016481      1.702970      3.194285
  H      -2.254614      1.865747      2.118129
90
Coordinates from ORCA-job orca E -6670.645286002929
  N      -2.967740     -0.004586      5.516233
  Mo     -3.483352      1.800526      4.701344
  N      -4.808043      2.362332      6.204955
  C      -4.194552      3.158627      7.265979
  C      -2.829461      2.584215      7.600390
  N      -2.034067      2.243777      6.360882
  C      -1.197029      1.030228      6.637516
  C      -2.083664     -0.211271      6.629795
  C      -1.133899      3.366231      5.939622
  C      -1.926279      4.454284      5.228723
  N      -2.931001      3.749424      4.460906
  H      -1.466043     -1.117466      6.516392
  H      -2.654810     -0.315529      7.568431
  H      -0.463950      0.954495      5.823567
  H      -0.652400      1.146434      7.589160
  H      -2.408104      5.156203      5.928529
  H      -1.264624      5.054139      4.583572
  H      -0.579486      3.756644      6.809137
  H      -0.406625      2.934034      5.240037
  H      -4.812444      3.165392      8.179929
  H      -4.105991      4.206858      6.933488
  H      -2.972141      1.649424      8.157192
  H      -2.243363      3.269180      8.233201
  C      -4.489589      3.833046     -1.063055
  C      -4.239752      2.907300      0.097008
  O      -3.148085      2.908292      0.683047
  C      -5.316677      1.978615      0.517806
  C      -6.512112      1.779812     -0.194139
  C      -7.424913      0.822012      0.238640
  C      -7.150756      0.052875      1.371300
  F      -8.058656     -0.871588      1.732290
  C      -5.982467      0.238156      2.129241
  C      -5.566595     -0.620959      3.280956
  O      -6.014054     -1.753429      3.480299
  N      -4.541121     -0.066236      4.021377
  C      -3.864937     -0.787107      4.935772
  C      -5.102989      1.214499      1.664721
  C      -8.006559     10.798378     -0.103482
  C      -7.444909      9.396940      0.007300
  O      -7.687562      8.555125     -0.853025
  C      -6.594091      9.064848      1.189383
  C      -6.225916     10.025428      2.147982
  C      -5.435241      9.662060      3.231087
  C      -5.012623      8.340002      3.360662
  F      -4.275830      8.054857      4.454756
  C      -5.354743      7.342978      2.428403
  C      -4.990930      5.883862      2.508756
  O      -5.596952      5.072348      1.788453
  N      -3.955827      5.575442      3.372072
  C      -3.852299      4.301150      3.690537
  C      -6.153852      7.747812      1.353315
  C     -12.937079     -0.997970      2.131087
  C     -11.946660     -0.883895      3.273814
  O     -11.972992     -1.689843      4.202671
  C     -10.939289      0.213580      3.234948
  C     -10.846408      1.104257      2.152193
  C      -9.883985      2.107834      2.146616
  C      -8.998457      2.205567      3.218017
  F      -8.088735      3.200991      3.176501
  C      -9.051786      1.336551      4.322064
  C      -8.139938      1.409875      5.522558
  O      -8.586566      1.097569      6.635615
  N      -6.838391      1.756693      5.234348
  C      -6.132224      2.212202      6.252996
  C     -10.049390      0.359957      4.305876
  H      -5.298332      4.531851     -0.803418
  H      -3.573819      4.387164     -1.287581
  H      -4.814107      3.279138     -1.955847
  H      -6.738074      2.364488     -1.086478
  H      -8.361498      0.652327     -0.292480
  H      -4.031646     -1.846487      5.159851
  H      -4.173877      1.367749      2.209802
  H      -8.590436     11.059986      0.791206
  H      -7.194875     11.538470     -0.187447
  H      -8.644437     10.858945     -0.991532
  H      -6.554759     11.060491      2.056197
  H      -5.142631     10.384424      3.993955
  H      -4.628425      3.566928      3.348879
  H      -6.448770      6.993731      0.623774
  H     -13.653477     -1.794260      2.360480
  H     -12.413893     -1.243131      1.193342
  H     -13.471474     -0.051535      1.966083
  H     -11.528932      1.021128      1.305007
  H      -9.794213      2.816418      1.323585
  H      -6.642194      2.513956      7.186382
  H     -10.126006     -0.317036      5.161977
  N      -1.954848      1.380430      2.995925
  H      -1.896089      0.382200      2.777632
  H      -1.004000      1.690895      3.205741
  H      -2.235029      1.861331      2.123088
90
Coordinates from ORCA-job orca E -6670.645146941722
  N      -2.952450     -0.009439      5.512863
  Mo     -3.467388      1.793468      4.689511
  N      -4.811187      2.359640      6.175406
  C      -4.213782      3.160051      7.244392
  C      -2.851894      2.588531      7.596968
  N      -2.041071      2.248783      6.366021
  C      -1.200046      1.038000      6.653282
  C      -2.079390     -0.209487      6.635632
  C      -1.142610      3.376086      5.952913
  C      -1.931147      4.458868      5.227760
  N      -2.922273      3.747998      4.444780
  H      -1.455438     -1.112678      6.528865
  H      -2.658953     -0.315946      7.568283
  H      -0.457276      0.965375      5.848437
  H      -0.666821      1.161188      7.612169
  H      -2.426594      5.162710      5.919861
  H      -1.262434      5.059508      4.590580
  H      -0.601630      3.772261      6.829900
  H      -0.403617      2.943061      5.263773
  H      -4.842469      3.166021      8.151768
  H      -4.124800      4.209065      6.912637
  H      -2.998448      1.652647      8.150549
  H      -2.273696      3.274741      8.236966
  C      -4.484784      3.866645     -1.034316
  C      -4.237111      2.931647      0.119046
  O      -3.152348      2.940498      0.709205
  C      -5.324421      1.993664      0.534355
  C      -6.527324      1.794513     -0.180382
  C      -7.420795      0.823118      0.229832
  C      -7.129971      0.044750      1.350826
  F      -8.010820     -0.897666      1.684733
  C      -5.965512      0.233488      2.118785
  C      -5.545050     -0.628602      3.269166
  O      -6.011732     -1.761674      3.466439
  N      -4.522643     -0.072194      4.017458
  C      -3.852589     -0.792813      4.936479
  C      -5.098772      1.220325      1.670414
  C      -7.975110     10.834759     -0.105350
  C      -7.409329      9.431914     -0.010117
  O      -7.639615      8.602309     -0.888398
  C      -6.570070      9.083809      1.176763
  C      -6.221821     10.032146      2.156540
  C      -5.441138      9.656577      3.243800
  C      -5.009124      8.334152      3.356308
  F      -4.282773      8.035216      4.454355
  C      -5.331803      7.349067      2.403742
  C      -4.955637      5.890611      2.466273
  O      -5.558861      5.081923      1.743302
  N      -3.938153      5.579094      3.351450
  C      -3.835682      4.301502      3.664267
  C      -6.121053      7.765675      1.324266
  C     -12.980648     -1.032471      2.191152
  C     -11.969446     -0.916445      3.314797
  O     -11.980374     -1.715085      4.243030
  C     -10.969053      0.190873      3.254799
  C     -10.895364      1.081668      2.170479
  C      -9.931249      2.080021      2.149213
  C      -9.026939      2.178206      3.203556
  F      -8.124042      3.183199      3.141517
  C      -9.063340      1.314404      4.306290
  C      -8.137352      1.399886      5.484704
  O      -8.571621      1.077226      6.602556
  N      -6.838233      1.748340      5.191506
  C      -6.136091      2.206670      6.210984
  C     -10.056733      0.330841      4.311737
  H      -5.296485      4.558381     -0.769526
  H      -3.572768      4.431188     -1.249859
  H      -4.800747      3.318298     -1.932490
  H      -6.761232      2.385044     -1.065265
  H      -8.351504      0.648266     -0.310814
  H      -4.026130     -1.852920      5.167272
  H      -4.164019      1.374500      2.215900
  H      -8.573495     11.078490      0.784333
  H      -7.166974     11.581071     -0.163306
  H      -8.599373     10.908160     -1.002357
  H      -6.558687     11.067463      2.078049
  H      -5.163861     10.369115      4.022804
  H      -4.603881      3.566692      3.304398
  H      -6.400003      7.020297      0.577855
  H     -13.690832     -1.828008      2.436155
  H     -12.472922     -1.277948      1.245107
  H     -13.523091     -0.087641      2.032910
  H     -11.590381      0.994949      1.338149
  H      -9.857631      2.788809      1.324187
  H      -6.650590      2.507423      7.140827
  H     -10.117447     -0.345227      5.168418
  N      -1.924238      1.364427      2.995853
  H      -1.873545      0.364998      2.776505
  H      -0.971603      1.667136      3.212663
  H      -2.195464      1.847881      2.121225
90
Coordinates from ORCA-job orca E -6670.645674881578
  N      -2.943353     -0.003597      5.524379
  Mo     -3.466831      1.793910      4.692902
  N      -4.807936      2.369592      6.176471
  C      -4.209172      3.171339      7.242557
  C      -2.846439      2.601453      7.590935
  N      -2.038238      2.261898      6.359103
  C      -1.190456      1.058866      6.649136
  C      -2.062166     -0.192797      6.642560
  C      -1.147709      3.390852      5.938311
  C      -1.941149      4.465060      5.209235
  N      -2.927910      3.747805      4.427955
  H      -1.433396     -1.091894      6.535280
  H      -2.634760     -0.299264      7.579190
  H      -0.450596      0.985533      5.841785
  H      -0.655195      1.188681      7.604319
  H      -2.440230      5.168488      5.897049
  H      -1.275625      5.066273      4.570097
  H      -0.607576      3.793956      6.811097
  H      -0.407843      2.959777      5.249867
  H      -4.835511      3.177003      8.151089
  H      -4.123004      4.219291      6.909590
  H      -2.992369      1.666191      8.144985
  H      -2.268688      3.287603      8.229896
  C      -4.570147      3.811107     -1.079043
  C      -4.276578      2.870026      0.070805
  O      -3.178372      2.877638      0.635007
  C      -5.348933      1.931033      0.521545
  C      -6.546934      1.715791     -0.179100
  C      -7.451012      0.755244      0.275212
  C      -7.166470      0.002144      1.419583
  F      -8.067138     -0.923482      1.801321
  C      -5.993138      0.202420      2.166614
  C      -5.570333     -0.639980      3.330226
  O      -6.027203     -1.766165      3.551004
  N      -4.539396     -0.079219      4.057069
  C      -3.859691     -0.789860      4.973762
  C      -5.121814      1.178491      1.679595
  C      -7.951381     10.873249     -0.078754
  C      -7.382359      9.472082      0.007810
  O      -7.601302      8.651111     -0.878672
  C      -6.554779      9.114243      1.199534
  C      -6.222563     10.050911      2.195075
  C      -5.453192      9.665039      3.286298
  C      -5.016831      8.343801      3.387247
  F      -4.302922      8.034523      4.490155
  C      -5.324650      7.370073      2.418387
  C      -4.947885      5.911885      2.467633
  O      -5.547180      5.112600      1.733283
  N      -3.938337      5.588574      3.354328
  C      -3.841080      4.306991      3.652014
  C      -6.101523      7.797339      1.335112
  C     -12.926633     -1.036557      2.127285
  C     -11.926595     -0.922016      3.257844
  O     -11.934948     -1.730269      4.175450
  C     -10.936735      0.198876      3.216355
  C     -10.864602      1.109013      2.144734
  C      -9.906330      2.114112      2.144409
  C      -9.006342      2.199189      3.207431
  F      -8.108872      3.210520      3.167226
  C      -9.045359      1.326076      4.292575
  C      -8.126031      1.404341      5.473215
  O      -8.558178      1.057967      6.586885
  N      -6.831112      1.759816      5.191967
  C      -6.132400      2.218078      6.212693
  C     -10.031771      0.332774      4.278956
  H      -5.372521      4.490664     -0.780879
  H      -3.666467      4.381886     -1.324917
  H      -4.919846      3.273211     -1.975262
  H      -6.777715      2.289076     -1.081459
  H      -8.384516      0.570676     -0.249401
  H      -4.038542     -1.845501      5.221860
  H      -4.183960      1.340487      2.211874
  H      -8.564715     11.102770      0.805094
  H      -7.144873     11.622297     -0.114190
  H      -8.561812     10.956180     -0.984335
  H      -6.563612     11.084986      2.126343
  H      -5.188774     10.368487      4.077420
  H      -4.604679      3.577196      3.280097
  H      -6.367270      7.060504      0.575665
  H     -13.631963     -1.841043      2.357727
  H     -12.408951     -1.267193      1.183361
  H     -13.476513     -0.094318      1.976512
  H     -11.554895      1.031351      1.306313
  H      -9.834370      2.837151      1.330249
  H      -6.648528      2.518724      7.141999
  H     -10.097545     -0.344151      5.118966
  N      -1.933350      1.346668      2.999283
  H      -1.897567      0.349039      2.776457
  H      -0.977782      1.633109      3.213315
  H      -2.200880      1.835283      2.127920
90
Coordinates from ORCA-job orca E -6670.644711086395
  N      -2.902772     -0.001977      5.479832
  Mo     -3.481626      1.787289      4.673684
  N      -4.827582      2.312483      6.168558
  C      -4.237593      3.114828      7.239183
  C      -2.857031      2.576354      7.572612
  N      -2.047958      2.273615      6.333329
  C      -1.166982      1.094254      6.606283
  C      -2.009180     -0.178095      6.594776
  C      -1.188667      3.430980      5.915490
  C      -2.017941      4.488095      5.205641
  N      -2.990563      3.752802      4.421567
  H      -1.354019     -1.057176      6.475801
  H      -2.575329     -0.310484      7.533952
  H      -0.428895      1.049965      5.793333
  H      -0.628793      1.226309      7.557411
  H      -2.531836      5.166319      5.901607
  H      -1.370965      5.116880      4.571151
  H      -0.652491      3.839705      6.787360
  H      -0.441669      3.032078      5.218569
  H      -4.858298      3.091573      8.150533
  H      -4.179969      4.168541      6.918512
  H      -2.979575      1.630346      8.116542
  H      -2.290310      3.267704      8.217493
  C      -4.528007      3.856207     -0.963477
  C      -4.248774      2.884226      0.134516
  O      -3.135556      2.854881      0.679280
  C      -5.300153      1.939456      0.542344
  C      -6.498561      1.749339     -0.151680
  C      -7.409778      0.786312      0.283211
  C      -7.118502      0.006252      1.399065
  F      -8.040601     -0.912520      1.777681
  C      -5.937248      0.183245      2.135729
  C      -5.510607     -0.676455      3.282864
  O      -5.920654     -1.813825      3.479637
  N      -4.501991     -0.112602      4.017942
  C      -3.794529     -0.804469      4.931326
  C      -5.065711      1.161043      1.668777
  C      -7.781623     10.946788     -0.193834
  C      -7.299363      9.519588     -0.051397
  O      -7.549883      8.682771     -0.915513
  C      -6.512093      9.158661      1.166005
  C      -6.145919     10.103658      2.136819
  C      -5.413506      9.714903      3.251371
  C      -5.042723      8.382996      3.398967
  F      -4.355775      8.072516      4.517935
  C      -5.383614      7.401465      2.455174
  C      -5.062753      5.938111      2.545328
  O      -5.658327      5.154945      1.788838
  N      -4.046628      5.595286      3.413232
  C      -3.921335      4.307997      3.663079
  C      -6.128137      7.829340      1.350517
  C     -12.993577     -1.087996      2.175852
  C     -11.992213     -0.974262      3.307175
  O     -11.994405     -1.799449      4.226808
  C     -10.997382      0.136114      3.266845
  C     -10.942175      1.049500      2.198858
  C      -9.994798      2.068544      2.185067
  C      -9.084028      2.152458      3.233985
  F      -8.185732      3.152343      3.187033
  C      -9.096858      1.258760      4.324276
  C      -8.151557      1.302561      5.508571
  O      -8.560807      0.955730      6.623821
  N      -6.862400      1.680326      5.203339
  C      -6.152040      2.133813      6.218099
  C     -10.085767      0.274217      4.313371
  H      -5.319563      4.561177     -0.627350
  H      -3.617096      4.407324     -1.186319
  H      -4.885175      3.343572     -1.863352
  H      -6.742512      2.347315     -1.024175
  H      -8.365535      0.626097     -0.227321
  H      -3.940827     -1.856637      5.179160
  H      -4.132685      1.305803      2.196155
  H      -8.403913     11.239295      0.665471
  H      -6.929054     11.641359     -0.229389
  H      -8.366608     11.037796     -1.114539
  H      -6.431125     11.146721      2.030810
  H      -5.124514     10.425316      4.022229
  H      -4.666441      3.577298      3.266441
  H      -6.420627      7.082892      0.613360
  H     -13.695065     -1.897979      2.399559
  H     -12.480586     -1.311359      1.233436
  H     -13.539388     -0.152581      2.031606
  H     -11.645849      0.976918      1.368013
  H      -9.937398      2.800190      1.367078
  H      -6.663675      2.412605      7.159989
  H     -10.136928     -0.407972      5.150727
  N      -1.949818      1.387540      2.969304
  H      -1.896538      0.390664      2.735617
  H      -0.990168      1.691640      3.176298
  H      -2.239624      1.882927      2.105007
90
Coordinates from ORCA-job orca E -6670.646404757650
  N      -2.906052     -0.003923      5.517816
  Mo     -3.463760      1.784693      4.688777
  N      -4.796822      2.347999      6.177048
  C      -4.202692      3.157270      7.240849
  C      -2.832274      2.602009      7.582038
  N      -2.031433      2.273505      6.343321
  C      -1.161735      1.084744      6.629908
  C      -2.014246     -0.179845      6.631052
  C      -1.162018      3.416257      5.913833
  C      -1.978015      4.476708      5.190385
  N      -2.956444      3.746335      4.408637
  H      -1.373320     -1.069771      6.521455
  H      -2.578775     -0.293531      7.571908
  H      -0.426163      1.023309      5.817520
  H      -0.621747      1.224752      7.580753
  H      -2.485132      5.170588      5.879035
  H      -1.324678      5.090623      4.550442
  H      -0.621949      3.828953      6.782354
  H      -0.420863      2.997485      5.221352
  H      -4.824692      3.154354      8.152058
  H      -4.130689      4.206933      6.907629
  H      -2.965715      1.663157      8.135563
  H      -2.255492      3.292213      8.217734
  C      -4.633426      3.804397     -1.025675
  C      -4.330809      2.851865      0.101369
  O      -3.210757      2.843381      0.636245
  C      -5.378297      1.907143      0.550906
  C      -6.593620      1.697373     -0.127956
  C      -7.486079      0.734851      0.331804
  C      -7.179397     -0.019760      1.465828
  F      -8.070153     -0.947020      1.855496
  C      -5.995130      0.178706      2.195344
  C      -5.564851     -0.657791      3.359295
  O      -6.039295     -1.780640      3.595462
  N      -4.520233     -0.091346      4.075076
  C      -3.823792     -0.795872      4.987113
  C      -5.127584      1.151826      1.697354
  C      -7.842598     10.924872     -0.145980
  C      -7.314553      9.511944     -0.027309
  O      -7.528546      8.687444     -0.911413
  C      -6.530364      9.147052      1.190765
  C      -6.205807     10.081418      2.189976
  C      -5.473086      9.687759      3.303271
  C      -5.061621      8.361604      3.420874
  F      -4.377577      8.045171      4.540698
  C      -5.362091      7.390724      2.448649
  C      -5.003902      5.929772      2.505024
  O      -5.582070      5.141345      1.733096
  N      -3.993192      5.595730      3.383727
  C      -3.879824      4.307649      3.645808
  C      -6.107027      7.824392      1.346282
  C     -12.916426     -1.032207      2.069800
  C     -11.925547     -0.928266      3.213200
  O     -11.935148     -1.762703      4.123561
  C     -10.927397      0.171674      3.202308
  C     -10.864020      1.101013      2.146591
  C      -9.915819      2.117665      2.160034
  C      -9.015019      2.190739      3.223487
  F      -8.115404      3.192612      3.205792
  C      -9.039640      1.284793      4.298395
  C      -8.111606      1.328199      5.487943
  O      -8.536199      0.968462      6.595789
  N      -6.819714      1.717799      5.198445
  C      -6.120142      2.177287      6.219015
  C     -10.027373      0.301182      4.262147
  H      -5.418543      4.505072     -0.695279
  H      -3.723619      4.362083     -1.281404
  H      -5.007216      3.275867     -1.916870
  H      -6.848758      2.275845     -1.016364
  H      -8.434567      0.553212     -0.176098
  H      -3.990224     -1.848594      5.244880
  H      -4.184443      1.312339      2.215876
  H      -8.483519     11.177609      0.712008
  H      -7.015056     11.651597     -0.156060
  H      -8.417630     11.014604     -1.073657
  H      -6.524533     11.119750      2.106976
  H      -5.215863     10.389408      4.097304
  H      -4.633635      3.581696      3.253743
  H      -6.369517      7.087351      0.587970
  H     -13.616919     -1.850515      2.279332
  H     -12.391680     -1.239969      1.122409
  H     -13.468644     -0.092750      1.933158
  H     -11.563695      1.044853      1.302172
  H      -9.849178      2.853418      1.358094
  H      -6.635292      2.464513      7.154315
  H     -10.081016     -0.407047      5.095588
  N      -1.940614      1.348897      2.979737
  H      -1.908686      0.350454      2.754107
  H      -0.980860      1.635078      3.181267
  H      -2.223292      1.841254      2.115562
90
Coordinates from ORCA-job orca E -6670.645729970649
  N      -2.910354     -0.006316      5.507217
  Mo     -3.465612      1.784131      4.671187
  N      -4.816729      2.352572      6.148307
  C      -4.233749      3.164199      7.218950
  C      -2.865905      2.612474      7.575094
  N      -2.049353      2.283192      6.343925
  C      -1.181288      1.095836      6.639775
  C      -2.030518     -0.172870      6.632886
  C      -1.178173      3.428570      5.918637
  C      -1.987425      4.485098      5.181588
  N      -2.954461      3.749436      4.388970
  H      -1.383697     -1.060241      6.532695
  H      -2.605732     -0.286552      7.567959
  H      -0.437723      1.036233      5.834461
  H      -0.651247      1.239056      7.598435
  H      -2.504649      5.181408      5.864430
  H      -1.327646      5.098834      4.546394
  H      -0.648379      3.845693      6.793247
  H      -0.428412      3.007411      5.233357
  H      -4.864082      3.159815      8.125781
  H      -4.160530      4.214039      6.886002
  H      -3.003608      1.674170      8.128110
  H      -2.296757      3.305622      8.217320
  C      -4.594927      3.839266     -1.014316
  C      -4.278268      2.872311      0.102196
  O      -3.180017      2.886949      0.653128
  C      -5.357347      1.908430      0.549559
  C      -6.570238      1.694563     -0.138023
  C      -7.455627      0.714212      0.298891
  C      -7.143482     -0.054914      1.420485
  F      -8.013270     -1.002081      1.779276
  C      -5.968094      0.148112      2.163984
  C      -5.529858     -0.696035      3.321683
  O      -5.949176     -1.831772      3.530457
  N      -4.513589     -0.119409      4.052030
  C      -3.818817     -0.809016      4.973352
  C      -5.112166      1.138954      1.689017
  C      -7.789154     11.002600     -0.131782
  C      -7.264312      9.582605     -0.041771
  O      -7.467286      8.779646     -0.952356
  C      -6.499922      9.184778      1.181717
  C      -6.196608     10.098620      2.209303
  C      -5.481115      9.680854      3.326481
  C      -5.067844      8.350339      3.420458
  F      -4.403246      8.008077      4.545063
  C      -5.350315      7.398168      2.422648
  C      -4.983164      5.936856      2.461401
  O      -5.582331      5.148770      1.717931
  N      -3.987987      5.602041      3.359168
  C      -3.871722      4.311589      3.615198
  C      -6.075300      7.855358      1.313642
  C     -12.972692     -1.094859      2.177642
  C     -11.956085     -0.982677      3.296016
  O     -11.954239     -1.786431      4.211421
  C     -10.970753      0.147933      3.242413
  C     -10.915162      1.063976      2.173033
  C      -9.954649      2.067745      2.164142
  C      -9.041150      2.154417      3.211805
  F      -8.149280      3.178536      3.162247
  C      -9.062365      1.273691      4.293914
  C      -8.126390      1.352156      5.456422
  O      -8.540018      0.993363      6.572978
  N      -6.838443      1.723524      5.164920
  C      -6.141026      2.184534      6.182771
  C     -10.046677      0.274252      4.292950
  H      -5.396705      4.499171     -0.684656
  H      -3.709294      4.433870     -1.252609
  H      -4.944341      3.320465     -1.915703
  H      -6.815394      2.280410     -1.025328
  H      -8.389801      0.526540     -0.222343
  H      -3.985372     -1.862362      5.241009
  H      -4.163943      1.298696      2.209322
  H      -8.446700     11.231538      0.720021
  H      -6.962388     11.730162     -0.104720
  H      -8.345668     11.120452     -1.068831
  H      -6.518124     11.140988      2.144869
  H      -5.239876     10.366559      4.141941
  H      -4.615251      3.581888      3.204324
  H      -6.316437      7.134327      0.529276
  H     -13.670734     -1.899275      2.416934
  H     -12.472207     -1.322765      1.224751
  H     -13.527925     -0.151836      2.037976
  H     -11.614276      0.981236      1.348956
  H      -9.893920      2.789446      1.352028
  H      -6.658569      2.476777      7.113785
  H     -10.093478     -0.415146      5.133087
  N      -1.930425      1.334740      2.980831
  H      -1.903421      0.334187      2.758991
  H      -0.969029      1.616957      3.189074
  H      -2.203431      1.824218      2.108661
90
Coordinates from ORCA-job orca E -6670.647325935075
  N      -2.889922     -0.002746      5.498592
  Mo     -3.462220      1.783195      4.672497
  N      -4.815594      2.334556      6.149361
  C      -4.239721      3.144669      7.222990
  C      -2.867206      2.601323      7.574083
  N      -2.050667      2.286035      6.341767
  C      -1.169567      1.107288      6.630560
  C      -2.006421     -0.167649      6.620943
  C      -1.192353      3.440166      5.921372
  C      -2.013920      4.490747      5.191868
  N      -2.971665      3.750922      4.392985
  H      -1.352114     -1.048638      6.515936
  H      -2.578817     -0.289860      7.555910
  H      -0.426559      1.057998      5.824020
  H      -0.639533      1.250619      7.586025
  H      -2.539870      5.176242      5.876202
  H      -1.360074      5.115301      4.562724
  H      -0.666260      3.858309      6.795466
  H      -0.438879      3.031545      5.234730
  H      -4.870408      3.129430      8.128163
  H      -4.176022      4.196126      6.896447
  H      -2.998263      1.659006      8.120630
  H      -2.302712      3.292975      8.219179
  C      -4.668623      3.858095     -0.991691
  C      -4.336343      2.887561      0.111447
  O      -3.222960      2.895672      0.650914
  C      -5.369035      1.911557      0.542578
  C      -6.568947      1.686594     -0.150342
  C      -7.445389      0.702722      0.288767
  C      -7.134164     -0.058158      1.417114
  F      -8.021793     -0.999787      1.795993
  C      -5.957000      0.152289      2.157853
  C      -5.528980     -0.684716      3.324420
  O      -5.978602     -1.816800      3.546257
  N      -4.504520     -0.109605      4.053121
  C      -3.805514     -0.803665      4.972209
  C      -5.108017      1.145967      1.679743
  C      -7.709496     11.016319     -0.180448
  C      -7.216639      9.590047     -0.058266
  O      -7.428985      8.774879     -0.952144
  C      -6.469220      9.201092      1.176198
  C      -6.155607     10.122315      2.190660
  C      -5.456150      9.709190      3.318205
  C      -5.065945      8.376500      3.434380
  F      -4.414294      8.040182      4.567272
  C      -5.357367      7.417751      2.448123
  C      -5.012028      5.954216      2.502098
  O      -5.610694      5.173613      1.749053
  N      -4.016310      5.609253      3.393597
  C      -3.892385      4.315635      3.626353
  C      -6.069863      7.869960      1.331283
  C     -12.965121     -1.123374      2.178017
  C     -11.951776     -1.003489      3.293998
  O     -11.937179     -1.819567      4.207481
  C     -10.972944      0.125499      3.244082
  C     -10.927888      1.042902      2.183260
  C      -9.979830      2.057950      2.172365
  C      -9.061337      2.141536      3.215212
  F      -8.172578      3.157585      3.168398
  C      -9.065661      1.247072      4.293925
  C      -8.121093      1.306446      5.461733
  O      -8.527329      0.940799      6.577049
  N      -6.836293      1.692493      5.166818
  C      -6.138823      2.153618      6.185675
  C     -10.046645      0.251661      4.288250
  H      -5.467933      4.528684     -0.638726
  H      -3.776259      4.445012     -1.236375
  H      -5.035565      3.342814     -1.894852
  H      -6.826320      2.271053     -1.034180
  H      -8.387808      0.511026     -0.227167
  H      -3.969955     -1.857398      5.239096
  H      -4.170643      1.316999      2.205817
  H      -8.372385     11.275278      0.658804
  H      -6.866685     11.724422     -0.157316
  H      -8.253437     11.127553     -1.124415
  H      -6.457407     11.166390      2.108531
  H      -5.208845     10.400648      4.124075
  H      -4.626707      3.591201      3.200405
  H      -6.322065      7.142104      0.559366
  H     -13.655032     -1.940049      2.412949
  H     -12.456727     -1.338393      1.226427
  H     -13.531608     -0.188906      2.042705
  H     -11.632442      0.964700      1.361436
  H      -9.931212      2.790241      1.361804
  H      -6.657607      2.435262      7.120364
  H     -10.084513     -0.442353      5.122795
  N      -1.927254      1.347981      2.977542
  H      -1.901805      0.350617      2.746311
  H      -0.966124      1.625635      3.185177
  H      -2.202370      1.845198      2.113841
90
Coordinates from ORCA-job orca E -6670.646383057180
  N      -2.864268     -0.002518      5.504798
  Mo     -3.464825      1.772284      4.669441
  N      -4.796251      2.330291      6.158745
  C      -4.209372      3.151028      7.218647
  C      -2.829626      2.617069      7.555077
  N      -2.031474      2.299453      6.312330
  C      -1.134859      1.132437      6.598784
  C      -1.959962     -0.151401      6.613897
  C      -1.190860      3.459130      5.867940
  C      -2.034248      4.496157      5.143112
  N      -2.995232      3.742888      4.357577
  H      -1.298722     -1.026463      6.504111
  H      -2.514890     -0.273979      7.560311
  H      -0.404730      1.083865      5.780140
  H      -0.590784      1.288067      7.544761
  H      -2.557063      5.178898      5.829271
  H      -1.395590      5.125950      4.502713
  H      -0.653978      3.889246      6.730133
  H      -0.446053      3.053067      5.172312
  H      -4.827870      3.138878      8.132091
  H      -4.155639      4.200707      6.882646
  H      -2.947738      1.676590      8.110527
  H      -2.258848      3.316082      8.187438
  C      -4.643581      3.765651     -0.977749
  C      -4.344952      2.799931      0.128540
  O      -3.211443      2.775047      0.630049
  C      -5.401708      1.855773      0.596577
  C      -6.633343      1.652308     -0.057029
  C      -7.524678      0.688440      0.416879
  C      -7.197352     -0.070437      1.540399
  F      -8.076289     -1.000323      1.939800
  C      -5.999389      0.126222      2.247140
  C      -5.540209     -0.706654      3.401782
  O      -5.974767     -1.832934      3.643283
  N      -4.506818     -0.125659      4.101739
  C      -3.788639     -0.806167      5.009397
  C      -5.136684      1.097730      1.735784
  C      -7.698788     11.028603     -0.190920
  C      -7.204237      9.604642     -0.064370
  O      -7.389514      8.794692     -0.968071
  C      -6.489707      9.209510      1.186690
  C      -6.209694     10.121272      2.220424
  C      -5.540008      9.698550      3.362725
  C      -5.144591      8.366308      3.473679
  F      -4.521956      8.020755      4.620954
  C      -5.402335      7.417721      2.467029
  C      -5.053258      5.953599      2.508251
  O      -5.616377      5.180836      1.703202
  N      -4.052298      5.605078      3.390367
  C      -3.926235      4.308477      3.604018
  C      -6.086494      7.879414      1.337374
  C     -12.921472     -1.036662      2.025329
  C     -11.930382     -0.960292      3.178144
  O     -11.939644     -1.819092      4.071830
  C     -10.932483      0.141036      3.195830
  C     -10.885048      1.105466      2.164002
  C      -9.942725      2.130604      2.197415
  C      -9.032330      2.178310      3.256628
  F      -8.134675      3.180649      3.260591
  C      -9.042996      1.241186      4.306399
  C      -8.102466      1.252936      5.492125
  O      -8.508738      0.859406      6.592529
  N      -6.819944      1.676668      5.195108
  C      -6.117123      2.139891      6.211376
  C     -10.026317      0.251281      4.250101
  H      -5.405614      4.477977     -0.628231
  H      -3.738485      4.322350     -1.242313
  H      -5.029281      3.243654     -1.857541
  H      -6.898430      2.233947     -0.939618
  H      -8.480040      0.508182     -0.075241
  H      -3.942820     -1.848605      5.290426
  H      -4.178345      1.251702      2.232174
  H      -8.387145     11.277690      0.630979
  H      -6.860268     11.740355     -0.137657
  H      -8.214842     11.143738     -1.149966
  H      -6.515255     11.164136      2.142497
  H      -5.320035     10.382022      4.183843
  H      -4.662565      3.589567      3.178121
  H      -6.314194      7.159038      0.552471
  H     -13.618394     -1.865548      2.208997
  H     -12.400501     -1.216344      1.068986
  H     -13.471712     -0.096300      1.915207
  H     -11.596880      1.075649      1.319213
  H      -9.883725      2.881594      1.417542
  H      -6.628586      2.417351      7.152375
  H     -10.070341     -0.477298      5.061182
  N      -1.952676      1.338030      2.950085
  H      -1.929546      0.339856      2.722172
  H      -0.987227      1.619120      3.139807
  H      -2.245369      1.833720      2.090206
90
Coordinates from ORCA-job orca E -6670.648001304601
  N      -2.864368      0.000011      5.495582
  Mo     -3.463985      1.776602      4.663240
  N      -4.814314      2.324662      6.141448
  C      -4.241836      3.144029      7.210943
  C      -2.862220      2.615256      7.558412
  N      -2.049373      2.304970      6.322902
  C      -1.150840      1.139630      6.612163
  C      -1.970860     -0.147450      6.614055
  C      -1.209676      3.469159      5.890190
  C      -2.049972      4.504492      5.160206
  N      -2.998044      3.749646      4.360798
  H      -1.304585     -1.019587      6.509044
  H      -2.535403     -0.274109      7.553755
  H      -0.412845      1.097086      5.800424
  H      -0.616201      1.294060      7.563817
  H      -2.584406      5.183189      5.843345
  H      -1.406752      5.139089      4.529435
  H      -0.683260      3.899351      6.758869
  H      -0.455814      3.067686      5.200436
  H      -4.869079      3.124345      8.118354
  H      -4.190689      4.195337      6.880611
  H      -2.982217      1.672469      8.108403
  H      -2.300737      3.314130      8.199275
  C      -4.699445      3.829377     -0.965711
  C      -4.347984      2.847446      0.120912
  O      -3.225814      2.845088      0.638284
  C      -5.386041      1.876354      0.569545
  C      -6.602433      1.657181     -0.101793
  C      -7.480456      0.676684      0.351750
  C      -7.156516     -0.083587      1.475434
  F      -8.028961     -1.026930      1.858745
  C      -5.974405      0.126407      2.201820
  C      -5.534585     -0.705832      3.366025
  O      -5.973312     -1.836026      3.598276
  N      -4.502278     -0.124393      4.079846
  C      -3.788299     -0.806364      4.994106
  C      -5.121185      1.113630      1.707765
  C      -7.612036     11.086833     -0.203365
  C      -7.155420      9.649296     -0.072113
  O      -7.367322      8.839170     -0.971839
  C      -6.442137      9.243234      1.177492
  C      -6.137277     10.153941      2.203993
  C      -5.470081      9.724216      3.345422
  C      -5.100511      8.385861      3.462086
  F      -4.478235      8.033050      4.607123
  C      -5.382637      7.437870      2.463255
  C      -5.052546      5.970914      2.512753
  O      -5.645585      5.201162      1.738611
  N      -4.057021      5.614565      3.398534
  C      -3.924616      4.316087      3.601236
  C      -6.065826      7.905701      1.334331
  C     -12.955337     -1.133733      2.127276
  C     -11.946841     -1.028804      3.254514
  O     -11.933496     -1.864336      4.157215
  C     -10.964087      0.091707      3.231560
  C     -10.929609      1.033471      2.186959
  C      -9.987329      2.055509      2.193543
  C      -9.066030      2.124455      3.236518
  F      -8.180137      3.142256      3.208972
  C      -9.061873      1.208830      4.297950
  C      -8.113081      1.250819      5.465433
  O      -8.510888      0.862797      6.574921
  N      -6.833794      1.662264      5.168536
  C      -6.135748      2.128700      6.184822
  C     -10.039371      0.210656      4.273579
  H      -5.486751      4.501280     -0.589414
  H      -3.811727      4.414137     -1.220442
  H      -5.085229      3.327397     -1.864999
  H      -6.867003      2.241286     -0.982823
  H      -8.427872      0.486153     -0.152381
  H      -3.947944     -1.854003      5.275896
  H      -4.175482      1.280367      2.219373
  H      -8.292148     11.358910      0.618328
  H      -6.754120     11.774841     -0.154638
  H      -8.128188     11.212627     -1.161373
  H      -6.421830     11.202257      2.120969
  H      -5.231743     10.407096      4.160899
  H      -4.648981      3.596437      3.156846
  H      -6.312818      7.185090      0.554172
  H     -13.641830     -1.960345      2.340977
  H     -12.445839     -1.327659      1.171247
  H     -13.520875     -0.200196      2.008442
  H     -11.642907      0.975933      1.360661
  H      -9.945293      2.803586      1.396875
  H      -6.653046      2.404477      7.122550
  H     -10.066406     -0.509302      5.097107
  N      -1.938169      1.343887      2.958445
  H      -1.916693      0.345936      2.726903
  H      -0.973233      1.620829      3.156830
  H      -2.222656      1.842482      2.097390
90
Coordinates from ORCA-job orca E -6670.647081765465
  N      -2.852486      0.004993      5.496966
  Mo     -3.454907      1.778825      4.659229
  N      -4.816206      2.329985      6.126734
  C      -4.256159      3.153357      7.200352
  C      -2.878754      2.627836      7.558722
  N      -2.057646      2.317083      6.328412
  C      -1.155414      1.155285      6.624810
  C      -1.968574     -0.135385      6.622508
  C      -1.221930      3.483716      5.898395
  C      -2.062297      4.513690      5.161346
  N      -2.996742      3.754449      4.349361
  H      -1.298625     -1.005629      6.525585
  H      -2.540071     -0.260191      7.557319
  H      -0.412280      1.114385      5.818316
  H      -0.628049      1.314766      7.579913
  H      -2.608155      5.190096      5.839891
  H      -1.416985      5.152104      4.537405
  H      -0.703155      3.918512      6.769284
  H      -0.461890      3.083065      5.213505
  H      -4.890805      3.133248      8.102957
  H      -4.205437      4.204063      6.869225
  H      -3.000553      1.685997      8.108490
  H      -2.322856      3.328447      8.202177
  C      -4.745887      3.799420     -1.009908
  C      -4.430504      2.848793      0.108323
  O      -3.299449      2.864608      0.616996
  C      -5.442972      1.860137      0.566929
  C      -6.653565      1.615429     -0.104222
  C      -7.505451      0.622459      0.353542
  C      -7.159399     -0.126402      1.480890
  F      -8.035370     -1.073135      1.887337
  C      -5.966017      0.104138      2.198867
  C      -5.509453     -0.714672      3.369193
  O      -5.949129     -1.843961      3.613483
  N      -4.485325     -0.123213      4.080661
  C      -3.777316     -0.802081      5.000719
  C      -5.144531      1.106410      1.703139
  C      -7.543196     11.151276     -0.187347
  C      -7.096564      9.709217     -0.065354
  O      -7.300582      8.910625     -0.975767
  C      -6.405182      9.283468      1.190041
  C      -6.115259     10.180039      2.233930
  C      -5.467074      9.732689      3.379651
  C      -5.101081      8.390966      3.482488
  F      -4.499083      8.019671      4.632599
  C      -5.369332      7.456483      2.466270
  C      -5.038504      5.988020      2.500992
  O      -5.645162      5.222454      1.740229
  N      -4.054759      5.625885      3.397204
  C      -3.918522      4.323968      3.584357
  C      -6.034680      7.941651      1.333894
  C     -12.947871     -1.185863      2.153585
  C     -11.929409     -1.069249      3.265244
  O     -11.901362     -1.891605      4.167895
  C     -10.965832      0.077904      3.224106
  C     -10.939325      1.019052      2.179048
  C     -10.001101      2.045385      2.179417
  C      -9.073159      2.117621      3.218163
  F      -8.193112      3.145044      3.185305
  C      -9.056433      1.195531      4.280766
  C      -8.103900      1.243921      5.442229
  O      -8.494983      0.852295      6.553205
  N      -6.828696      1.656546      5.146970
  C      -6.136566      2.126853      6.164217
  C     -10.028930      0.190993      4.264634
  H      -5.523462      4.488614     -0.668977
  H      -3.856241      4.391214     -1.282030
  H      -5.115533      3.250981     -1.888545
  H      -6.938164      2.192169     -0.985325
  H      -8.459181      0.416240     -0.142765
  H      -3.942964     -1.849447      5.291491
  H      -4.194636      1.293443      2.209902
  H      -8.236898     11.416915      0.624918
  H      -6.683626     11.834990     -0.114258
  H      -8.040269     11.291461     -1.153443
  H      -6.397304     11.231489      2.161036
  H      -5.241529     10.404260      4.209426
  H      -4.631843      3.607056      3.119274
  H      -6.271181      7.232180      0.539770
  H     -13.623131     -2.014389      2.382977
  H     -12.442076     -1.379009      1.193798
  H     -13.533213     -0.254725      2.036942
  H     -11.644173      0.940559      1.365046
  H      -9.961333      2.781505      1.386426
  H      -6.658152      2.401344      7.099168
  H     -10.058105     -0.506328      5.080227
  N      -1.922303      1.339954      2.960230
  H      -1.909217      0.342545      2.727016
  H      -0.957171      1.608275      3.160987
  H      -2.201133      1.840318      2.099758
90
Coordinates from ORCA-job orca E -6670.648566117610
  N      -2.839728      0.003042      5.482012
  Mo     -3.454884      1.777335      4.652692
  N      -4.814455      2.318803      6.124349
  C      -4.254541      3.140203      7.198844
  C      -2.873840      2.620094      7.551262
  N      -2.054929      2.318333      6.318267
  C      -1.146282      1.161283      6.607958
  C      -1.952118     -0.134025      6.605549
  C      -1.227595      3.490900      5.887344
  C      -2.076546      4.517520      5.156935
  N      -3.007543      3.756117      4.342979
  H      -1.275959     -0.998838      6.504554
  H      -2.520352     -0.265997      7.541752
  H      -0.405967      1.127436      5.798231
  H      -0.615992      1.319777      7.561208
  H      -2.624576      5.186506      5.839264
  H      -1.437109      5.163717      4.534609
  H      -0.707556      3.926262      6.756903
  H      -0.468610      3.097002      5.198174
  H      -4.886508      3.113342      8.102916
  H      -4.209622      4.192069      6.871337
  H      -2.989727      1.675566      8.098186
  H      -2.319389      3.320983      8.195543
  C      -4.760215      3.831248     -0.956847
  C      -4.397997      2.848375      0.123509
  O      -3.270425      2.858270      0.631182
  C      -5.417081      1.856217      0.572696
  C      -6.628209      1.618778     -0.098308
  C      -7.486721      0.622418      0.353653
  C      -7.148641     -0.134083      1.476807
  F      -8.013981     -1.087761      1.866760
  C      -5.962654      0.091934      2.199124
  C      -5.510081     -0.730297      3.366884
  O      -5.941318     -1.862235      3.607317
  N      -4.483679     -0.134930      4.075657
  C      -3.765924     -0.807218      4.992636
  C      -5.130411      1.093896      1.705974
  C      -7.487811     11.154758     -0.237116
  C      -7.047873      9.712611     -0.101742
  O      -7.227460      8.914202     -1.017744
  C      -6.394023      9.286135      1.172778
  C      -6.135333     10.181796      2.226361
  C      -5.520888      9.733571      3.389694
  C      -5.156555      8.392069      3.500471
  F      -4.589102      8.019522      4.667305
  C      -5.394306      7.458840      2.475029
  C      -5.062418      5.990793      2.514228
  O      -5.648885      5.225249      1.727964
  N      -4.078225      5.631132      3.412311
  C      -3.932787      4.328423      3.583533
  C      -6.026804      7.944353      1.325048
  C     -12.967933     -1.166155      2.156322
  C     -11.949370     -1.062989      3.273056
  O     -11.925455     -1.898427      4.171180
  C     -10.975263      0.069968      3.243275
  C     -10.951376      1.017567      2.205582
  C     -10.010032      2.039795      2.209670
  C      -9.078333      2.103039      3.243778
  F      -8.194565      3.123318      3.214491
  C      -9.062294      1.179608      4.297650
  C      -8.103927      1.216838      5.455638
  O      -8.490080      0.817598      6.564591
  N      -6.830037      1.641202      5.152027
  C      -6.133929      2.109861      6.167086
  C     -10.037104      0.178127      4.277831
  H      -5.545713      4.498327     -0.572307
  H      -3.879585      4.429031     -1.217126
  H      -5.146657      3.324841     -1.853235
  H      -6.904045      2.201356     -0.978142
  H      -8.430342      0.417571     -0.149226
  H      -3.929929     -1.852932      5.287818
  H      -4.182713      1.274830      2.213925
  H      -8.206313     11.419336      0.552892
  H      -6.630056     11.838365     -0.136748
  H      -7.954050     11.295852     -1.218060
  H      -6.415620     11.232936      2.147296
  H      -5.320670     10.404303      4.226979
  H      -4.640376      3.614689      3.107536
  H      -6.238308      7.235556      0.523554
  H     -13.647858     -1.996514      2.374164
  H     -12.464800     -1.352433      1.194552
  H     -13.542695     -0.233883      2.047443
  H     -11.670453      0.961226      1.387691
  H      -9.975680      2.789507      1.419166
  H      -6.652083      2.377571      7.106328
  H     -10.057054     -0.541372      5.093645
  N      -1.928611      1.348216      2.947197
  H      -1.917050      0.352579      2.708114
  H      -0.961917      1.614795      3.144838
  H      -2.210930      1.854484      2.091362
90
Coordinates from ORCA-job orca E -6670.648420482721
  N      -2.826281      0.006265      5.494673
  Mo     -3.467286      1.767920      4.655187
  N      -4.820729      2.308483      6.130106
  C      -4.260113      3.142359      7.196835
  C      -2.869804      2.638645      7.543360
  N      -2.057813      2.336098      6.305959
  C      -1.132686      1.191214      6.597144
  C      -1.925177     -0.114028      6.612330
  C      -1.247176      3.514549      5.857299
  C      -2.114692      4.525647      5.125510
  N      -3.040775      3.747998      4.318544
  H      -1.240917     -0.972969      6.512859
  H      -2.483590     -0.244468      7.555427
  H      -0.400214      1.159599      5.779884
  H      -0.594222      1.362169      7.544278
  H      -2.666417      5.191884      5.806462
  H      -1.486991      5.177568      4.496336
  H      -0.722994      3.963711      6.718294
  H      -0.491057      3.123908      5.164090
  H      -4.885983      3.114407      8.104720
  H      -4.228513      4.192966      6.861751
  H      -2.973274      1.696408      8.098953
  H      -2.316905      3.349783      8.178783
  C      -4.811483      3.803485     -0.954902
  C      -4.423920      2.823959      0.120798
  O      -3.290353      2.832064      0.612546
  C      -5.443476      1.841204      0.593742
  C      -6.671092      1.605466     -0.054355
  C      -7.529387      0.616268      0.416266
  C      -7.176705     -0.133895      1.537311
  F      -8.026144     -1.086929      1.935647
  C      -5.988057      0.095049      2.245800
  C      -5.528047     -0.725683      3.411502
  O      -5.963119     -1.853424      3.661158
  N      -4.489232     -0.135310      4.112307
  C      -3.762541     -0.806034      5.026681
  C      -5.152183      1.089192      1.733456
  C      -7.410225     11.216761     -0.228121
  C      -7.033497      9.757470     -0.083541
  O      -7.266520      8.956144     -0.986943
  C      -6.369355      9.319830      1.183253
  C      -6.055110     10.213745      2.220149
  C      -5.435793      9.754850      3.377877
  C      -5.118343      8.404507      3.497919
  F      -4.543211      8.021184      4.658348
  C      -5.408344      7.473129      2.487779
  C      -5.116838      5.999618      2.536510
  O      -5.749312      5.246480      1.787109
  N      -4.122428      5.622629      3.412584
  C      -3.973109      4.316470      3.564193
  C      -6.049173      7.968646      1.345230
  C     -12.919721     -1.213820      2.091159
  C     -11.914302     -1.108276      3.221818
  O     -11.887750     -1.955101      4.114412
  C     -10.948340      0.027000      3.213406
  C     -10.933648      0.988574      2.185827
  C     -10.009635      2.030625      2.204373
  C      -9.084846      2.095700      3.242700
  F      -8.214112      3.126362      3.228867
  C      -9.057543      1.155091      4.288056
  C      -8.099946      1.182114      5.454948
  O      -8.480311      0.766260      6.562323
  N      -6.832193      1.611058      5.165379
  C      -6.138473      2.086630      6.179764
  C     -10.021284      0.143551      4.250429
  H      -5.591756      4.471494     -0.556125
  H      -3.935594      4.396581     -1.231115
  H      -5.216801      3.299056     -1.844715
  H      -6.957763      2.183020     -0.932220
  H      -8.484465      0.411557     -0.071219
  H      -3.922546     -1.846282      5.330588
  H      -4.199996      1.269808      2.228090
  H      -8.103018     11.525673      0.571379
  H      -6.519381     11.856828     -0.150026
  H      -7.888604     11.368785     -1.202223
  H      -6.297095     11.271568      2.133012
  H      -5.195546     10.424222      4.202474
  H      -4.676691      3.604947      3.083231
  H      -6.305240      7.260540      0.556855
  H     -13.590762     -2.057093      2.290480
  H     -12.406844     -1.382848      1.131966
  H     -13.501364     -0.288844      1.987269
  H     -11.646905      0.930086      1.364458
  H      -9.983366      2.793395      1.420745
  H      -6.657891      2.355832      7.118604
  H     -10.030861     -0.593625      5.059578
  N      -1.954459      1.339974      2.937032
  H      -1.939065      0.340818      2.705529
  H      -0.985266      1.615770      3.121301
  H      -2.252853      1.839061      2.080375
90
Coordinates from ORCA-job orca E -6670.649117021399
  N      -2.808459      0.011373      5.467862
  Mo     -3.460568      1.775767      4.640273
  N      -4.824062      2.299305      6.112488
  C      -4.274822      3.131253      7.186281
  C      -2.883607      2.635062      7.536472
  N      -2.064747      2.345082      6.301431
  C      -1.133035      1.205409      6.587390
  C      -1.914200     -0.105741      6.590653
  C      -1.263166      3.531730      5.860996
  C      -2.137073      4.539528      5.134403
  N      -3.049155      3.761634      4.311642
  H      -1.221249     -0.957480      6.491135
  H      -2.477357     -0.246105      7.529242
  H      -0.397851      1.185088      5.772358
  H      -0.599273      1.373543      7.537084
  H      -2.699246      5.193319      5.818814
  H      -1.512651      5.204413      4.515975
  H      -0.744618      3.979909      6.725192
  H      -0.503063      3.150502      5.166460
  H      -4.904898      3.093197      8.090955
  H      -4.249172      4.183465      6.857468
  H      -2.982807      1.689568      8.086298
  H      -2.338408      3.346567      8.177630
  C      -4.835429      3.836029     -0.933103
  C      -4.441451      2.847955      0.130051
  O      -3.307544      2.863806      0.622027
  C      -5.444782      1.843892      0.586381
  C      -6.663650      1.595656     -0.070993
  C      -7.509256      0.589093      0.386396
  C      -7.151914     -0.165019      1.503502
  F      -7.996982     -1.130355      1.894652
  C      -5.969095      0.075228      2.219562
  C      -5.507101     -0.742619      3.385841
  O      -5.925912     -1.875630      3.631376
  N      -4.475190     -0.140276      4.087474
  C      -3.743382     -0.804099      5.001854
  C      -5.146553      1.085343      1.719768
  C      -7.276938     11.261063     -0.284886
  C      -6.908087      9.800651     -0.132355
  O      -7.090247      9.008121     -1.053706
  C      -6.316290      9.350690      1.164648
  C      -6.065864     10.235058      2.228548
  C      -5.512137      9.765302      3.414069
  C      -5.195925      8.413835      3.534930
  F      -4.689647      8.017613      4.722428
  C      -5.423948      7.492350      2.498511
  C      -5.127726      6.018877      2.544770
  O      -5.737339      5.265983      1.767607
  N      -4.142151      5.644164      3.433552
  C      -3.978920      4.336427      3.557844
  C      -6.000112      7.997875      1.327789
  C     -12.969807     -1.239403      2.156063
  C     -11.949133     -1.138733      3.271289
  O     -11.912695     -1.987380      4.160207
  C     -10.978661     -0.009479      3.254067
  C     -10.975897      0.957964      2.231885
  C     -10.043955      1.989098      2.244427
  C      -9.102018      2.042728      3.270607
  F      -8.230265      3.075112      3.249220
  C      -9.064754      1.098873      4.308623
  C      -8.098906      1.131787      5.457768
  O      -8.470976      0.708401      6.563352
  N      -6.834404      1.582193      5.153440
  C      -6.139582      2.062507      6.163893
  C     -10.031483      0.090718      4.280308
  H      -5.620275      4.493201     -0.528136
  H      -3.965148      4.443305     -1.202908
  H      -5.234288      3.335383     -1.827485
  H      -6.955436      2.177459     -0.944600
  H      -8.461077      0.375010     -0.106115
  H      -3.904071     -1.843916      5.310759
  H      -4.200268      1.276566      2.221310
  H      -8.015768     11.558740      0.475105
  H      -6.393992     11.903952     -0.147610
  H      -7.696201     11.422262     -1.284220
  H      -6.307368     11.293817      2.140689
  H      -5.323638     10.426890      4.259857
  H      -4.667993      3.631156      3.049462
  H      -6.205252      7.297304      0.517354
  H     -13.638670     -2.082887      2.362344
  H     -12.467846     -1.403676      1.189655
  H     -13.555112     -0.313457      2.064371
  H     -11.702996      0.909378      1.420508
  H     -10.025377      2.753366      1.466712
  H      -6.657447      2.319820      7.106706
  H     -10.032485     -0.650092      5.084605
  N      -1.943150      1.364497      2.923191
  H      -1.927388      0.367556      2.683421
  H      -0.974461      1.639360      3.109823
  H      -2.241546      1.870305      2.070883
90
Coordinates from ORCA-job orca E -6670.648998705593
  N      -2.782580      0.007948      5.454717
  Mo     -3.449973      1.774078      4.634825
  N      -4.811769      2.291174      6.111172
  C      -4.265681      3.120977      7.187287
  C      -2.872329      2.630692      7.532196
  N      -2.056219      2.350133      6.293803
  C      -1.116695      1.215371      6.573215
  C      -1.888856     -0.100753      6.578012
  C      -1.265859      3.543174      5.850244
  C      -2.150463      4.545813      5.130786
  N      -3.053806      3.765454      4.299317
  H      -1.189479     -0.947201      6.479113
  H      -2.450754     -0.244532      7.516627
  H      -0.385447      1.201642      5.754566
  H      -0.579116      1.384968      7.521357
  H      -2.718455      5.189529      5.820685
  H      -1.533720      5.222056      4.517166
  H      -0.745180      3.993646      6.711986
  H      -0.507670      3.167252      5.149919
  H      -4.894499      3.076592      8.092781
  H      -4.244547      4.173662      6.862563
  H      -2.964200      1.683307      8.078661
  H      -2.328928      3.342778      8.173563
  C      -4.916565      3.830930     -0.892177
  C      -4.503431      2.835374      0.156879
  O      -3.364776      2.861054      0.637454
  C      -5.496619      1.815301      0.617773
  C      -6.712835      1.556254     -0.033301
  C      -7.536293      0.534652      0.421008
  C      -7.163230     -0.221837      1.532536
  F      -8.000892     -1.196938      1.930610
  C      -5.969201      0.026896      2.236186
  C      -5.485499     -0.784024      3.399270
  O      -5.900989     -1.918200      3.657603
  N      -4.456912     -0.163885      4.087237
  C      -3.719630     -0.812943      5.002585
  C      -5.169519      1.050723      1.737049
  C      -7.194324     11.287384     -0.315387
  C      -6.820164      9.828484     -0.162442
  O      -6.955323      9.045924     -1.099689
  C      -6.290621      9.365322      1.155692
  C      -6.102474     10.238998      2.243147
  C      -5.606717      9.757166      3.449049
  C      -5.286086      8.404519      3.566479
  F      -4.842941      7.992696      4.773588
  C      -5.452450      7.494171      2.507109
  C      -5.148563      6.020412      2.549757
  O      -5.737015      5.265730      1.746966
  N      -4.165986      5.652565      3.448016
  C      -3.984711      4.344433      3.548416
  C      -5.971695      8.010803      1.315654
  C     -12.947038     -1.227142      2.132671
  C     -11.925686     -1.137229      3.251416
  O     -11.897659     -1.982597      4.136841
  C     -10.966704      0.019331      3.235966
  C     -10.955087      0.986119      2.219534
  C     -10.022846      2.018773      2.238587
  C      -9.084831      2.068701      3.267825
  F      -8.203267      3.086136      3.256022
  C      -9.055746      1.126324      4.299910
  C      -8.082850      1.137714      5.456759
  O      -8.447520      0.712603      6.562334
  N      -6.820492      1.580623      5.151264
  C      -6.125608      2.051808      6.164108
  C     -10.023697      0.117085      4.265397
  H      -5.698838      4.479479     -0.471678
  H      -4.054834      4.448748     -1.167807
  H      -5.323029      3.335481     -1.785047
  H      -7.015178      2.139991     -0.903635
  H      -8.476075      0.309458     -0.070620
  H      -3.883806     -1.850162      5.327575
  H      -4.212417      1.249554      2.225382
  H      -7.971715     11.566780      0.411015
  H      -6.326769     11.938963     -0.127206
  H      -7.563728     11.456968     -1.332031
  H      -6.348759     11.298899      2.157687
  H      -5.469415     10.409859      4.313535
  H      -4.661529      3.644407      3.018171
  H      -6.129696      7.319397      0.486574
  H     -13.615569     -2.066759      2.335764
  H     -12.447682     -1.389198      1.165585
  H     -13.532155     -0.298655      2.043824
  H     -11.678070      0.938374      1.406141
  H     -10.001866      2.790275      1.463044
  H      -6.641541      2.304486      7.108645
  H     -10.030691     -0.621396      5.064000
  N      -1.942582      1.370630      2.907540
  H      -1.934370      0.377465      2.659462
  H      -0.973146      1.637849      3.088995
  H      -2.242667      1.884217      2.062703
90
Coordinates from ORCA-job orca E -6670.649546098036
  N      -2.772995      0.021360      5.441586
  Mo     -3.454129      1.783181      4.625561
  N      -4.833206      2.282257      6.092511
  C      -4.302475      3.116176      7.173957
  C      -2.906296      2.639083      7.527495
  N      -2.079319      2.367790      6.295286
  C      -1.130342      1.242149      6.576790
  C      -1.887780     -0.081408      6.571482
  C      -1.299406      3.568276      5.859137
  C      -2.191074      4.562998      5.139338
  N      -3.075776      3.777488      4.292502
  H      -1.178457     -0.919948      6.475839
  H      -2.455771     -0.233231      7.504552
  H      -0.393803      1.237427      5.763027
  H      -0.601231      1.413241      7.528037
  H      -2.773559      5.194727      5.828183
  H      -1.577845      5.251366      4.536485
  H      -0.787603      4.022213      6.723635
  H      -0.534251      3.202102      5.161020
  H      -4.937262      3.063132      8.074550
  H      -4.290915      4.169333      6.851229
  H      -2.993267      1.690798      8.072565
  H      -2.374969      3.355871      8.173480
  C      -4.922128      3.837383     -0.934982
  C      -4.499667      2.847982      0.115621
  O      -3.361499      2.882996      0.595507
  C      -5.482393      1.820928      0.580205
  C      -6.696847      1.547324     -0.070641
  C      -7.514789      0.519624      0.388798
  C      -7.136736     -0.228309      1.504284
  F      -7.959338     -1.212591      1.900041
  C      -5.948390      0.035787      2.210351
  C      -5.460557     -0.771099      3.374755
  O      -5.870196     -1.906911      3.632569
  N      -4.441516     -0.148680      4.069094
  C      -3.708856     -0.799139      4.989737
  C      -5.153598      1.065366      1.706775
  C      -7.070367     11.359153     -0.326253
  C      -6.740119      9.889911     -0.167176
  O      -6.893762      9.107994     -1.102248
  C      -6.227633      9.416841      1.154395
  C      -6.022599     10.286582      2.240025
  C      -5.546080      9.795055      3.450300
  C      -5.259716      8.436442      3.572931
  F      -4.833490      8.014049      4.782843
  C      -5.441515      7.530250      2.514803
  C      -5.164383      6.052606      2.561769
  O      -5.786021      5.307750      1.785470
  N      -4.188169      5.670170      3.460369
  C      -4.001297      4.359442      3.536648
  C      -5.943605      8.056126      1.319717
  C     -12.994858     -1.302137      2.200880
  C     -11.962651     -1.207274      3.306315
  O     -11.915821     -2.059089      4.189016
  C     -11.000479     -0.064794      3.284006
  C     -11.013203      0.911577      2.272726
  C     -10.085198      1.946528      2.282178
  C      -9.131752      1.995909      3.294035
  F      -8.260119      3.024160      3.270751
  C      -9.076859      1.040748      4.321358
  C      -8.093879      1.061605      5.461546
  O      -8.446785      0.624950      6.566926
  N      -6.838238      1.534495      5.141457
  C      -6.144148      2.021855      6.147002
  C     -10.039294      0.027079      4.297393
  H      -5.708544      4.482969     -0.514775
  H      -4.065292      4.459457     -1.212773
  H      -5.326432      3.336812     -1.826110
  H      -7.003047      2.124612     -0.943941
  H      -8.453573      0.282211     -0.102868
  H      -3.875972     -1.835006      5.315734
  H      -4.200155      1.275929      2.195995
  H      -7.844009     11.664777      0.394458
  H      -6.184960     11.982934     -0.133628
  H      -7.428949     11.537282     -1.345308
  H      -6.241137     11.350996      2.149848
  H      -5.397683     10.444994      4.313196
  H      -4.663815      3.666320      2.983618
  H      -6.115207      7.367478      0.491075
  H     -13.656230     -2.151226      2.406384
  H     -12.502017     -1.454160      1.227786
  H     -13.587243     -0.378683      2.123882
  H     -11.754651      0.873875      1.469573
  H     -10.079651      2.718775      1.513578
  H      -6.660972      2.265379      7.093870
  H     -10.028130     -0.719090      5.091797
  N      -1.935407      1.398696      2.904070
  H      -1.920793      0.407525      2.649182
  H      -0.968549      1.669357      3.091688
  H      -2.234145      1.915847      2.061993
90
Coordinates from ORCA-job orca E -6670.649196598516
  N      -2.753789      0.015362      5.444353
  Mo     -3.456201      1.770562      4.626027
  N      -4.825986      2.267887      6.099527
  C      -4.291058      3.111547      7.173967
  C      -2.886369      2.646907      7.518061
  N      -2.068987      2.375161      6.279406
  C      -1.106527      1.257308      6.556755
  C      -1.852314     -0.075774      6.565612
  C      -1.303056      3.580396      5.827751
  C      -2.210931      4.564607      5.110923
  N      -3.094387      3.767742      4.269993
  H      -1.135864     -0.908269      6.465654
  H      -2.407518     -0.230214      7.506852
  H      -0.379723      1.255569      5.733970
  H      -0.565981      1.436822      7.501705
  H      -2.793579      5.192401      5.802429
  H      -1.609800      5.259383      4.502183
  H      -0.783938      4.044260      6.684235
  H      -0.543909      3.215972      5.123133
  H      -4.917493      3.057576      8.080107
  H      -4.290880      4.164236      6.846004
  H      -2.960889      1.699996      8.070599
  H      -2.354612      3.372295      8.155400
  C      -4.948165      3.841759     -0.874926
  C      -4.531505      2.848786      0.171482
  O      -3.386627      2.868103      0.642952
  C      -5.511587      1.831130      0.633066
  C      -6.732717      1.566943     -0.014007
  C      -7.559607      0.545682      0.448130
  C      -7.179520     -0.206199      1.559161
  F      -8.008386     -1.183595      1.956074
  C      -5.995359      0.050493      2.266292
  C      -5.515296     -0.761803      3.428728
  O      -5.907988     -1.895652      3.680968
  N      -4.462456     -0.149776      4.110753
  C      -3.708528     -0.802212      5.017200
  C      -5.193174      1.074623      1.762853
  C      -7.020450     11.370084     -0.347798
  C      -6.713964      9.896417     -0.182801
  O      -6.868059      9.115235     -1.118988
  C      -6.216440      9.419634      1.143966
  C      -6.009799     10.287652      2.230709
  C      -5.548831      9.792037      3.445987
  C      -5.278075      8.431057      3.571896
  F      -4.864259      8.004668      4.785197
  C      -5.460344      7.526606      2.512268
  C      -5.196233      6.046694      2.562105
  O      -5.823565      5.305658      1.785485
  N      -4.214226      5.660083      3.452052
  C      -4.024606      4.348137      3.517643
  C      -5.948646      8.056598      1.312809
  C     -12.955549     -1.306332      2.132155
  C     -11.931764     -1.217775      3.245175
  O     -11.880378     -2.087349      4.115726
  C     -10.970706     -0.083755      3.249368
  C     -10.995040      0.915368      2.256504
  C     -10.075056      1.955210      2.287667
  C      -9.116771      1.985177      3.304298
  F      -8.265185      3.040070      3.299071
  C      -9.053937      1.011320      4.312609
  C      -8.079345      1.035100      5.449166
  O      -8.431876      0.572311      6.546272
  N      -6.826291      1.505184      5.153667
  C      -6.134970      1.996135      6.161192
  C     -10.008759     -0.006064      4.267201
  H      -5.728313      4.496407     -0.452795
  H      -4.084996      4.454206     -1.157616
  H      -5.361325      3.343216     -1.764308
  H      -7.044210      2.148241     -0.881090
  H      -8.518194      0.317699     -0.034480
  H      -3.874912     -1.832906      5.351331
  H      -4.248927      1.280483      2.257335
  H      -7.797631     11.688629      0.364588
  H      -6.126818     11.980582     -0.145790
  H      -7.365875     11.551920     -1.371778
  H      -6.214948     11.353847      2.137349
  H      -5.400091     10.441037      4.309593
  H      -4.685252      3.657214      2.961715
  H      -6.122519      7.370163      0.483108
  H     -13.609436     -2.168833      2.317334
  H     -12.452994     -1.432962      1.158570
  H     -13.557967     -0.388634      2.069347
  H     -11.731579      0.881455      1.455310
  H     -10.076485      2.741012      1.536112
  H      -6.652308      2.241959      7.106951
  H      -9.989849     -0.771754      5.047791
  N      -1.956533      1.387058      2.888187
  H      -1.934568      0.390966      2.642808
  H      -0.987891      1.672456      3.060848
  H      -2.275390      1.894450      2.043477
90
Coordinates from ORCA-job orca E -6670.649858492098
  N      -2.715791      0.027483      5.418624
  Mo     -3.442879      1.788041      4.632703
  N      -4.822957      2.242847      6.112300
  C      -4.302259      3.073203      7.202526
  C      -2.893585      2.621582      7.541150
  N      -2.070252      2.383064      6.299862
  C      -1.093971      1.274535      6.558977
  C      -1.820064     -0.067298      6.542386
  C      -1.320716      3.605274      5.869766
  C      -2.239946      4.588580      5.168874
  N      -3.108443      3.795943      4.309183
  H      -1.091078     -0.887011      6.432159
  H      -2.377364     -0.244512      7.477965
  H      -0.365453      1.297165      5.738210
  H      -0.559047      1.444894      7.508128
  H      -2.833914      5.194424      5.870869
  H      -1.647072      5.303034      4.575493
  H      -0.809742      4.061070      6.734472
  H      -0.555595      3.262489      5.159880
  H      -4.930022      2.994974      8.106260
  H      -4.314734      4.130716      6.893870
  H      -2.955727      1.665203      8.076203
  H      -2.373424      3.342777      8.191766
  C      -5.022436      3.778962     -0.969967
  C      -4.586902      2.825142      0.105364
  O      -3.437707      2.869427      0.561195
  C      -5.555103      1.808045      0.607704
  C      -6.784950      1.526380     -0.010238
  C      -7.584475      0.494821      0.472315
  C      -7.169892     -0.250449      1.575763
  F      -7.975432     -1.243547      1.991301
  C      -5.968892      0.024185      2.253114
  C      -5.447083     -0.785883      3.399299
  O      -5.825310     -1.929949      3.652697
  N      -4.414794     -0.153278      4.078835
  C      -3.653488     -0.800367      4.978476
  C      -5.195988      1.059875      1.730067
  C      -6.948072     11.377166     -0.381087
  C      -6.653253      9.903739     -0.195616
  O      -6.791752      9.115367     -1.127178
  C      -6.190390      9.435448      1.145410
  C      -6.003859     10.312687      2.229056
  C      -5.573754      9.825155      3.458044
  C      -5.315110      8.462757      3.601138
  F      -4.930935      8.044027      4.826217
  C      -5.480343      7.549130      2.546160
  C      -5.226976      6.067401      2.614575
  O      -5.849864      5.321009      1.835023
  N      -4.246676      5.686911      3.509936
  C      -4.039544      4.377165      3.559556
  C      -5.935722      8.071355      1.331467
  C     -12.989230     -1.261080      2.141765
  C     -11.958790     -1.197377      3.250346
  O     -11.932582     -2.057039      4.126589
  C     -10.978517     -0.071208      3.246393
  C     -10.980214      0.924205      2.253086
  C     -10.039443      1.945661      2.282884
  C      -9.084627      1.962270      3.299331
  F      -8.203420      2.986487      3.293355
  C      -9.045667      0.993366      4.310927
  C      -8.071526      0.998264      5.454165
  O      -8.428468      0.534726      6.547369
  N      -6.815905      1.476463      5.154348
  C      -6.128808      1.957799      6.167691
  C     -10.017918     -0.009170      4.265916
  H      -5.802860      4.439610     -0.562298
  H      -4.168508      4.390019     -1.283634
  H      -5.440232      3.246611     -1.836556
  H      -7.118732      2.098379     -0.876003
  H      -8.540583      0.249841      0.007618
  H      -3.810394     -1.837507      5.304646
  H      -4.233512      1.274847      2.192376
  H      -7.738147     11.704990      0.310971
  H      -6.056869     11.986987     -0.166209
  H      -7.269395     11.550615     -1.413475
  H      -6.199721     11.380162      2.122148
  H      -5.440204     10.481719      4.319073
  H      -4.684015      3.688297      2.982436
  H      -6.092032      7.378986      0.503097
  H     -13.659885     -2.106440      2.329507
  H     -12.494344     -1.398105      1.167222
  H     -13.573401     -0.330142      2.081540
  H     -11.719238      0.906857      1.451930
  H     -10.025780      2.733461      1.531115
  H      -6.648517      2.184435      7.116922
  H     -10.019238     -0.767520      5.048788
  N      -1.939517      1.452938      2.890656
  H      -1.901743      0.462995      2.630321
  H      -0.977219      1.750236      3.066838
  H      -2.264909      1.966287      2.054423
90
Coordinates from ORCA-job orca E -6670.648787132567
  N      -2.695358      0.021233      5.417121
  Mo     -3.430812      1.773324      4.623537
  N      -4.829277      2.220707      6.091597
  C      -4.322065      3.056055      7.183527
  C      -2.913972      2.615286      7.534295
  N      -2.078717      2.380940      6.300661
  C      -1.096800      1.281510      6.571255
  C      -1.812278     -0.063981      6.550125
  C      -1.334408      3.607014      5.876260
  C      -2.253976      4.581866      5.165879
  N      -3.107635      3.781487      4.299428
  H      -1.076421     -0.878357      6.449067
  H      -2.378178     -0.242198      7.479912
  H      -0.360104      1.306675      5.758039
  H      -0.574218      1.458183      7.524849
  H      -2.860392      5.183015      5.861632
  H      -1.660680      5.299532      4.577407
  H      -0.835659      4.067443      6.744750
  H      -0.559594      3.269171      5.174162
  H      -4.956151      2.975863      8.082759
  H      -4.339317      4.112489      6.873230
  H      -2.973373      1.660335      8.070282
  H      -2.405386      3.341644      8.187801
  C      -5.053119      3.882983     -0.857788
  C      -4.603552      2.937243      0.221951
  O      -3.501709      3.069317      0.763014
  C      -5.531680      1.843879      0.653579
  C      -6.720977      1.512053     -0.016987
  C      -7.475156      0.420580      0.404209
  C      -7.057402     -0.337756      1.497778
  F      -7.808348     -1.393040      1.846495
  C      -5.894929     -0.017652      2.223231
  C      -5.363342     -0.826408      3.364459
  O      -5.728165     -1.986312      3.602468
  N      -4.363518     -0.178648      4.053734
  C      -3.614055     -0.817175      4.966235
  C      -5.164681      1.077921      1.760321
  C      -6.996748     11.378745     -0.363823
  C      -6.683838      9.905841     -0.204735
  O      -6.829893      9.129308     -1.145466
  C      -6.197897      9.422898      1.122650
  C      -6.000551     10.285463      2.213583
  C      -5.547814      9.784316      3.428888
  C      -5.278997      8.422966      3.550973
  F      -4.868091      7.990752      4.762493
  C      -5.455761      7.522921      2.488932
  C      -5.188125      6.043489      2.539168
  O      -5.827750      5.298958      1.783333
  N      -4.229515      5.660157      3.455378
  C      -4.026611      4.350776      3.528289
  C      -5.932853      8.058869      1.287921
  C     -13.092685     -1.187439      2.217280
  C     -12.064848     -1.123655      3.328483
  O     -12.078425     -1.945161      4.239677
  C     -11.035646     -0.039775      3.275432
  C     -10.991867      0.911639      2.241819
  C     -10.010787      1.898273      2.229612
  C      -9.064698      1.925591      3.244673
  F      -8.133144      2.894600      3.198288
  C      -9.066424      0.994070      4.298736
  C      -8.089331      0.990517      5.451996
  O      -8.458802      0.570965      6.558353
  N      -6.822869      1.444302      5.135131
  C      -6.135552      1.936201      6.141920
  C     -10.079535      0.029474      4.291568
  H      -5.916563      4.455956     -0.487738
  H      -4.239444      4.573292     -1.097943
  H      -5.366254      3.345405     -1.764009
  H      -7.055988      2.096096     -0.874594
  H      -8.393005      0.141640     -0.100490
  H      -3.766117     -1.855201      5.294462
  H      -4.228175      1.334626      2.261020
  H      -7.777292     11.691795      0.346421
  H      -6.107967     11.991924     -0.157535
  H      -7.338866     11.563258     -1.386943
  H      -6.203906     11.352005      2.123008
  H      -5.403087     10.429359      4.294393
  H      -4.658116      3.653060      2.946825
  H      -6.097945      7.379343      0.452277
  H     -13.796146     -1.998150      2.430030
  H     -12.601372     -1.378029      1.251916
  H     -13.638629     -0.238369      2.120837
  H     -11.732419      0.897017      1.437577
  H      -9.959557      2.652937      1.442330
  H      -6.658500      2.173268      7.087477
  H     -10.116437     -0.692557      5.106397
  N      -1.913567      1.449450      2.893793
  H      -1.856211      0.460728      2.639126
  H      -0.959660      1.763167      3.076316
  H      -2.237162      1.949782      2.052086
90
Coordinates from ORCA-job orca E -6670.649967506448
  N      -2.687499      0.023813      5.398201
  Mo     -3.449472      1.779052      4.630919
  N      -4.832378      2.198810      6.120059
  C      -4.318575      3.027018      7.215682
  C      -2.901011      2.596677      7.543559
  N      -2.080341      2.383549      6.296240
  C      -1.083920      1.289932      6.543046
  C      -1.787408     -0.063732      6.519477
  C      -1.353501      3.622025      5.872728
  C      -2.292166      4.595142      5.183266
  N      -3.148351      3.794915      4.317167
  H      -1.044869     -0.870098      6.401437
  H      -2.338741     -0.256782      7.455653
  H      -0.359562      1.330403      5.719203
  H      -0.547905      1.462413      7.491395
  H      -2.895469      5.182486      5.892886
  H      -1.714189      5.326346      4.595510
  H      -0.846159      4.079641      6.738852
  H      -0.586106      3.297742      5.156781
  H      -4.939942      2.930391      8.122074
  H      -4.350118      4.087216      6.917639
  H      -2.943492      1.634779      8.070761
  H      -2.390532      3.321597      8.197927
  C      -4.921768      3.802660     -0.931491
  C      -4.495525      2.832699      0.134563
  O      -3.359797      2.882788      0.620595
  C      -5.471217      1.805444      0.605745
  C      -6.690842      1.528103     -0.035179
  C      -7.491574      0.484172      0.417335
  C      -7.090114     -0.277938      1.514188
  F      -7.893630     -1.282694      1.898826
  C      -5.904422     -0.003335      2.217745
  C      -5.396787     -0.814132      3.367951
  O      -5.766626     -1.966508      3.607848
  N      -4.381862     -0.171905      4.060162
  C      -3.614963     -0.814144      4.956914
  C      -5.127319      1.042717      1.721942
  C      -6.957344     11.373509     -0.404509
  C      -6.663050      9.899858     -0.220030
  O      -6.802369      9.112143     -1.152639
  C      -6.204884      9.429863      1.122130
  C      -6.016503     10.305467      2.205521
  C      -5.590006      9.815829      3.435137
  C      -5.337517      8.452896      3.579087
  F      -4.954721      8.032640      4.804133
  C      -5.506273      7.540022      2.525118
  C      -5.259621      6.057035      2.597287
  O      -5.890582      5.311636      1.828198
  N      -4.289456      5.675726      3.502748
  C      -4.077755      4.366738      3.559856
  C      -5.957370      8.064939      1.309402
  C     -13.079048     -1.190576      2.201427
  C     -12.041686     -1.148567      3.305534
  O     -12.027878     -2.007883      4.182288
  C     -11.035470     -0.042662      3.288801
  C     -11.023499      0.951669      2.295075
  C     -10.062417      1.956630      2.314879
  C      -9.100929      1.956029      3.322446
  F      -8.195774      2.955574      3.306694
  C      -9.071861      0.983865      4.334326
  C      -8.082608      0.956963      5.472716
  O      -8.431690      0.489623      6.567059
  N      -6.826289      1.424305      5.167372
  C      -6.135722      1.902462      6.179289
  C     -10.067199      0.002819      4.297922
  H      -5.723511      4.441439     -0.530029
  H      -4.070394      4.429918     -1.214653
  H      -5.313518      3.282728     -1.817699
  H      -7.014418      2.114232     -0.895269
  H      -8.439498      0.246312     -0.062607
  H      -3.758652     -1.854331      5.278900
  H      -4.173355      1.258205      2.203201
  H      -7.746467     11.703694      0.288341
  H      -6.065180     11.981324     -0.191231
  H      -7.280025     11.547295     -1.436361
  H      -6.207063     11.373368      2.097794
  H      -5.453926     10.471442      4.295497
  H      -4.708992      3.672774      2.975150
  H      -6.116059      7.375901      0.479694
  H     -13.760551     -2.026917      2.386049
  H     -12.593066     -1.327007      1.223171
  H     -13.649538     -0.251562      2.151379
  H     -11.769335      0.949275      1.500805
  H     -10.036202      2.744170      1.559746
  H      -6.652345      2.121559      7.132230
  H     -10.079073     -0.754569      5.081751
  N      -1.955539      1.487737      2.875808
  H      -1.891810      0.500492      2.611298
  H      -1.001184      1.811829      3.046496
  H      -2.299474      1.993959      2.043540
90
Coordinates from ORCA-job orca E -6670.648253227719
  N      -2.622028      0.026038      5.427607
  Mo     -3.393051      1.777702      4.659500
  N      -4.788204      2.187259      6.137299
  C      -4.288707      3.013474      7.242210
  C      -2.868643      2.594262      7.576697
  N      -2.038510      2.390580      6.333655
  C      -1.034276      1.304339      6.582826
  C      -1.725462     -0.056030      6.552826
  C      -1.318520      3.634805      5.913887
  C      -2.259005      4.600994      5.217257
  N      -3.102386      3.796026      4.342623
  H      -0.974907     -0.855394      6.436627
  H      -2.279124     -0.256532      7.486117
  H      -0.306691      1.353003      5.762232
  H      -0.503576      1.478901      7.533707
  H      -2.871866      5.183078      5.922347
  H      -1.682304      5.337588      4.635046
  H      -0.819886      4.096573      6.782861
  H      -0.544674      3.315378      5.203071
  H      -4.915087      2.906142      8.143816
  H      -4.327905      4.075289      6.950000
  H      -2.906153      1.630078      8.101085
  H      -2.367842      3.321498      8.236195
  C      -5.344760      3.774381     -0.930676
  C      -4.809552      2.824599      0.100951
  O      -3.624297      2.879714      0.453161
  C      -5.715962      1.793521      0.673877
  C      -6.989473      1.502431      0.154481
  C      -7.738289      0.460056      0.692429
  C      -7.228847     -0.285365      1.754785
  F      -7.992755     -1.284475      2.230480
  C      -5.983115     -0.003602      2.338751
  C      -5.376773     -0.820985      3.438480
  O      -5.729258     -1.966281      3.706367
  N      -4.335362     -0.173491      4.101481
  C      -3.550921     -0.814203      4.988779
  C      -5.262793      1.042409      1.761833
  C      -6.904020     11.311552     -0.465861
  C      -6.606619      9.841855     -0.256562
  O      -6.723424      9.041794     -1.181227
  C      -6.166332      9.392234      1.098499
  C      -6.001669     10.283384      2.174620
  C      -5.592971      9.812123      3.417358
  C      -5.332263      8.452520      3.581441
  F      -4.972201      8.050066      4.819308
  C      -5.475587      7.525553      2.534221
  C      -5.222377      6.044434      2.623696
  O      -5.830787      5.290165      1.839075
  N      -4.247753      5.676635      3.530174
  C      -4.027228      4.369014      3.578457
  C      -5.911488      8.031272      1.305875
  C     -12.904917     -1.127128      1.914460
  C     -11.871915     -1.142725      3.021220
  O     -11.825648     -2.077962      3.817597
  C     -10.907886     -0.012177      3.117444
  C     -10.936556      1.073177      2.221337
  C     -10.014697      2.103019      2.343908
  C      -9.048934      2.038217      3.351582
  F      -8.194623      3.085165      3.437138
  C      -8.985274      0.980368      4.268492
  C      -8.011338      0.909354      5.402253
  O      -8.360963      0.351379      6.452705
  N      -6.760585      1.421603      5.140511
  C      -6.091208      1.882807      6.175033
  C      -9.940855     -0.028935      4.135628
  H      -6.104211      4.418873     -0.461230
  H      -4.529215      4.401577     -1.309723
  H      -5.820571      3.235693     -1.763213
  H      -7.399699      2.076287     -0.676121
  H      -8.731183      0.206152      0.305927
  H      -3.694289     -1.852261      5.315273
  H      -4.273948      1.266411      2.150910
  H      -7.707046     11.645387      0.208219
  H      -6.018370     11.928034     -0.243952
  H      -7.208703     11.470351     -1.506099
  H      -6.199144     11.348804      2.051260
  H      -5.478079     10.479718      4.273159
  H      -4.651065      3.678012      2.983823
  H      -6.053949      7.329051      0.482637
  H     -13.551987     -2.006620      2.018058
  H     -12.410228     -1.150011      0.929470
  H     -13.515896     -0.211960      1.950388
  H     -11.682238      1.117679      1.427985
  H     -10.024700      2.959890      1.675404
  H      -6.623650      2.079025      7.123979
  H      -9.923646     -0.857847      4.846002
  N      -1.884043      1.492880      2.915920
  H      -1.812019      0.503990      2.654626
  H      -0.931705      1.823741      3.093548
  H      -2.226178      1.997708      2.078567
90
Coordinates from ORCA-job orca E -6670.650376008694
  N      -2.623727      0.029423      5.393384
  Mo     -3.413297      1.779246      4.639827
  N      -4.816163      2.162146      6.120632
  C      -4.324815      2.986264      7.230309
  C      -2.902536      2.577778      7.564544
  N      -2.069396      2.392209      6.321622
  C      -1.054400      1.314891      6.564441
  C      -1.731175     -0.051753      6.521458
  C      -1.362481      3.647542      5.914525
  C      -2.312778      4.609117      5.225497
  N      -3.143543      3.802969      4.339735
  H      -0.971745     -0.842002      6.401511
  H      -2.285945     -0.265313      7.451104
  H      -0.325218      1.377208      5.746198
  H      -0.528259      1.487386      7.518098
  H      -2.935193      5.175853      5.935084
  H      -1.743456      5.358667      4.652734
  H      -0.870589      4.106836      6.788526
  H      -0.583765      3.343303      5.202148
  H      -4.951003      2.867455      8.130726
  H      -4.373629      4.049445      6.945319
  H      -2.931479      1.609861      8.081709
  H      -2.410042      3.305129      8.229990
  C      -5.142094      3.824399     -0.917762
  C      -4.648590      2.870178      0.132807
  O      -3.495153      2.951753      0.570702
  C      -5.568976      1.806034      0.628883
  C      -6.800573      1.495260      0.026979
  C      -7.554455      0.425009      0.498522
  C      -7.093649     -0.330358      1.576243
  F      -7.852731     -1.362305      1.979484
  C      -5.894114     -0.026316      2.242056
  C      -5.333190     -0.835464      3.369494
  O      -5.669658     -1.997211      3.605964
  N      -4.319650     -0.179344      4.054285
  C      -3.540476     -0.817259      4.945226
  C      -5.164640      1.046018      1.728213
  C      -6.878086     11.355569     -0.457018
  C      -6.592802      9.882292     -0.255787
  O      -6.709733      9.089251     -1.186905
  C      -6.164957      9.420431      1.099090
  C      -5.999885     10.302573      2.181172
  C      -5.602002      9.820001      3.423213
  C      -5.353815      8.457794      3.580806
  F      -5.001575      8.043949      4.817169
  C      -5.499258      7.539000      2.528391
  C      -5.256632      6.056193      2.613673
  O      -5.877693      5.308561      1.838564
  N      -4.291486      5.679553      3.525954
  C      -4.065941      4.372086      3.571391
  C      -5.922800      8.056447      1.300026
  C     -13.084658     -1.127659      2.141576
  C     -12.043308     -1.117300      3.241733
  O     -12.038288     -1.991103      4.105021
  C     -11.023739     -0.026849      3.244391
  C     -11.005698      0.988561      2.271200
  C     -10.032994      1.980355      2.308641
  C      -9.066656      1.947352      3.312069
  F      -8.152744      2.940641      3.311691
  C      -9.044602      0.954781      4.304258
  C      -8.057337      0.903466      5.439041
  O      -8.408850      0.409834      6.520496
  N      -6.798802      1.378513      5.145703
  C      -6.117512      1.850825      6.166258
  C     -10.050233     -0.014313      4.251185
  H      -5.952451      4.435310     -0.490692
  H      -4.322683      4.480875     -1.228597
  H      -5.543860      3.289733     -1.790883
  H      -7.171900      2.077442     -0.816233
  H      -8.512131      0.160823      0.048896
  H      -3.675449     -1.859186      5.264566
  H      -4.205017      1.288693      2.181445
  H      -7.682478     11.692639      0.214496
  H      -5.989334     11.962506     -0.226585
  H      -7.175595     11.523362     -1.497539
  H      -6.187406     11.369884      2.062889
  H      -5.485758     10.480699      4.282781
  H      -4.677136      3.679395      2.965397
  H      -6.063940      7.362549      0.470617
  H     -13.772248     -1.963686      2.309501
  H     -12.602656     -1.243547      1.158247
  H     -13.649107     -0.183776      2.116586
  H     -11.754827      1.011452      1.479537
  H     -10.001399      2.782125      1.571450
  H      -6.642548      2.054117      7.118151
  H     -10.066910     -0.788549      5.019314
  N      -1.903267      1.527981      2.893366
  H      -1.817172      0.543639      2.623314
  H      -0.956811      1.870584      3.073791
  H      -2.250091      2.033161      2.060835
90
Coordinates from ORCA-job orca E -6670.650435964330
  N      -2.612320      0.026551      5.380853
  Mo     -3.425597      1.771225      4.636723
  N      -4.813517      2.151258      6.131805
  C      -4.315031      2.975978      7.237822
  C      -2.886129      2.577401      7.553476
  N      -2.067476      2.397723      6.300105
  C      -1.040993      1.328835      6.530003
  C      -1.705822     -0.043155      6.497918
  C      -1.376860      3.657836      5.881522
  C      -2.342505      4.608866      5.200502
  N      -3.171109      3.795752      4.318583
  H      -0.940658     -0.826484      6.370523
  H      -2.247044     -0.259375      7.434692
  H      -0.323541      1.395671      5.701826
  H      -0.503439      1.506625      7.475819
  H      -2.965902      5.167878      5.915440
  H      -1.785720      5.365038      4.624547
  H      -0.879539      4.123628      6.748455
  H      -0.603348      3.358200      5.161188
  H      -4.929425      2.850306      8.145502
  H      -4.375241      4.039224      6.956881
  H      -2.901069      1.609726      8.070567
  H      -2.390634      3.308236      8.212464
  C      -5.044722      3.768435     -0.885426
  C      -4.581360      2.799316      0.165308
  O      -3.438412      2.867485      0.631257
  C      -5.535412      1.764625      0.663663
  C      -6.777554      1.487700      0.068001
  C      -7.562062      0.443928      0.550248
  C      -7.119220     -0.321205      1.629202
  F      -7.913483     -1.320842      2.050002
  C      -5.903217     -0.051552      2.281912
  C      -5.350262     -0.859128      3.410956
  O      -5.693328     -2.018075      3.658330
  N      -4.331293     -0.197068      4.075718
  C      -3.537721     -0.824900      4.958537
  C      -5.147288      0.997306      1.761442
  C      -6.911085     11.367836     -0.446973
  C      -6.621951      9.893943     -0.256521
  O      -6.743107      9.106922     -1.191813
  C      -6.194466      9.422425      1.094576
  C      -6.030052     10.296987      2.183063
  C      -5.631055      9.805453      3.420908
  C      -5.382278      8.441880      3.567627
  F      -5.027896      8.017925      4.799826
  C      -5.527949      7.530373      2.509019
  C      -5.281547      6.047025      2.585484
  O      -5.938430      5.295945      1.841983
  N      -4.318549      5.670283      3.500628
  C      -4.092821      4.362341      3.548083
  C      -5.951833      8.056607      1.284900
  C     -13.060707     -1.074055      2.080971
  C     -12.028937     -1.088202      3.189728
  O     -12.027634     -1.982402      4.029980
  C     -11.010655      0.005412      3.223021
  C     -10.987524      1.044787      2.276249
  C     -10.016117      2.035800      2.344585
  C      -9.057059      1.979723      3.352598
  F      -8.144885      2.972350      3.384450
  C      -9.039899      0.962825      4.319258
  C      -8.055447      0.883745      5.455654
  O      -8.409116      0.370455      6.526400
  N      -6.795959      1.366674      5.166102
  C      -6.114009      1.838269      6.185411
  C     -10.042941     -0.007376      4.235542
  H      -5.852510      4.387138     -0.467356
  H      -4.211796      4.415506     -1.179915
  H      -5.440487      3.244816     -1.767547
  H      -7.135329      2.078500     -0.775403
  H      -8.529288      0.210199      0.110057
  H      -3.672947     -1.862962      5.293294
  H      -4.176067      1.213976      2.207342
  H      -7.714715     11.698216      0.228116
  H      -6.023692     11.975977     -0.214542
  H      -7.210626     11.541850     -1.485553
  H      -6.218196     11.365362      2.072931
  H      -5.514533     10.460128      4.285264
  H      -4.698795      3.670382      2.937795
  H      -6.091445      7.370172      0.449543
  H     -13.742632     -1.919385      2.218109
  H     -12.570098     -1.155537      1.098896
  H     -13.633469     -0.134327      2.080295
  H     -11.733524      1.088401      1.480880
  H      -9.980751      2.856453      1.628433
  H      -6.634847      2.036516      7.140664
  H     -10.063733     -0.799568      4.983257
  N      -1.946507      1.522519      2.865041
  H      -1.851631      0.537920      2.602207
  H      -1.002858      1.880374      3.024066
  H      -2.314208      2.013539      2.034886
90
Coordinates from ORCA-job orca E -6670.651009517645
  N      -2.556224      0.029278      5.378441
  Mo     -3.404951      1.765340      4.651983
  N      -4.796156      2.109072      6.152101
  C      -4.308779      2.929913      7.266748
  C      -2.871095      2.555193      7.573465
  N      -2.053345      2.403249      6.315628
  C      -1.005255      1.352116      6.533265
  C      -1.643468     -0.032763      6.491674
  C      -1.387941      3.680310      5.905799
  C      -2.372462      4.617938      5.232537
  N      -3.185206      3.796485      4.342675
  H      -0.863576     -0.799925      6.354556
  H      -2.176348     -0.268000      7.428898
  H      -0.292050      1.439632      5.703202
  H      -0.467396      1.532246      7.478908
  H      -3.007164      5.157484      5.952249
  H      -1.831203      5.390666      4.663585
  H      -0.898304      4.149101      6.775904
  H      -0.609718      3.401381      5.182498
  H      -4.917478      2.782092      8.174949
  H      -4.390450      3.995521      6.999238
  H      -2.865737      1.581921      8.080965
  H      -2.387140      3.288751      8.238313
  C      -5.172462      3.743600     -0.891905
  C      -4.672399      2.805447      0.169879
  O      -3.525287      2.909379      0.619532
  C      -5.589538      1.746613      0.684294
  C      -6.835855      1.441459      0.110397
  C      -7.588003      0.380425      0.605438
  C      -7.107846     -0.374948      1.674908
  F      -7.868327     -1.395315      2.105419
  C      -5.888381     -0.079115      2.307477
  C      -5.301056     -0.882766      3.423240
  O      -5.620631     -2.047703      3.668292
  N      -4.283166     -0.209530      4.084310
  C      -3.474134     -0.832192      4.957648
  C      -5.164768      0.987075      1.774992
  C      -6.897072     11.326090     -0.489823
  C      -6.616630      9.853103     -0.280380
  O      -6.733268      9.056123     -1.208201
  C      -6.199017      9.395562      1.078859
  C      -6.036123     10.281688      2.157891
  C      -5.647688      9.802386      3.404128
  C      -5.407531      8.439497      3.568732
  F      -5.062745      8.028514      4.808178
  C      -5.551510      7.516570      2.519975
  C      -5.317770      6.032337      2.616671
  O      -5.954551      5.280669      1.857608
  N      -4.349398      5.661068      3.527539
  C      -4.109054      4.355290      3.569204
  C      -5.965074      8.030983      1.287005
  C     -13.053885     -0.949492      1.995551
  C     -12.020469     -1.016932      3.101211
  O     -12.028958     -1.941370      3.909120
  C     -10.992396      0.064811      3.176480
  C     -10.961449      1.140246      2.270434
  C      -9.982705      2.121188      2.376470
  C      -9.023637      2.017805      3.381450
  F      -8.104750      3.002890      3.451281
  C      -9.013451      0.963433      4.307625
  C      -8.026913      0.832931      5.438313
  O      -8.380585      0.284923      6.492007
  N      -6.768560      1.322738      5.169476
  C      -6.093662      1.781288      6.199330
  C     -10.025041      0.006243      4.187178
  H      -5.999403      4.340281     -0.478600
  H      -4.362666      4.413054     -1.199786
  H      -5.554862      3.194535     -1.764836
  H      -7.222687      2.024455     -0.725331
  H      -8.559234      0.125218      0.183039
  H      -3.594870     -1.872733      5.288319
  H      -4.192499      1.224671      2.204033
  H      -7.703349     11.669240      0.176219
  H      -6.007681     11.931883     -0.259038
  H      -7.189444     11.489376     -1.532409
  H      -6.217631     11.349482      2.033923
  H      -5.532801     10.466336      4.261370
  H      -4.702756      3.659493      2.951972
  H      -6.105988      7.336263      0.458876
  H     -13.741608     -1.795412      2.097756
  H     -12.566250     -0.991744      1.009464
  H     -13.619788     -0.006850      2.036672
  H     -11.706491      1.219165      1.478354
  H      -9.940657      2.968888      1.692028
  H      -6.619218      1.962837      7.155348
  H     -10.051565     -0.815013      4.903905
  N      -1.929933      1.556388      2.872250
  H      -1.810179      0.574565      2.607292
  H      -0.994868      1.938769      3.028990
  H      -2.313226      2.039925      2.043242
90
Coordinates from ORCA-job orca E -6670.651347466827
  N      -2.490148      0.025874      5.381964
  Mo     -3.374554      1.749950      4.667095
  N      -4.770363      2.063288      6.169160
  C      -4.296368      2.881247      7.291890
  C      -2.851439      2.531834      7.591998
  N      -2.033874      2.405220      6.331432
  C      -0.964482      1.374247      6.542100
  C      -1.574101     -0.023400      6.493617
  C      -1.395489      3.698461      5.928964
  C      -2.397739      4.617937      5.256690
  N      -3.188667      3.785480      4.356356
  H      -0.778295     -0.772997      6.350580
  H      -2.099712     -0.275774      7.430634
  H      -0.253731      1.480146      5.711931
  H      -0.428965      1.560017      7.488149
  H      -3.048462      5.137524      5.976702
  H      -1.871627      5.406821      4.695843
  H      -0.918500      4.173626      6.802762
  H      -0.609050      3.440244      5.206972
  H      -4.899964      2.711478      8.199861
  H      -4.400540      3.948397      7.037540
  H      -2.825610      1.554627      8.091488
  H      -2.380132      3.269385      8.261600
  C      -5.272040      3.697526     -0.880362
  C      -4.733041      2.771505      0.173097
  O      -3.565830      2.871623      0.568817
  C      -5.624569      1.704883      0.715012
  C      -6.889454      1.396396      0.184710
  C      -7.618077      0.329215      0.700622
  C      -7.096847     -0.427363      1.749826
  F      -7.834004     -1.455450      2.200854
  C      -5.861434     -0.123922      2.345493
  C      -5.241047     -0.921669      3.448445
  O      -5.541329     -2.090549      3.696739
  N      -4.224810     -0.234787      4.100611
  C      -3.401622     -0.846971      4.968448
  C      -5.159587      0.945118      1.789708
  C      -6.961152     11.273436     -0.506392
  C      -6.655920      9.805216     -0.298195
  O      -6.748681      9.009037     -1.229585
  C      -6.240023      9.352077      1.063058
  C      -6.100687     10.238362      2.145219
  C      -5.714139      9.762665      3.393509
  C      -5.452381      8.403658      3.557086
  F      -5.112430      7.995703      4.798923
  C      -5.572352      7.480789      2.505163
  C      -5.319035      5.999455      2.601472
  O      -5.942399      5.240856      1.838374
  N      -4.358040      5.639100      3.523681
  C      -4.106225      4.335555      3.569112
  C      -5.984646      7.991139      1.270160
  C     -13.043770     -0.757481      1.886125
  C     -12.016365     -0.886409      2.991856
  O     -12.047613     -1.838421      3.766854
  C     -10.969899      0.173088      3.113180
  C     -10.914468      1.280173      2.246987
  C      -9.921042      2.240629      2.395523
  C      -8.972220      2.085267      3.403412
  F      -8.039898      3.053262      3.517397
  C      -8.984501      0.996485      4.289108
  C      -8.005811      0.812323      5.419357
  O      -8.364273      0.216873      6.444661
  N      -6.739729      1.289651      5.169730
  C      -6.067246      1.728427      6.208488
  C     -10.010608      0.061359      4.126983
  H      -6.090916      4.291211     -0.447036
  H      -4.477047      4.369905     -1.218629
  H      -5.677083      3.137879     -1.736514
  H      -7.307944      1.980103     -0.635096
  H      -8.603188      0.071436      0.312198
  H      -3.510906     -1.887061      5.303876
  H      -4.176810      1.188059      2.188332
  H      -7.778556     11.601074      0.153968
  H      -6.084307     11.894335     -0.267606
  H      -7.248526     11.433909     -1.550916
  H      -6.299741     11.303123      2.022213
  H      -5.617732     10.426335      4.253293
  H      -4.682607      3.635416      2.941881
  H      -6.109009      7.296655      0.438967
  H     -13.743986     -1.597058      1.948874
  H     -12.553828     -0.762286      0.900330
  H     -13.596527      0.190294      1.968005
  H     -11.651552      1.399898      1.452994
  H      -9.858416      3.110752      1.741364
  H      -6.596387      1.898064      7.164797
  H     -10.055009     -0.785920      4.812451
  N      -1.904679      1.575488      2.880225
  H      -1.759672      0.596981      2.614765
  H      -0.979443      1.982639      3.034826
  H      -2.301916      2.050391      2.051716
90
Coordinates from ORCA-job orca E -6670.651635166339
  N      -2.432648      0.027334      5.368397
  Mo     -3.358278      1.740325      4.677863
  N      -4.751553      2.013832      6.188821
  C      -4.288648      2.823540      7.322226
  C      -2.835159      2.500678      7.608026
  N      -2.023311      2.406928      6.340748
  C      -0.930220      1.397677      6.534553
  C      -1.508128     -0.013068      6.473728
  C      -1.416374      3.718803      5.950301
  C      -2.439706      4.620677      5.286044
  N      -3.210408      3.780700      4.374169
  H      -0.695904     -0.742009      6.316718
  H      -2.020921     -0.288939      7.411245
  H      -0.225832      1.527842      5.702302
  H      -0.393694      1.584954      7.479754
  H      -3.104730      5.115418      6.010477
  H      -1.932403      5.428690      4.735371
  H      -0.951203      4.196910      6.828853
  H      -0.623138      3.487237      5.226697
  H      -4.882595      2.625495      8.231036
  H      -4.418672      3.892647      7.087654
  H      -2.785204      1.517734      8.094270
  H      -2.374820      3.239167      8.284211
  C      -5.341794      3.662148     -0.864425
  C      -4.777851      2.743166      0.182728
  O      -3.609870      2.862714      0.570547
  C      -5.653847      1.674037      0.745021
  C      -6.931939      1.363707      0.247858
  C      -7.644952      0.294204      0.781019
  C      -7.094254     -0.463564      1.814145
  F      -7.814351     -1.495710      2.281874
  C      -5.845841     -0.156678      2.378930
  C      -5.197606     -0.950152      3.468613
  O      -5.476089     -2.124874      3.714022
  N      -4.180988     -0.251885      4.108496
  C      -3.338495     -0.856164      4.963328
  C      -5.160422      0.914598      1.807310
  C      -6.980275     11.225072     -0.547690
  C      -6.672543      9.759324     -0.326101
  O      -6.759014      8.955347     -1.251534
  C      -6.263552      9.318198      1.041168
  C      -6.131156     10.213639      2.116477
  C      -5.750967      9.748764      3.370827
  C      -5.488793      8.391567      3.547471
  F      -5.155657      7.994964      4.794848
  C      -5.602209      7.459686      2.502810
  C      -5.350673      5.978962      2.613454
  O      -5.964036      5.216327      1.847077
  N      -4.389500      5.625903      3.537168
  C      -4.124791      4.324625      3.579272
  C      -6.008020      7.959351      1.261321
  C     -13.028398     -0.602982      1.796619
  C     -12.005960     -0.789853      2.898492
  O     -12.048705     -1.773949      3.632033
  C     -10.947147      0.250648      3.065847
  C     -10.876348      1.391099      2.245110
  C      -9.874248      2.335005      2.436294
  C      -8.932451      2.129895      3.441392
  F      -7.993062      3.084162      3.600661
  C      -8.958463      1.004501      4.281240
  C      -7.982229      0.763884      5.403661
  O      -8.346818      0.140171      6.409015
  N      -6.713878      1.244777      5.174064
  C      -6.046961      1.668835      6.221103
  C      -9.993285      0.087748      4.077451
  H      -6.168627      4.239878     -0.424639
  H      -4.561655      4.349163     -1.207229
  H      -5.742303      3.095907     -1.718547
  H      -7.373314      1.948516     -0.559005
  H      -8.640709      0.037044      0.419820
  H      -3.433275     -1.897056      5.300228
  H      -4.169493      1.159648      2.182481
  H      -7.801143     11.557063      0.106286
  H      -6.105539     11.849458     -0.310579
  H      -7.263723     11.376248     -1.594726
  H      -6.330636     11.277010      1.983363
  H      -5.659819     10.419592      4.225498
  H      -4.685801      3.622144      2.941972
  H      -6.127358      7.258393      0.434627
  H     -13.733852     -1.440448      1.816592
  H     -12.536681     -0.561462      0.812641
  H     -13.575899      0.342679      1.924593
  H     -11.608280      1.550691      1.453188
  H      -9.798319      3.229094      1.816848
  H      -6.578181      1.816939      7.179962
  H     -10.048439     -0.787299      4.726844
  N      -1.903282      1.611881      2.875081
  H      -1.730220      0.639239      2.604743
  H      -0.989841      2.046909      3.024614
  H      -2.319469      2.078061      2.050737
90
Coordinates from ORCA-job orca E -6670.651944558766
  N      -2.402232      0.031746      5.346969
  Mo     -3.353863      1.741245      4.682220
  N      -4.744633      1.984567      6.199661
  C      -4.288910      2.779901      7.346084
  C      -2.831322      2.470700      7.620482
  N      -2.024019      2.405837      6.348476
  C      -0.915889      1.410310      6.525885
  C      -1.472363     -0.008419      6.447982
  C      -1.438615      3.732010      5.974709
  C      -2.473586      4.623741      5.315312
  N      -3.226706      3.784177      4.387401
  H      -0.648955     -0.721528      6.277079
  H      -1.975948     -0.306271      7.383602
  H      -0.215152      1.561440      5.694089
  H      -0.379316      1.592918      7.471961
  H      -3.151767      5.097446      6.041808
  H      -1.977508      5.447544      4.778236
  H      -0.986600      4.208513      6.860849
  H      -0.636763      3.523906      5.253231
  H      -4.876507      2.556775      8.253392
  H      -4.434749      3.851627      7.133148
  H      -2.766975      1.481221      8.091325
  H      -2.376678      3.204257      8.305652
  C      -5.388316      3.644583     -0.863627
  C      -4.817850      2.742609      0.195339
  O      -3.657403      2.888328      0.596313
  C      -5.680480      1.662863      0.759344
  C      -6.958825      1.341012      0.270687
  C      -7.659040      0.264913      0.807936
  C      -7.094514     -0.489015      1.836183
  F      -7.801012     -1.528273      2.310344
  C      -5.843412     -0.172587      2.389517
  C      -5.181006     -0.959333      3.475164
  O      -5.442642     -2.138625      3.716666
  N      -4.163770     -0.253540      4.105594
  C      -3.309322     -0.854708      4.950239
  C      -5.171305      0.905078      1.815396
  C      -6.951915     11.217588     -0.577646
  C      -6.660368      9.750641     -0.342370
  O      -6.760473      8.938359     -1.259021
  C      -6.250154      9.318969      1.027344
  C      -6.102883     10.224428      2.092640
  C      -5.720999      9.768637      3.349702
  C      -5.471958      8.410501      3.539013
  F      -5.135562      8.023952      4.788620
  C      -5.600687      7.468858      2.504629
  C      -5.362325      5.986872      2.627817
  O      -5.991941      5.223025      1.874720
  N      -4.399771      5.632420      3.548868
  C      -4.130886      4.331462      3.583301
  C      -6.007748      7.959595      1.260281
  C     -13.014620     -0.589679      1.767331
  C     -11.987194     -0.788491      2.862258
  O     -12.017199     -1.787504      3.575362
  C     -10.940145      0.261160      3.049829
  C     -10.882012      1.417156      2.251051
  C      -9.891292      2.368967      2.461418
  C      -8.947655      2.156117      3.463431
  F      -8.021943      3.118931      3.644141
  C      -8.961125      1.013915      4.281175
  C      -7.983408      0.759142      5.399457
  O      -8.343625      0.113997      6.391365
  N      -6.712337      1.238001      5.173680
  C      -6.043040      1.644827      6.224145
  C      -9.984702      0.089682      4.058874
  H      -6.234070      4.205924     -0.439324
  H      -4.619418      4.348244     -1.198524
  H      -5.761978      3.063965     -1.720333
  H      -7.412002      1.924730     -0.530594
  H      -8.655765      0.001656      0.454596
  H      -3.399570     -1.895087      5.290552
  H      -4.179898      1.157022      2.184621
  H      -7.764943     11.566280      0.077131
  H      -6.068358     11.833938     -0.351879
  H      -7.239194     11.361329     -1.624644
  H      -6.291637     11.288628      1.949469
  H      -5.617906     10.447421      4.196999
  H      -4.680028      3.632573      2.932309
  H      -6.137217      7.251162      0.440989
  H     -13.706342     -1.438593      1.766932
  H     -12.527789     -0.512407      0.783138
  H     -13.577516      0.343060      1.923898
  H     -11.614778      1.583593      1.461031
  H      -9.824976      3.275222      1.859250
  H      -6.571800      1.774658      7.187106
  H     -10.029611     -0.798741      4.690015
  N      -1.913605      1.650113      2.864684
  H      -1.718059      0.683393      2.588956
  H      -1.010485      2.106977      3.011188
  H      -2.343976      2.109523      2.044237
90
Coordinates from ORCA-job orca E -6670.652222301705
  N      -2.361734      0.038302      5.327923
  Mo     -3.343480      1.739567      4.686683
  N      -4.738110      1.947233      6.204316
  C      -4.297733      2.729484      7.366053
  C      -2.836608      2.437841      7.635839
  N      -2.028802      2.406360      6.362615
  C      -0.901907      1.429900      6.527237
  C      -1.430106      0.001244      6.427962
  C      -1.469941      3.749572      6.010276
  C      -2.516604      4.625820      5.349096
  N      -3.242745      3.783558      4.401182
  H      -0.591818     -0.691299      6.244982
  H      -1.925931     -0.322357      7.358918
  H      -0.202453      1.606853      5.699567
  H      -0.370165      1.608973      7.476771
  H      -3.213734      5.076007      6.072922
  H      -2.032659      5.467013      4.828251
  H      -1.040351      4.226385      6.907318
  H      -0.653413      3.570855      5.297122
  H      -4.882158      2.479046      8.268287
  H      -4.460835      3.802810      7.174252
  H      -2.757243      1.441954      8.090742
  H      -2.392320      3.166617      8.332633
  C      -5.411777      3.631970     -0.851991
  C      -4.828920      2.731263      0.201923
  O      -3.663680      2.876433      0.588214
  C      -5.679923      1.642761      0.767073
  C      -6.961687      1.315603      0.291244
  C      -7.650822      0.232962      0.830730
  C      -7.072336     -0.520660      1.850871
  F      -7.768184     -1.563811      2.333165
  C      -5.816871     -0.198531      2.390698
  C      -5.141173     -0.978726      3.471936
  O      -5.390494     -2.160271      3.715366
  N      -4.130052     -0.260594      4.098383
  C      -3.265608     -0.854262      4.937736
  C      -5.154573      0.882732      1.813347
  C      -6.956357     11.206236     -0.594987
  C      -6.676045      9.738029     -0.353429
  O      -6.794143      8.920851     -1.263473
  C      -6.254121      9.311758      1.014263
  C      -6.087082     10.223627      2.071410
  C      -5.693376      9.773619      3.326756
  C      -5.452291      8.414864      3.522440
  F      -5.101252      8.035195      4.770071
  C      -5.600974      7.466922      2.496415
  C      -5.368677      5.984432      2.625559
  O      -6.015576      5.219077      1.887722
  N      -4.409778      5.629427      3.549938
  C      -4.132942      4.329805      3.580878
  C      -6.019313      7.952044      1.253670
  C     -13.041965     -0.533323      1.765485
  C     -12.006442     -0.749982      2.849247
  O     -12.036431     -1.756106      3.551963
  C     -10.951003      0.290993      3.039311
  C     -10.889230      1.452470      2.249616
  C      -9.890243      2.395561      2.462034
  C      -8.942251      2.168149      3.457299
  F      -8.006715      3.120339      3.640474
  C      -8.960504      1.019579      4.266062
  C      -7.980089      0.743487      5.376350
  O      -8.348047      0.110605      6.372229
  N      -6.705435      1.220473      5.157077
  C      -6.039395      1.612363      6.213804
  C      -9.991186      0.104662      4.042023
  H      -6.258806      4.188037     -0.423740
  H      -4.649484      4.342026     -1.188933
  H      -5.783952      3.048785     -1.707679
  H      -7.426978      1.901618     -0.501507
  H      -8.650056     -0.033211      0.485945
  H      -3.348454     -1.893578      5.283181
  H      -4.160916      1.136439      2.175182
  H      -7.757310     11.567353      0.067748
  H      -6.063803     11.815192     -0.384615
  H      -7.255432     11.346050     -1.639195
  H      -6.269011     11.288314      1.923108
  H      -5.573955     10.457338      4.168010
  H      -4.663352      3.630778      2.914672
  H      -6.162823      7.238359      0.441355
  H     -13.734601     -1.381388      1.758306
  H     -12.565205     -0.439653      0.777909
  H     -13.602823      0.397158      1.943639
  H     -11.624418      1.630520      1.464542
  H      -9.820860      3.306373      1.867233
  H      -6.571286      1.727637      7.177042
  H     -10.038871     -0.788936      4.665229
  N      -1.913884      1.694550      2.857915
  H      -1.688738      0.735980      2.576352
  H      -1.025360      2.178921      3.005652
  H      -2.358648      2.144654      2.040667
90
Coordinates from ORCA-job orca E -6670.652511886065
  N      -2.328317      0.045158      5.309286
  Mo     -3.340393      1.738576      4.697016
  N      -4.728890      1.916323      6.222638
  C      -4.291648      2.685067      7.395509
  C      -2.825820      2.406099      7.651499
  N      -2.026776      2.405348      6.372138
  C      -0.882622      1.445691      6.515952
  C      -1.387111      0.009933      6.401391
  C      -1.493095      3.762588      6.034881
  C      -2.553640      4.626070      5.379656
  N      -3.261843      3.782413      4.418913
  H      -0.538096     -0.664646      6.201590
  H      -1.869002     -0.335358      7.331584
  H      -0.191890      1.646029      5.686461
  H      -0.347482      1.620738      7.464164
  H      -3.261211      5.056418      6.105608
  H      -2.083416      5.481576      4.869743
  H      -1.076368      4.238945      6.938052
  H      -0.670050      3.608600      5.323246
  H      -4.867688      2.411479      8.296248
  H      -4.467918      3.759449      7.223505
  H      -2.731897      1.404270      8.090226
  H      -2.384743      3.128543      8.356671
  C      -5.482271      3.616473     -0.832627
  C      -4.873823      2.712648      0.204142
  O      -3.704716      2.867193      0.573855
  C      -5.708606      1.617392      0.780800
  C      -6.995180      1.282241      0.324265
  C      -7.670256      0.195083      0.873036
  C      -7.073821     -0.552858      1.886576
  F      -7.756802     -1.598209      2.382125
  C      -5.813066     -0.221415      2.408728
  C      -5.120426     -0.993876      3.484737
  O      -5.360101     -2.176200      3.735450
  N      -4.111742     -0.264993      4.102050
  C      -3.234213     -0.852289      4.932000
  C      -5.163066      0.861279      1.819806
  C      -6.951156     11.188829     -0.617941
  C      -6.684551      9.719840     -0.365061
  O      -6.821966      8.895279     -1.265632
  C      -6.253389      9.302104      1.002292
  C      -6.066154     10.222447      2.048527
  C      -5.664584      9.780562      3.304163
  C      -5.435402      8.421393      3.510912
  F      -5.075798      8.050895      4.758798
  C      -5.604346      7.464948      2.496056
  C      -5.385250      5.981415      2.637065
  O      -6.039136      5.215997      1.905562
  N      -4.427052      5.626259      3.561806
  C      -4.143200      4.328126      3.588945
  C      -6.030258      7.942510      1.252755
  C     -13.009345     -0.488827      1.707412
  C     -11.981185     -0.717997      2.795426
  O     -12.012091     -1.735323      3.481789
  C     -10.931445      0.323599      3.010036
  C     -10.866812      1.496895      2.238123
  C      -9.872055      2.439617      2.472211
  C      -8.931426      2.200436      3.471228
  F      -7.995601      3.147993      3.673909
  C      -8.953972      1.040694      4.263396
  C      -7.982166      0.751208      5.376432
  O      -8.354102      0.094633      6.355383
  N      -6.701558      1.220344      5.163007
  C      -6.032439      1.588303      6.225870
  C      -9.979497      0.125395      4.018158
  H      -6.328358      4.160909     -0.388391
  H      -4.732594      4.337459     -1.174372
  H      -5.859927      3.035616     -1.687356
  H      -7.474877      1.865243     -0.462259
  H      -8.671303     -0.077803      0.540428
  H      -3.309765     -1.890420      5.283116
  H      -4.165171      1.118427      2.167724
  H      -7.739793     11.565738      0.050743
  H      -6.049230     11.789213     -0.424295
  H      -7.261011     11.321980     -1.659794
  H      -6.238617     11.287337      1.891632
  H      -5.529673     10.470856      4.137427
  H      -4.659435      3.630014      2.912410
  H      -6.190241      7.221894      0.450203
  H     -13.694291     -1.342783      1.678064
  H     -12.526705     -0.370183      0.725600
  H     -13.580166      0.432496      1.900846
  H     -11.596526      1.685199      1.449583
  H      -9.800842      3.359608      1.892076
  H      -6.564186      1.696133      7.190185
  H     -10.030017     -0.777249      4.627819
  N      -1.935163      1.731617      2.847973
  H      -1.684550      0.780888      2.562109
  H      -1.060416      2.241803      2.988978
  H      -2.400047      2.169742      2.035873
90
Coordinates from ORCA-job orca E -6670.652836623312
  N      -2.309729      0.049133      5.297726
  Mo     -3.339872      1.740152      4.713260
  N      -4.716802      1.903747      6.249085
  C      -4.272908      2.659507      7.429286
  C      -2.803718      2.381397      7.668965
  N      -2.017243      2.402249      6.381852
  C      -0.862852      1.450851      6.503469
  C      -1.355874      0.011730      6.379556
  C      -1.498727      3.768138      6.052808
  C      -2.568664      4.625211      5.404603
  N      -3.268190      3.781290      4.437676
  H      -0.502707     -0.652203      6.162532
  H      -1.823511     -0.347870      7.311540
  H      -0.183629      1.667906      5.668926
  H      -0.319200      1.620524      7.448023
  H      -3.279123      5.045227      6.133738
  H      -2.107413      5.488727      4.899669
  H      -1.086680      4.244088      6.958418
  H      -0.674861      3.627920      5.339423
  H      -4.840877      2.370869      8.330161
  H      -4.452118      3.735368      7.272644
  H      -2.702968      1.373898      8.093288
  H      -2.357654      3.094944      8.380017
  C      -5.570413      3.575477     -0.829649
  C      -4.942547      2.683794      0.205423
  O      -3.770424      2.852101      0.560001
  C      -5.760051      1.584809      0.797918
  C      -7.047161      1.235444      0.354487
  C      -7.710040      0.148813      0.917860
  C      -7.100383     -0.583849      1.934306
  F      -7.773991     -1.627051      2.447384
  C      -5.837548     -0.238793      2.443424
  C      -5.133371     -0.999584      3.521011
  O      -5.363684     -2.180886      3.782164
  N      -4.116530     -0.263514      4.121463
  C      -3.225061     -0.847408      4.938881
  C      -5.199003      0.841947      1.838603
  C      -6.980031     11.170216     -0.622441
  C      -6.716801      9.701718     -0.362703
  O      -6.872305      8.871388     -1.254978
  C      -6.264737      9.291944      1.000354
  C      -6.057132     10.219115      2.036778
  C      -5.637603      9.784501      3.289013
  C      -5.410151      8.425806      3.501983
  F      -5.034614      8.063795      4.747599
  C      -5.598454      7.462419      2.496660
  C      -5.383723      5.978372      2.643325
  O      -6.045331      5.210153      1.920391
  N      -4.427180      5.624478      3.569840
  C      -4.141908      4.327295      3.598610
  C      -6.042752      7.933438      1.256907
  C     -12.933408     -0.441885      1.609694
  C     -11.923370     -0.681590      2.712714
  O     -11.962274     -1.708732      3.383895
  C     -10.886138      0.364811      2.964182
  C     -10.814049      1.550463      2.211681
  C      -9.827444      2.493801      2.476343
  C      -8.901717      2.241934      3.486493
  F      -7.969658      3.186876      3.718582
  C      -8.933913      1.072922      4.261391
  C      -7.975370      0.772761      5.381791
  O      -8.356327      0.102531      6.349023
  N      -6.691442      1.236116      5.179359
  C      -6.022229      1.585205      6.249575
  C      -9.951383      0.156213      3.986763
  H      -6.415973      4.116419     -0.380665
  H      -4.830724      4.300813     -1.184101
  H      -5.951734      2.985518     -1.676380
  H      -7.537276      1.807142     -0.433931
  H      -8.710846     -0.134877      0.594460
  H      -3.299108     -1.882491      5.299449
  H      -4.199489      1.105052      2.175446
  H      -7.754649     11.556245      0.057303
  H      -6.071604     11.767190     -0.449310
  H      -7.307198     11.297060     -1.659757
  H      -6.228393     11.283562      1.875186
  H      -5.487694     10.479977      4.115480
  H      -4.650092      3.628580      2.916628
  H      -6.220016      7.206526      0.464108
  H     -13.609424     -1.301329      1.553464
  H     -12.434536     -0.301632      0.639034
  H     -13.516571      0.470584      1.808438
  H     -11.531139      1.746228      1.414090
  H      -9.751632      3.423722      1.912068
  H      -6.555087      1.693981      7.212993
  H     -10.008453     -0.755290      4.582060
  N      -1.966285      1.754811      2.838514
  H      -1.698717      0.809358      2.550652
  H      -1.101667      2.284540      2.968428
  H      -2.451566      2.181230      2.031444
90
Coordinates from ORCA-job orca E -6670.653186050337
  N      -2.300010      0.061890      5.268002
  Mo     -3.347056      1.753715      4.726958
  N      -4.712819      1.892660      6.274419
  C      -4.261076      2.625365      7.467459
  C      -2.789389      2.343825      7.688096
  N      -2.016504      2.398185      6.394618
  C      -0.852016      1.454537      6.485674
  C      -1.334406      0.013507      6.340163
  C      -1.513723      3.775487      6.085103
  C      -2.593158      4.629689      5.448872
  N      -3.280226      3.790504      4.469838
  H      -0.477566     -0.637752      6.100609
  H      -1.788135     -0.367486      7.270468
  H      -0.185404      1.696023      5.648016
  H      -0.300201      1.610988      7.427789
  H      -3.307367      5.034131      6.182889
  H      -2.141078      5.504595      4.954887
  H      -1.107566      4.244700      6.996848
  H      -0.689290      3.653652      5.369460
  H      -4.821580      2.314849      8.365353
  H      -4.440669      3.703748      7.333803
  H      -2.683772      1.326596      8.087317
  H      -2.337069      3.040186      8.412183
  C      -5.651751      3.575571     -0.823795
  C      -5.005724      2.685390      0.200902
  O      -3.831267      2.863365      0.543323
  C      -5.805212      1.575299      0.795805
  C      -7.086250      1.205766      0.351159
  C      -7.737300      0.115102      0.920181
  C      -7.121963     -0.599675      1.945760
  F      -7.786886     -1.643110      2.467965
  C      -5.862747     -0.237453      2.453294
  C      -5.150789     -0.987810      3.533545
  O      -5.375748     -2.167137      3.806434
  N      -4.129089     -0.244995      4.121906
  C      -3.224048     -0.829829      4.923299
  C      -5.235121      0.845596      1.840759
  C      -6.942685     11.161420     -0.652349
  C      -6.696664      9.692851     -0.375753
  O      -6.868814      8.853501     -1.256540
  C      -6.240469      9.294345      0.989489
  C      -6.016027     10.231287      2.013246
  C      -5.593847      9.806877      3.268115
  C      -5.379894      8.448515      3.496711
  F      -5.002712      8.099374      4.745446
  C      -5.584295      7.475144      2.503905
  C      -5.384528      5.990278      2.662737
  O      -6.040240      5.222913      1.935267
  N      -4.435018      5.633416      3.594568
  C      -4.145603      4.338042      3.620197
  C      -6.031752      7.937207      1.261253
  C     -12.879790     -0.465532      1.566413
  C     -11.885685     -0.696496      2.686057
  O     -11.923288     -1.727687      3.351772
  C     -10.861627      0.357652      2.954182
  C     -10.790321      1.546786      2.205881
  C      -9.812477      2.495961      2.481632
  C      -8.894688      2.246143      3.498709
  F      -7.971118      3.195823      3.744509
  C      -8.927389      1.076523      4.271609
  C      -7.974704      0.783858      5.398640
  O      -8.360573      0.118310      6.368683
  N      -6.690945      1.248051      5.197483
  C      -6.019403      1.581820      6.273331
  C      -9.937051      0.153089      3.986829
  H      -6.495406      4.110770     -0.363885
  H      -4.920771      4.306634     -1.184042
  H      -6.039380      2.986813     -1.668438
  H      -7.581163      1.764773     -0.443268
  H      -8.732476     -0.184223      0.595012
  H      -3.297320     -1.863106      5.289064
  H      -4.238776      1.118052      2.177021
  H      -7.706440     11.566251      0.028905
  H      -6.024911     11.747823     -0.493913
  H      -7.276429     11.279476     -1.688585
  H      -6.176417     11.295448      1.839768
  H      -5.431847     10.510132      4.085460
  H      -4.641223      3.638699      2.927187
  H      -6.222113      7.200648      0.480321
  H     -13.543759     -1.333490      1.496921
  H     -12.365865     -0.317292      0.604794
  H     -13.477388      0.439057      1.756104
  H     -11.502316      1.739539      1.402856
  H      -9.739324      3.428960      1.921946
  H      -6.551506      1.687895      7.237090
  H      -9.995108     -0.759675      4.580276
  N      -2.010448      1.806944      2.822314
  H      -1.725320      0.870108      2.523562
  H      -1.157451      2.356468      2.944948
  H      -2.518106      2.227235      2.025071
90
Coordinates from ORCA-job orca E -6670.653524691085
  N      -2.269895      0.077717      5.244196
  Mo     -3.341574      1.762661      4.737354
  N      -4.706839      1.872065      6.287903
  C      -4.257174      2.586094      7.493840
  C      -2.782889      2.311463      7.704410
  N      -2.015978      2.400190      6.410284
  C      -0.837142      1.471503      6.480449
  C      -1.298878      0.026485      6.312546
  C      -1.533907      3.789943      6.120482
  C      -2.623875      4.635134      5.489206
  N      -3.288891      3.796798      4.494764
  H      -0.433416     -0.607462      6.058122
  H      -1.742277     -0.376621      7.238585
  H      -0.179153      1.737759      5.643473
  H      -0.283515      1.620142      7.422885
  H      -3.348657      5.018355      6.223931
  H      -2.183497      5.523767      5.009032
  H      -1.138492      4.254125      7.039522
  H      -0.706148      3.688352      5.405900
  H      -4.813337      2.253798      8.386496
  H      -4.443839      3.665513      7.379975
  H      -2.667973      1.286457      8.080478
  H      -2.333692      2.995299      8.442478
  C      -5.711126      3.561054     -0.821867
  C      -5.048506      2.677025      0.197100
  O      -3.876044      2.873107      0.537480
  C      -5.829589      1.556221      0.794663
  C      -7.103561      1.164482      0.348611
  C      -7.738859      0.066608      0.921227
  C      -7.115096     -0.632089      1.953047
  F      -7.766056     -1.682009      2.479606
  C      -5.861364     -0.249911      2.459625
  C      -5.137620     -0.989678      3.539096
  O      -5.354178     -2.167257      3.822081
  N      -4.116033     -0.235986      4.119041
  C      -3.197970     -0.816437      4.908987
  C      -5.249652      0.839743      1.842936
  C      -6.923181     11.146512     -0.673730
  C      -6.684624      9.678622     -0.387161
  O      -6.859770      8.834393     -1.262705
  C      -6.231776      9.286886      0.981243
  C      -6.005243     10.229126      1.999773
  C      -5.586046      9.810455      3.257584
  C      -5.377503      8.452659      3.494825
  F      -5.001425      8.110620      4.745888
  C      -5.583692      7.474096      2.507392
  C      -5.387420      5.989447      2.672010
  O      -6.039033      5.220252      1.942998
  N      -4.446551      5.633747      3.613050
  C      -4.144486      4.341617      3.632853
  C      -6.027913      7.930920      1.261420
  C     -12.883352     -0.420838      1.555463
  C     -11.889692     -0.664821      2.673021
  O     -11.940959     -1.694659      3.340190
  C     -10.855661      0.378249      2.943043
  C     -10.773612      1.567903      2.196480
  C      -9.787091      2.507283      2.472830
  C      -8.871767      2.247196      3.489929
  F      -7.943646      3.192018      3.739348
  C      -8.913866      1.075959      4.260750
  C      -7.965524      0.776641      5.390304
  O      -8.361163      0.120940      6.363213
  N      -6.680358      1.236903      5.196605
  C      -6.012700      1.559841      6.279467
  C      -9.932503      0.162662      3.974958
  H      -6.558697      4.085154     -0.355852
  H      -4.991118      4.301692     -1.184946
  H      -6.097582      2.970559     -1.665933
  H      -7.605112      1.710883     -0.450264
  H      -8.728998     -0.250264      0.595066
  H      -3.268159     -1.848122      5.279669
  H      -4.258708      1.126677      2.180004
  H      -7.685315     11.559561      0.004369
  H      -6.002375     11.729254     -0.518346
  H      -7.255525     11.259214     -1.711081
  H      -6.161028     11.292916      1.819567
  H      -5.422029     10.518007      4.071001
  H      -4.617344      3.642565      2.924462
  H      -6.218501      7.189251      0.485013
  H     -13.557146     -1.281274      1.485852
  H     -12.368488     -0.277587      0.593357
  H     -13.470322      0.490448      1.746332
  H     -11.484858      1.767543      1.395043
  H      -9.706678      3.440354      1.914973
  H      -6.548846      1.656676      7.241606
  H      -9.999865     -0.750197      4.567639
  N      -2.028483      1.854246      2.814871
  H      -1.721595      0.926153      2.509854
  H      -1.189555      2.426192      2.933976
  H      -2.553271      2.264143      2.022651
90
Coordinates from ORCA-job orca E -6670.653839441918
  N      -2.239720      0.097721      5.212389
  Mo     -3.338536      1.773704      4.742897
  N      -4.703102      1.850094      6.298278
  C      -4.255183      2.543271      7.516594
  C      -2.778332      2.277909      7.714755
  N      -2.018402      2.404971      6.421031
  C      -0.824717      1.493508      6.469296
  C      -1.263671      0.044585      6.276886
  C      -1.560725      3.808107      6.154526
  C      -2.664078      4.642087      5.530260
  N      -3.303430      3.805880      4.517745
  H      -0.388926     -0.570045      6.007454
  H      -1.695815     -0.382633      7.197480
  H      -0.175287      1.784139      5.633511
  H      -0.269418      1.634285      7.411752
  H      -3.402094      4.995561      6.266493
  H      -2.239554      5.547683      5.068085
  H      -1.176099      4.264079      7.081902
  H      -0.730384      3.730808      5.439985
  H      -4.805303      2.188025      8.404218
  H      -4.451996      3.623207      7.425051
  H      -2.651783      1.244739      8.063132
  H      -2.333707      2.947615      8.468500
  C      -5.773334      3.556030     -0.810098
  C      -5.096250      2.679781      0.206256
  O      -3.923595      2.886619      0.539031
  C      -5.860266      1.546158      0.803254
  C      -7.128805      1.134956      0.358441
  C      -7.746160      0.027238      0.931954
  C      -7.110310     -0.662164      1.963217
  F      -7.745195     -1.720712      2.491839
  C      -5.860611     -0.261930      2.466038
  C      -5.121545     -0.990115      3.541815
  O      -5.325340     -2.168595      3.830090
  N      -4.101291     -0.225208      4.109296
  C      -3.169059     -0.800570      4.885600
  C      -5.267423      0.837469      1.848693
  C      -6.872278     11.138603     -0.705137
  C      -6.650226      9.670711     -0.405956
  O      -6.828474      8.821516     -1.276059
  C      -6.208873      9.285220      0.967895
  C      -5.979395     10.232719      1.980909
  C      -5.570474      9.819060      3.243723
  C      -5.375806      8.461187      3.492000
  F      -5.006424      8.124944      4.746692
  C      -5.586044      7.477539      2.510917
  C      -5.401922      5.992649      2.685527
  O      -6.051971      5.224355      1.955273
  N      -4.469342      5.635881      3.634931
  C      -4.150857      4.347348      3.645118
  C      -6.018711      7.929605      1.259184
  C     -12.881318     -0.399525      1.545071
  C     -11.892390     -0.650704      2.665321
  O     -11.945260     -1.685349      3.324594
  C     -10.851590      0.385029      2.937555
  C     -10.764593      1.576768      2.195507
  C      -9.775537      2.511941      2.476293
  C      -8.862768      2.245699      3.493678
  F      -7.934551      3.188848      3.746757
  C      -8.906528      1.067992      4.257828
  C      -7.958710      0.758446      5.387374
  O      -8.359675      0.106999      6.359877
  N      -6.672974      1.218654      5.198150
  C      -6.007497      1.532701      6.284928
  C      -9.928379      0.160596      3.966967
  H      -6.621941      4.072858     -0.337600
  H      -5.062623      4.302107     -1.179917
  H      -6.163050      2.962886     -1.650890
  H      -7.639526      1.673355     -0.440145
  H      -8.732212     -0.304183      0.608428
  H      -3.233421     -1.831155      5.260828
  H      -4.281106      1.140681      2.185796
  H      -7.634187     11.564771     -0.035030
  H      -5.946486     11.713048     -0.548642
  H      -7.197352     11.246416     -1.745284
  H      -6.123792     11.296629      1.791943
  H      -5.403198     10.531018      4.052641
  H      -4.598423      3.649732      2.919089
  H      -6.209628      7.184009      0.486398
  H     -13.558101     -1.257099      1.469529
  H     -12.361478     -0.255417      0.585642
  H     -13.465322      0.513628      1.736117
  H     -11.475652      1.782290      1.394924
  H      -9.691104      3.446209      1.921291
  H      -6.545169      1.611147      7.247759
  H      -9.998605     -0.755173      4.554785
  N      -2.051119      1.903662      2.802908
  H      -1.720145      0.985277      2.494221
  H      -1.228680      2.500260      2.915656
  H      -2.592511      2.298436      2.014858
90
Coordinates from ORCA-job orca E -6670.654107261161
  N      -2.212147      0.114639      5.187352
  Mo     -3.332340      1.782587      4.747525
  N      -4.699323      1.831579      6.305115
  C      -4.254263      2.505635      7.534457
  C      -2.775751      2.247926      7.723737
  N      -2.019999      2.409508      6.432280
  C      -0.814051      1.513782      6.463691
  C      -1.232991      0.061058      6.249821
  C      -1.585318      3.824741      6.189036
  C      -2.700567      4.647007      5.569007
  N      -3.311899      3.813904      4.536701
  H      -0.349659     -0.536017      5.969081
  H      -1.655848     -0.387535      7.164645
  H      -0.170528      1.824070      5.630166
  H      -0.258197      1.648227      7.406675
  H      -3.453713      4.967863      6.304467
  H      -2.292215      5.569696      5.126940
  H      -1.213209      4.272067      7.125413
  H      -0.750830      3.772237      5.476997
  H      -4.799845      2.130754      8.416914
  H      -4.460474      3.585627      7.463761
  H      -2.639951      1.207592      8.046532
  H      -2.336168      2.903987      8.492409
  C      -5.817708      3.543288     -0.808853
  C      -5.124346      2.666438      0.195943
  O      -3.952036      2.883011      0.523039
  C      -5.876775      1.527696      0.798550
  C      -7.143964      1.103824      0.360765
  C      -7.748330     -0.007687      0.940834
  C      -7.102262     -0.687512      1.972247
  F      -7.726726     -1.748057      2.509434
  C      -5.853954     -0.274696      2.467544
  C      -5.103285     -0.990568      3.543000
  O      -5.299515     -2.167954      3.839877
  N      -4.083884     -0.216466      4.100437
  C      -3.141555     -0.786905      4.867670
  C      -5.273302      0.827413      1.843081
  C      -6.841972     11.130518     -0.728852
  C      -6.623877      9.663409     -0.423339
  O      -6.798624      8.811372     -1.291369
  C      -6.193107      9.282103      0.954929
  C      -5.968927     10.232730      1.966331
  C      -5.569688      9.822477      3.233299
  C      -5.379638      8.465112      3.487573
  F      -5.018906      8.132166      4.745688
  C      -5.585903      7.478467      2.508862
  C      -5.405609      5.993802      2.689580
  O      -6.055479      5.224173      1.960757
  N      -4.483203      5.638171      3.649312
  C      -4.149519      4.353189      3.652091
  C      -6.008154      7.926996      1.252482
  C     -12.886414     -0.364937      1.539391
  C     -11.890966     -0.632543      2.649927
  O     -11.948677     -1.670251      3.303877
  C     -10.847650      0.398298      2.930926
  C     -10.760516      1.597494      2.201432
  C      -9.770751      2.529057      2.492181
  C      -8.858031      2.252222      3.507110
  F      -7.930960      3.193953      3.769275
  C      -8.902000      1.065473      4.258578
  C      -7.953735      0.742824      5.384465
  O      -8.355551      0.083582      6.350253
  N      -6.667878      1.205029      5.198840
  C      -6.002353      1.508707      6.287765
  C      -9.924045      0.162762      3.957513
  H      -6.661888      4.054554     -0.322076
  H      -5.115324      4.293475     -1.186129
  H      -6.218265      2.952716     -1.646302
  H      -7.663388      1.634863     -0.437106
  H      -8.733790     -0.348990      0.624338
  H      -3.200355     -1.815764      5.248369
  H      -4.289518      1.142547      2.176226
  H      -7.607728     11.560141     -0.065386
  H      -5.916457     11.704353     -0.568306
  H      -7.160230     11.235109     -1.771475
  H      -6.109678     11.296226      1.772635
  H      -5.406110     10.536973      4.040720
  H      -4.572669      3.657711      2.908614
  H      -6.194273      7.179808      0.480127
  H     -13.570142     -1.216762      1.460907
  H     -12.371603     -0.216714      0.577859
  H     -13.462267      0.550997      1.741933
  H     -11.471113      1.811458      1.402723
  H      -9.684857      3.468479      1.946078
  H      -6.539953      1.568834      7.252070
  H      -9.993552     -0.759806      4.535059
  N      -2.065321      1.939557      2.795188
  H      -1.710451      1.029043      2.489554
  H      -1.259292      2.559853      2.900235
  H      -2.619558      2.315305      2.006850
90
Coordinates from ORCA-job orca E -6670.654341903081
  N      -2.182019      0.125366      5.167716
  Mo     -3.326143      1.782621      4.752226
  N      -4.690418      1.809634      6.315249
  C      -4.244976      2.469531      7.551895
  C      -2.763372      2.223120      7.728786
  N      -2.016124      2.413204      6.436076
  C      -0.797258      1.535548      6.450203
  C      -1.194488      0.077947      6.223238
  C      -1.606427      3.838933      6.208896
  C      -2.735146      4.646631      5.593312
  N      -3.322242      3.814858      4.545145
  H      -0.302923     -0.500830      5.930248
  H      -1.602702     -0.388527      7.135690
  H      -0.163262      1.862607      5.615644
  H      -0.236596      1.668436      7.390652
  H      -3.500579      4.936292      6.328533
  H      -2.345297      5.584658      5.167697
  H      -1.244993      4.281530      7.151505
  H      -0.769064      3.810536      5.498618
  H      -4.781849      2.077306      8.432309
  H      -4.463162      3.548307      7.500360
  H      -2.616095      1.178489      8.032546
  H      -2.326458      2.870407      8.506408
  C      -5.860295      3.507875     -0.804091
  C      -5.156584      2.640879      0.201907
  O      -3.983631      2.864979      0.521156
  C      -5.899782      1.500989      0.813955
  C      -7.168847      1.069825      0.388830
  C      -7.762550     -0.042193      0.978349
  C      -7.104929     -0.714973      2.007015
  F      -7.719877     -1.776622      2.553858
  C      -5.854178     -0.294881      2.489412
  C      -5.090499     -1.000642      3.562403
  O      -5.279946     -2.176496      3.868968
  N      -4.067459     -0.219015      4.103932
  C      -3.113241     -0.782158      4.861841
  C      -5.283831      0.806969      1.855325
  C      -6.841257     11.117967     -0.741649
  C      -6.620523      9.651741     -0.433908
  O      -6.786403      8.798756     -1.302729
  C      -6.197121      9.272686      0.947118
  C      -5.981815     10.224909      1.959107
  C      -5.590366      9.816741      3.229137
  C      -5.399164      8.459953      3.485713
  F      -5.047248      8.128387      4.746665
  C      -5.596973      7.471725      2.506645
  C      -5.416552      5.987262      2.691660
  O      -6.065738      5.215167      1.963744
  N      -4.498931      5.634443      3.656467
  C      -4.151371      4.352975      3.652282
  C      -6.011276      7.917918      1.247017
  C     -12.863304     -0.294790      1.493665
  C     -11.880911     -0.578193      2.611717
  O     -11.945664     -1.624934      3.250149
  C     -10.831434      0.442503      2.909668
  C     -10.729503      1.648073      2.193050
  C      -9.734492      2.568803      2.501389
  C      -8.830960      2.274425      3.520106
  F      -7.898690      3.205958      3.799474
  C      -8.890168      1.080836      4.258262
  C      -7.949578      0.737648      5.383952
  O      -8.356418      0.062214      6.335757
  N      -6.660226      1.194111      5.206315
  C      -5.992730      1.483037      6.296899
  C      -9.916585      0.189576      3.940238
  H      -6.700796      4.021044     -0.312998
  H      -5.163617      4.256809     -1.194373
  H      -6.267976      2.909532     -1.632426
  H      -7.698074      1.595558     -0.406157
  H      -8.748981     -0.389793      0.672197
  H      -3.164952     -1.808406      5.250723
  H      -4.298900      1.128793      2.178222
  H      -7.612875     11.545360     -0.083602
  H      -5.918907     11.695345     -0.575461
  H      -7.152996     11.220969     -1.786404
  H      -6.124184     11.287908      1.763667
  H      -5.434183     10.532467      4.037003
  H      -4.553655      3.661585      2.895170
  H      -6.191467      7.170964      0.473242
  H     -13.550436     -1.142124      1.399398
  H     -12.338096     -0.139188      0.538951
  H     -13.436868      0.621844      1.699987
  H     -11.431434      1.875553      1.390630
  H      -9.636555      3.513287      1.965826
  H      -6.528349      1.529700      7.263283
  H      -9.996109     -0.738686      4.507075
  N      -2.083627      1.953173      2.786456
  H      -1.707493      1.048557      2.488849
  H      -1.292947      2.595105      2.878127
  H      -2.650724      2.306692      1.996759
90
Coordinates from ORCA-job orca E -6670.654514976617
  N      -2.160351      0.128463      5.156615
  Mo     -3.314991      1.779808      4.753291
  N      -4.682724      1.801439      6.320550
  C      -4.237389      2.448965      7.561512
  C      -2.754572      2.207163      7.730436
  N      -2.012071      2.418844      6.438971
  C      -0.785383      1.554141      6.441561
  C      -1.167233      0.089744      6.207984
  C      -1.623631      3.853461      6.227619
  C      -2.762317      4.646504      5.610474
  N      -3.320630      3.813629      4.546985
  H      -0.268893     -0.474695      5.907547
  H      -1.563652     -0.389249      7.119075
  H      -0.157383      1.888980      5.605156
  H      -0.220371      1.687739      7.379409
  H      -3.542659      4.901393      6.341955
  H      -2.390868      5.598978      5.201945
  H      -1.275283      4.290534      7.177442
  H      -0.780982      3.847328      5.522813
  H      -4.768727      2.046361      8.440926
  H      -4.464758      3.526783      7.526316
  H      -2.601774      1.158482      8.017680
  H      -2.319872      2.845271      8.516973
  C      -5.853509      3.461406     -0.818576
  C      -5.148902      2.603581      0.194403
  O      -3.975861      2.829040      0.511799
  C      -5.893053      1.468172      0.813798
  C      -7.161883      1.032285      0.392159
  C      -7.753142     -0.075300      0.991379
  C      -7.095448     -0.738823      2.026177
  F      -7.710928     -1.795235      2.582507
  C      -5.844905     -0.314710      2.504438
  C      -5.077195     -1.008040      3.582899
  O      -5.268545     -2.179461      3.905181
  N      -4.046560     -0.223737      4.106172
  C      -3.085816     -0.781337      4.859487
  C      -5.276654      0.782800      1.860649
  C      -6.875478     11.108491     -0.733718
  C      -6.631456      9.643641     -0.437700
  O      -6.771042      8.796374     -1.316753
  C      -6.219036      9.258622      0.944924
  C      -6.030317     10.204759      1.967702
  C      -5.649870      9.791095      3.239332
  C      -5.444162      8.434907      3.486622
  F      -5.104375      8.095963      4.748940
  C      -5.615957      7.452520      2.496784
  C      -5.422417      5.968715      2.676531
  O      -6.058240      5.193893      1.939847
  N      -4.511669      5.620176      3.648705
  C      -4.144546      4.343917      3.642017
  C      -6.018490      7.903533      1.235404
  C     -12.869336     -0.192712      1.479045
  C     -11.892796     -0.498361      2.595959
  O     -11.976184     -1.546068      3.230711
  C     -10.825986      0.503230      2.899510
  C     -10.698702      1.708089      2.185685
  C      -9.689110      2.610654      2.502402
  C      -8.795965      2.298667      3.525234
  F      -7.851654      3.214606      3.814145
  C      -8.878602      1.103585      4.257813
  C      -7.945088      0.737864      5.382208
  O      -8.357212      0.049382      6.322071
  N      -6.652589      1.188138      5.211755
  C      -5.983268      1.468181      6.302331
  C      -9.919148      0.232103      3.932260
  H      -6.683374      3.988272     -0.323604
  H      -5.155067      4.198526     -1.227561
  H      -6.277634      2.855536     -1.632856
  H      -7.692427      1.550276     -0.406976
  H      -8.738459     -0.428772      0.688940
  H      -3.129155     -1.804651      5.256768
  H      -4.293070      1.112631      2.179496
  H      -7.663786     11.514726     -0.081957
  H      -5.966782     11.701809     -0.549914
  H      -7.175847     11.216289     -1.781348
  H      -6.185512     11.267240      1.779632
  H      -5.514174     10.502035      4.054980
  H      -4.523358      3.649993      2.870572
  H      -6.179647      7.164164      0.450616
  H     -13.577299     -1.022821      1.385913
  H     -12.340974     -0.052071      0.523746
  H     -13.419739      0.738191      1.684047
  H     -11.391606      1.950395      1.379803
  H      -9.571786      3.555742      1.971188
  H      -6.516789      1.503188      7.270764
  H     -10.015483     -0.696463      4.496265
  N      -2.083975      1.943395      2.783454
  H      -1.689629      1.039201      2.508953
  H      -1.305329      2.602495      2.857856
  H      -2.654331      2.269090      1.983623
90
Coordinates from ORCA-job orca E -6670.654695252564
  N      -2.132916      0.133260      5.147354
  Mo     -3.310018      1.772347      4.761267
  N      -4.671048      1.778466      6.333929
  C      -4.223303      2.414118      7.581310
  C      -2.736449      2.185478      7.736658
  N      -2.006008      2.418104      6.441294
  C      -0.767061      1.571819      6.426979
  C      -1.127631      0.104074      6.187552
  C      -1.638465      3.859410      6.238008
  C      -2.785503      4.639886      5.620600
  N      -3.328796      3.806611      4.548655
  H      -0.222969     -0.442548      5.873455
  H      -1.505864     -0.387475      7.099434
  H      -0.152427      1.922844      5.587551
  H      -0.194472      1.706830      7.360089
  H      -3.571799      4.880693      6.350678
  H      -2.425773      5.599707      5.218908
  H      -1.301342      4.297966      7.191216
  H      -0.791790      3.871031      5.538111
  H      -4.743651      1.993229      8.458694
  H      -4.461792      3.489740      7.564384
  H      -2.572084      1.135771      8.013427
  H      -2.300518      2.819398      8.525788
  C      -5.891699      3.414230     -0.811380
  C      -5.174277      2.559209      0.194814
  O      -3.996260      2.784398      0.493652
  C      -5.911655      1.429249      0.831383
  C      -7.187847      0.994879      0.431472
  C      -7.775681     -0.104925      1.048323
  C      -7.106999     -0.760842      2.080718
  F      -7.721128     -1.806223      2.658211
  C      -5.848497     -0.337303      2.538662
  C      -5.071131     -1.022149      3.616491
  O      -5.257848     -2.190920      3.950804
  N      -4.034356     -0.233102      4.121482
  C      -3.062104     -0.783582      4.866524
  C      -5.282967      0.750384      1.875801
  C      -6.910962     11.087462     -0.738455
  C      -6.652244      9.624536     -0.444727
  O      -6.778493      8.778011     -1.326541
  C      -6.243454      9.240398      0.939254
  C      -6.069809     10.186146      1.964689
  C      -5.692389      9.773871      3.237743
  C      -5.474411      8.419394      3.483589
  F      -5.139788      8.081940      4.747597
  C      -5.630325      7.437298      2.490557
  C      -5.424652      5.954860      2.668614
  O      -6.047787      5.176569      1.924983
  N      -4.516849      5.611398      3.644307
  C      -4.141627      4.338188      3.636926
  C      -6.031083      7.886861      1.228020
  C     -12.822914     -0.090244      1.403719
  C     -11.856224     -0.426580      2.520104
  O     -11.951154     -1.487409      3.131412
  C     -10.794116      0.566683      2.862266
  C     -10.655259      1.787769      2.177648
  C      -9.647416      2.680265      2.526274
  C      -8.767663      2.342978      3.551971
  F      -7.824480      3.248587      3.874367
  C      -8.861513      1.131794      4.255788
  C      -7.937061      0.737233      5.376596
  O      -8.354870      0.027279      6.298684
  N      -6.641734      1.186318      5.218310
  C      -5.972791      1.449075      6.313378
  C      -9.901077      0.269778      3.900098
  H      -6.710263      3.949074     -0.306298
  H      -5.196877      4.145930     -1.235771
  H      -6.331125      2.804296     -1.614287
  H      -7.727726      1.508528     -0.364200
  H      -8.765981     -0.456817      0.762185
  H      -3.099221     -1.804031      5.271846
  H      -4.293544      1.076940      2.177492
  H      -7.706624     11.483402     -0.089196
  H      -6.009750     11.690106     -0.549076
  H      -7.207630     11.194791     -1.787142
  H      -6.234616     11.247293      1.777842
  H      -5.568833     10.484291      4.055557
  H      -4.504216      3.648935      2.858611
  H      -6.182100      7.147559      0.441103
  H     -13.531043     -0.916942      1.283554
  H     -12.287531      0.075200      0.456476
  H     -13.374161      0.835336      1.629057
  H     -11.338177      2.050965      1.369250
  H      -9.522368      3.637532      2.019447
  H      -6.505274      1.477883      7.282618
  H     -10.005885     -0.671201      4.441591
  N      -2.101001      1.941531      2.780318
  H      -1.689351      1.042757      2.514004
  H      -1.335821      2.617187      2.843734
  H      -2.681453      2.248019      1.979690
90
Coordinates from ORCA-job orca E -6670.654855533157
  N      -2.108985      0.130329      5.150003
  Mo     -3.297923      1.761292      4.768158
  N      -4.656323      1.767913      6.344042
  C      -4.205863      2.394622      7.595258
  C      -2.717137      2.171412      7.741871
  N      -1.995968      2.417314      6.444585
  C      -0.748684      1.583479      6.420041
  C      -1.095267      0.112168      6.182723
  C      -1.644016      3.863385      6.245097
  C      -2.795375      4.632045      5.620972
  N      -3.322753      3.794574      4.544018
  H      -0.186475     -0.422890      5.860678
  H      -1.460232     -0.384208      7.097411
  H      -0.144976      1.942970      5.576431
  H      -0.169589      1.722783      7.348889
  H      -3.588045      4.865574      6.347004
  H      -2.443298      5.595935      5.221945
  H      -1.319197      4.306041      7.200856
  H      -0.791993      3.886154      5.552161
  H      -4.719872      1.962422      8.470872
  H      -4.448780      3.469504      7.590355
  H      -2.546767      1.120723      8.011277
  H      -2.278714      2.801478      8.532720
  C      -5.899280      3.340004     -0.825416
  C      -5.175286      2.490450      0.180271
  O      -3.996944      2.722677      0.474118
  C      -5.909514      1.369363      0.834405
  C      -7.187097      0.930890      0.444884
  C      -7.774267     -0.158342      1.079812
  C      -7.104149     -0.797280      2.122161
  F      -7.721693     -1.828427      2.721945
  C      -5.842316     -0.370379      2.568429
  C      -5.061910     -1.042481      3.652903
  O      -5.253463     -2.203017      4.010188
  N      -4.018198     -0.248773      4.140512
  C      -3.038702     -0.791017      4.883142
  C      -5.277251      0.704837      1.885919
  C      -6.990220     11.069453     -0.710732
  C      -6.698817      9.609435     -0.433620
  O      -6.793759      8.772471     -1.328334
  C      -6.295047      9.216356      0.949375
  C      -6.155012     10.152149      1.989102
  C      -5.780739      9.731895      3.260482
  C      -5.532299      8.379647      3.490401
  F      -5.204088      8.033745      4.753726
  C      -5.653742      7.407426      2.482392
  C      -5.416226      5.927490      2.642781
  O      -6.017472      5.144856      1.884169
  N      -4.514358      5.590940      3.626265
  C      -4.126968      4.321981      3.621896
  C      -6.052729      7.864444      1.222026
  C     -12.797675      0.052555      1.350268
  C     -11.854700     -0.302287      2.481269
  O     -11.970527     -1.367636      3.080753
  C     -10.775288      0.668290      2.835333
  C     -10.601615      1.885509      2.151789
  C      -9.577155      2.754668      2.509092
  C      -8.714411      2.396842      3.542532
  F      -7.757183      3.282870      3.877386
  C      -8.840716      1.187988      4.243904
  C      -7.929870      0.770689      5.367516
  O      -8.363726      0.063950      6.284966
  N      -6.627754      1.200626      5.219331
  C      -5.960638      1.449484      6.319316
  C      -9.897780      0.349715      3.880385
  H      -6.708094      3.884902     -0.315372
  H      -5.205369      4.064497     -1.263996
  H      -6.351404      2.725009     -1.617153
  H      -7.728848      1.432453     -0.357122
  H      -8.764936     -0.514549      0.800283
  H      -3.071877     -1.807401      5.299048
  H      -4.286048      1.032509      2.178014
  H      -7.802618     11.436316     -0.065266
  H      -6.106378     11.691759     -0.502824
  H      -7.277498     11.183886     -1.761287
  H      -6.343513     11.211685      1.814752
  H      -5.683233     10.434016      4.089254
  H      -4.471420      3.631307      2.837013
  H      -6.177983      7.132300      0.423794
  H     -13.517700     -0.761669      1.218199
  H     -12.245120      0.209619      0.411388
  H     -13.336609      0.987385      1.567797
  H     -11.271241      2.163727      1.338133
  H      -9.428224      3.710411      2.005771
  H      -6.494960      1.481415      7.287155
  H     -10.028326     -0.588514      4.420475
  N      -2.098736      1.923898      2.782283
  H      -1.673234      1.027024      2.531623
  H      -1.343920      2.612269      2.835486
  H      -2.682740      2.209754      1.976012
90
Coordinates from ORCA-job orca E -6670.655046788023
  N      -2.081800      0.122236      5.154146
  Mo     -3.286072      1.741876      4.774499
  N      -4.636180      1.751275      6.358614
  C      -4.180048      2.370478      7.611302
  C      -2.688661      2.156077      7.743605
  N      -1.982574      2.414831      6.441868
  C      -0.724995      1.596337      6.404123
  C      -1.055346      0.120238      6.174478
  C      -1.651375      3.866103      6.243937
  C      -2.810510      4.618294      5.614160
  N      -3.322897      3.773486      4.535970
  H      -0.143062     -0.402197      5.841674
  H      -1.401791     -0.378637      7.094956
  H      -0.136661      1.963284      5.553002
  H      -0.136275      1.743878      7.325801
  H      -3.608016      4.845414      6.337617
  H      -2.468934      5.585877      5.214588
  H      -1.339617      4.315132      7.201131
  H      -0.794829      3.902146      5.557340
  H      -4.683595      1.925860      8.486796
  H      -4.429422      3.444313      7.618730
  H      -2.508688      1.105433      8.006474
  H      -2.246065      2.784475      8.533473
  C      -5.886520      3.251410     -0.834769
  C      -5.165576      2.415690      0.184738
  O      -3.986144      2.649066      0.474564
  C      -5.900935      1.305350      0.854664
  C      -7.182282      0.867650      0.476940
  C      -7.772043     -0.209347      1.130346
  C      -7.100017     -0.835980      2.179574
  F      -7.720696     -1.853415      2.798692
  C      -5.832603     -0.411119      2.611620
  C      -5.048311     -1.071635      3.700388
  O      -5.245014     -2.223365      4.081310
  N      -3.996462     -0.274285      4.164791
  C      -3.006589     -0.806157      4.902206
  C      -5.266178      0.651244      1.910745
  C      -7.100898     11.033044     -0.676259
  C      -6.769492      9.578000     -0.418804
  O      -6.825162      8.753959     -1.328695
  C      -6.375310      9.173494      0.963792
  C      -6.279113     10.095027      2.020923
  C      -5.911216      9.664419      3.290731
  C      -5.625671      8.316416      3.502091
  F      -5.306060      7.959770      4.764597
  C      -5.702481      7.358514      2.476110
  C      -5.425338      5.883528      2.615546
  O      -5.990506      5.098886      1.832127
  N      -4.528284      5.555289      3.606276
  C      -4.124307      4.291920      3.605221
  C      -6.096183      7.825130      1.217594
  C     -12.763524      0.260522      1.283176
  C     -11.848116     -0.125305      2.426552
  O     -12.012311     -1.182906      3.028815
  C     -10.740047      0.806349      2.793329
  C     -10.508914      2.009890      2.102401
  C      -9.459510      2.843666      2.469108
  C      -8.629408      2.463681      3.520745
  F      -7.652357      3.321583      3.870655
  C      -8.808717      1.263373      4.226863
  C      -7.922880      0.818172      5.360005
  O      -8.385604      0.126024      6.274287
  N      -6.608983      1.214779      5.225451
  C      -5.944457      1.449442      6.330514
  C      -9.891461      0.462032      3.853876
  H      -6.686293      3.814863     -0.330471
  H      -5.187656      3.960769     -1.289841
  H      -6.348989      2.625766     -1.612037
  H      -7.725463      1.360053     -0.329629
  H      -8.765281     -0.565473      0.859140
  H      -3.030301     -1.819143      5.326865
  H      -4.271727      0.977136      2.192659
  H      -7.934619     11.363896     -0.038514
  H      -6.239948     11.678047     -0.442933
  H      -7.374277     11.156879     -1.729469
  H      -6.496346     11.151399      1.861323
  H      -5.846980     10.354810      4.132523
  H      -4.450930      3.596151      2.815981
  H      -6.186177      7.103145      0.405193
  H     -13.513601     -0.525627      1.146840
  H     -12.194441      0.389894      0.349837
  H     -13.267470      1.217290      1.488681
  H     -11.154569      2.305998      1.275676
  H      -9.268417      3.789260      1.961645
  H      -6.480831      1.486315      7.296750
  H     -10.064254     -0.467364      4.397780
  N      -2.097893      1.895201      2.783041
  H      -1.657456      1.000352      2.551666
  H      -1.354781      2.597318      2.823228
  H      -2.685051      2.156137      1.970810
90
Coordinates from ORCA-job orca E -6670.655204831106
  N      -2.057970      0.106377      5.169548
  Mo     -3.270477      1.718231      4.781203
  N      -4.613762      1.740581      6.371568
  C      -4.153355      2.357093      7.623274
  C      -2.660658      2.147121      7.745485
  N      -1.965252      2.409312      6.439588
  C      -0.700641      1.600438      6.395449
  C      -1.021257      0.119960      6.178944
  C      -1.649392      3.863566      6.238125
  C      -2.814047      4.601135      5.600812
  N      -3.315411      3.747577      4.525205
  H      -0.108071     -0.396842      5.839807
  H      -1.353794     -0.375091      7.106534
  H      -0.123753      1.967701      5.536630
  H      -0.104687      1.758511      7.310754
  H      -3.615149      4.826869      6.320957
  H      -2.479374      5.569809      5.197626
  H      -1.348926      4.320169      7.195291
  H      -0.788708      3.907396      5.557193
  H      -4.650525      1.906717      8.499434
  H      -4.404926      3.430769      7.635883
  H      -2.474673      1.097402      8.007404
  H      -2.214561      2.776848      8.532351
  C      -5.868826      3.149036     -0.851528
  C      -5.150385      2.327918      0.181821
  O      -3.966872      2.555709      0.459465
  C      -5.890572      1.235479      0.875848
  C      -7.181592      0.807220      0.520255
  C      -7.776364     -0.251555      1.198740
  C      -7.098365     -0.870346      2.249276
  F      -7.724359     -1.868068      2.894158
  C      -5.820073     -0.455094      2.657814
  C      -5.030786     -1.104027      3.749825
  O      -5.232799     -2.247808      4.151862
  N      -3.971899     -0.305148      4.192551
  C      -2.975216     -0.827907      4.927402
  C      -5.250691      0.589644      1.933308
  C      -7.254500     10.974973     -0.632060
  C      -6.875855      9.527819     -0.396841
  O      -6.896685      8.718175     -1.321019
  C      -6.479881      9.112603      0.982129
  C      -6.425283     10.017583      2.056372
  C      -6.053702      9.577001      3.321630
  C      -5.723390      8.236051      3.511966
  F      -5.400529      7.868628      4.770547
  C      -5.757290      7.295109      2.468566
  C      -5.431276      5.828360      2.584982
  O      -5.957109      5.041148      1.777837
  N      -4.538679      5.512207      3.584286
  C      -4.118270      4.254415      3.587947
  C      -6.155466      7.770630      1.214725
  C     -12.708987      0.505663      1.195186
  C     -11.820159      0.078215      2.344727
  O     -12.025794     -0.979977      2.933249
  C     -10.688699      0.970507      2.736497
  C     -10.407323      2.168940      2.056022
  C      -9.339882      2.968584      2.445516
  C      -8.542884      2.558842      3.510975
  F      -7.552691      3.389194      3.888292
  C      -8.768667      1.357208      4.204229
  C      -7.910105      0.876244      5.345158
  O      -8.402619      0.194289      6.250737
  N      -6.584996      1.238758      5.226505
  C      -5.926479      1.460445      6.337617
  C      -9.869271      0.592359      3.808061
  H      -6.653291      3.737391     -0.351714
  H      -5.163239      3.836265     -1.329370
  H      -6.349786      2.513320     -1.609064
  H      -7.728902      1.293474     -0.287201
  H      -8.777380     -0.598503      0.945871
  H      -2.990861     -1.838826      5.357527
  H      -4.249050      0.908667      2.198128
  H      -8.105370     11.266024      0.002508
  H      -6.418447     11.644463     -0.378411
  H      -7.521586     11.108098     -1.685728
  H      -6.677711     11.068527      1.913677
  H      -6.020372     10.253845      4.176043
  H      -4.432188      3.551035      2.798245
  H      -6.211870      7.060343      0.389103
  H     -13.483755     -0.253083      1.042690
  H     -12.124901      0.623332      0.269605
  H     -13.182018      1.477431      1.403194
  H     -11.028504      2.489388      1.219435
  H      -9.110691      3.910150      1.946318
  H      -6.468150      1.504220      7.300564
  H     -10.079823     -0.335096      4.342320
  N      -2.081215      1.854336      2.790146
  H      -1.633749      0.958292      2.578217
  H      -1.343593      2.562605      2.821483
  H      -2.665751      2.096716      1.970587
90
Coordinates from ORCA-job orca E -6670.655314297203
  N      -2.036521      0.100433      5.175345
  Mo     -3.260470      1.703705      4.787220
  N      -4.598185      1.730973      6.382447
  C      -4.133470      2.336511      7.638157
  C      -2.640038      2.129057      7.748770
  N      -1.954785      2.404412      6.440621
  C      -0.681035      1.608707      6.385888
  C      -0.988509      0.125112      6.172474
  C      -1.657844      3.863598      6.243065
  C      -2.828688      4.586476      5.598650
  N      -3.312066      3.728627      4.519227
  H      -0.074226     -0.382775      5.822955
  H      -1.305204     -0.372642      7.104069
  H      -0.116433      1.982997      5.521958
  H      -0.079382      1.773683      7.296079
  H      -3.636739      4.803586      6.313362
  H      -2.502441      5.559626      5.198858
  H      -1.372128      4.323177      7.203111
  H      -0.792405      3.920698      5.569161
  H      -4.625478      1.875000      8.511205
  H      -4.385240      3.409953      7.661860
  H      -2.448945      1.077889      8.000867
  H      -2.190572      2.753574      8.537923
  C      -5.838912      3.059838     -0.875632
  C      -5.124566      2.250997      0.170269
  O      -3.941041      2.480118      0.446335
  C      -5.868449      1.169995      0.878731
  C      -7.164493      0.746249      0.534463
  C      -7.764821     -0.297736      1.231405
  C      -7.087829     -0.905613      2.289001
  F      -7.721515     -1.884070      2.955202
  C      -5.804200     -0.495289      2.685056
  C      -5.017177     -1.128228      3.788001
  O      -5.220000     -2.266136      4.206249
  N      -3.954560     -0.325965      4.213028
  C      -2.950476     -0.840030      4.944129
  C      -5.229012      0.533166      1.941398
  C      -7.364684     10.936291     -0.589414
  C      -6.957277      9.494076     -0.372925
  O      -6.955128      8.697743     -1.308816
  C      -6.559529      9.067670      1.002153
  C      -6.536814      9.956333      2.091237
  C      -6.162685      9.505349      3.351935
  C      -5.797285      8.170975      3.523756
  F      -5.472554      7.793012      4.778690
  C      -5.798237      7.246646      2.465463
  C      -5.431812      5.788124      2.559731
  O      -5.918414      5.003542      1.726736
  N      -4.549630      5.478280      3.571014
  C      -4.111457      4.226463      3.573931
  C      -6.200362      7.731637      1.216199
  C     -12.688178      0.685551      1.155138
  C     -11.814929      0.237629      2.308844
  O     -12.055943     -0.809227      2.904771
  C     -10.660222      1.098420      2.701765
  C     -10.335058      2.277526      2.007779
  C      -9.248144      3.050588      2.398588
  C      -8.478540      2.632956      3.480928
  F      -7.472515      3.441117      3.863622
  C      -8.746385      1.446097      4.185633
  C      -7.910903      0.955855      5.339893
  O      -8.430527      0.301933      6.250206
  N      -6.574117      1.278967      5.224942
  C      -5.917359      1.484100      6.340219
  C      -9.863915      0.709198      3.786921
  H      -6.614508      3.665550     -0.382466
  H      -5.127597      3.731404     -1.366925
  H      -6.329892      2.417188     -1.620583
  H      -7.711485      1.224988     -0.277661
  H      -8.769804     -0.639639      0.987929
  H      -2.958115     -1.849116      5.379010
  H      -4.223324      0.847151      2.197758
  H      -8.226583     11.199925      0.042321
  H      -6.544988     11.618977     -0.318643
  H      -7.626105     11.079616     -1.643156
  H      -6.816559     11.002201      1.963718
  H      -6.153442     10.168810      4.217204
  H      -4.407187      3.519487      2.780699
  H      -6.230479      7.031873      0.380382
  H     -13.487346     -0.048519      1.006780
  H     -12.098777      0.776590      0.229898
  H     -13.128669      1.674008      1.354723
  H     -10.935952      2.604271      1.158447
  H      -8.982838      3.976385      1.887623
  H      -6.463934      1.536617      7.300052
  H     -10.107954     -0.205499      4.329580
  N      -2.070915      1.833865      2.794431
  H      -1.612338      0.940447      2.596134
  H      -1.342683      2.551681      2.821145
  H      -2.654915      2.058296      1.969625
90
Coordinates from ORCA-job orca E -6670.655426623092
  N      -2.027645      0.095667      5.180526
  Mo     -3.254496      1.696944      4.792867
  N      -4.585906      1.732197      6.392620
  C      -4.113729      2.329470      7.650370
  C      -2.619825      2.119124      7.749964
  N      -1.942160      2.401185      6.438775
  C      -0.665405      1.610536      6.376180
  C      -0.969616      0.125068      6.166729
  C      -1.653929      3.862887      6.241388
  C      -2.828639      4.578931      5.594885
  N      -3.305037      3.718093      4.515108
  H      -0.057441     -0.380788      5.808944
  H      -1.275033     -0.372916      7.102052
  H      -0.108844      1.986081      5.507586
  H      -0.058333      1.779623      7.281967
  H      -3.639360      4.789954      6.308109
  H      -2.507490      5.554363      5.196440
  H      -1.372531      4.323488      7.202128
  H      -0.788232      3.925161      5.568307
  H      -4.602057      1.863043      8.522700
  H      -4.362543      3.403221      7.681934
  H      -2.428510      1.066020      7.993851
  H      -2.164867      2.738179      8.540337
  C      -5.859496      2.989739     -0.884898
  C      -5.141721      2.195712      0.169901
  O      -3.957658      2.428965      0.439350
  C      -5.883894      1.124547      0.895240
  C      -7.185246      0.703057      0.567291
  C      -7.783327     -0.331132      1.280412
  C      -7.100506     -0.928990      2.339693
  F      -7.732024     -1.899043      3.020647
  C      -5.811730     -0.520199      2.719649
  C      -5.017685     -1.143424      3.822708
  O      -5.224008     -2.274344      4.258278
  N      -3.951843     -0.337980      4.233508
  C      -2.942678     -0.846827      4.960711
  C      -5.237723      0.496287      1.958671
  C      -7.435528     10.913078     -0.559282
  C      -7.010323      9.474110     -0.355953
  O      -7.000515      8.685820     -1.298536
  C      -6.607220      9.040379      1.015223
  C      -6.601210      9.918132      2.113596
  C      -6.221766      9.460494      3.370121
  C      -5.833799      8.130818      3.529088
  F      -5.504762      7.746469      4.780848
  C      -5.817291      7.217245      2.461335
  C      -5.423954      5.764461      2.540298
  O      -5.883452      4.981369      1.690126
  N      -4.551754      5.457951      3.561632
  C      -4.105084      4.209104      3.565918
  C      -6.225943      7.708505      1.216375
  C     -12.627144      0.783021      1.083511
  C     -11.760812      0.317126      2.235572
  O     -11.998519     -0.744123      2.806680
  C     -10.615403      1.178337      2.656118
  C     -10.286419      2.368463      1.983577
  C      -9.208418      3.141436      2.401069
  C      -8.452423      2.711172      3.488555
  F      -7.457622      3.518924      3.900626
  C      -8.724685      1.513481      4.171837
  C      -7.903230      1.011836      5.331634
  O      -8.436435      0.358999      6.234777
  N      -6.561801      1.317599      5.224435
  C      -5.908178      1.507608      6.344875
  C      -9.832204      0.777527      3.746879
  H      -6.630402      3.604972     -0.396217
  H      -5.148868      3.651577     -1.390397
  H      -6.357325      2.338057     -1.617188
  H      -7.736778      1.174346     -0.246100
  H      -8.790622     -0.674209      1.047516
  H      -2.945299     -1.853871      5.400493
  H      -4.227151      0.806406      2.201163
  H      -8.300560     11.160227      0.074741
  H      -6.624329     11.603407     -0.282182
  H      -7.698730     11.062653     -1.611717
  H      -6.898385     10.960457      1.996577
  H      -6.225169     10.115142      4.242194
  H      -4.394028      3.498389      2.773146
  H      -6.242406      7.016224      0.374218
  H     -13.421727      0.048612      0.914998
  H     -12.030672      0.893855      0.165013
  H     -13.072956      1.765871      1.298355
  H     -10.876424      2.703634      1.130258
  H      -8.938728      4.075869      1.907149
  H      -6.459571      1.566274      7.301646
  H     -10.079604     -0.146240      4.272100
  N      -2.072327      1.814489      2.793358
  H      -1.604966      0.923487      2.605068
  H      -1.352127      2.540542      2.810507
  H      -2.660632      2.021675      1.967309
90
Coordinates from ORCA-job orca E -6670.655491168030
  N      -2.024988      0.091534      5.186754
  Mo     -3.249026      1.694516      4.794192
  N      -4.577543      1.743614      6.395899
  C      -4.098226      2.328603      7.657646
  C      -2.605155      2.109905      7.747741
  N      -1.931278      2.397190      6.435398
  C      -0.653388      1.609416      6.368380
  C      -0.956937      0.122802      6.161485
  C      -1.648375      3.860712      6.239051
  C      -2.822472      4.573066      5.586035
  N      -3.290649      3.710513      4.504482
  H      -0.048068     -0.382711      5.795046
  H      -1.251429     -0.375871      7.099988
  H      -0.101727      1.985018      5.496789
  H      -0.043123      1.781426      7.271288
  H      -3.638563      4.779301      6.294524
  H      -2.502215      5.549920      5.190619
  H      -1.373329      4.321165      7.201528
  H      -0.780258      3.926026      5.569377
  H      -4.585584      1.856662      8.527363
  H      -4.340961      3.403220      7.699251
  H      -2.418358      1.053914      7.981808
  H      -2.143780      2.720696      8.540825
  C      -5.869347      2.932835     -0.890203
  C      -5.147130      2.138725      0.161443
  O      -3.960544      2.367667      0.421792
  C      -5.892829      1.081524      0.903954
  C      -7.202471      0.670486      0.594622
  C      -7.802350     -0.351774      1.323487
  C      -7.114968     -0.945245      2.382040
  F      -7.748143     -1.904243      3.077304
  C      -5.820958     -0.541738      2.747920
  C      -5.025526     -1.152737      3.856650
  O      -5.232822     -2.278276      4.305788
  N      -3.955603     -0.345995      4.253091
  C      -2.943283     -0.851469      4.977518
  C      -5.242843      0.458797      1.968409
  C      -7.486145     10.909373     -0.519479
  C      -7.050163      9.471296     -0.332822
  O      -7.032246      8.694594     -1.284764
  C      -6.642436      9.025484      1.033063
  C      -6.654976      9.887646      2.143845
  C      -6.272118      9.418826      3.395021
  C      -5.861245      8.094089      3.537106
  F      -5.530283      7.699634      4.785012
  C      -5.824102      7.196095      2.456178
  C      -5.401547      5.750245      2.513452
  O      -5.826508      4.974942      1.638306
  N      -4.545654      5.441600      3.548499
  C      -4.090884      4.195511      3.551515
  C      -6.237770      7.698133      1.216900
  C     -12.584575      0.824501      1.033408
  C     -11.717530      0.358892      2.185007
  O     -11.939787     -0.713772      2.741158
  C     -10.586454      1.231192      2.620137
  C     -10.258253      2.422708      1.949677
  C      -9.191238      3.204789      2.380294
  C      -8.447697      2.781746      3.479439
  F      -7.467049      3.597896      3.909944
  C      -8.718498      1.582965      4.159100
  C      -7.905100      1.090976      5.327478
  O      -8.449343      0.458383      6.238448
  N      -6.558386      1.376742      5.217617
  C      -5.904062      1.551920      6.341055
  C      -9.813365      0.837620      3.721367
  H      -6.628141      3.558640     -0.395719
  H      -5.158263      3.584475     -1.408242
  H      -6.383162      2.282385     -1.612295
  H      -7.757566      1.138716     -0.218108
  H      -8.814092     -0.690817      1.102896
  H      -2.943060     -1.857151      5.420502
  H      -4.226340      0.759797      2.196859
  H      -8.354743     11.141489      0.115232
  H      -6.681292     11.602675     -0.231472
  H      -7.747934     11.069869     -1.570668
  H      -6.969966     10.926216      2.040811
  H      -6.290267     10.060903      4.276229
  H      -4.372622      3.482660      2.758806
  H      -6.237777      7.016600      0.365764
  H     -13.370744      0.083102      0.855919
  H     -11.985286      0.948853      0.118389
  H     -13.040560      1.801135      1.255037
  H     -10.838455      2.751069      1.086888
  H      -8.918471      4.138542      1.887321
  H      -6.459623      1.620458      7.294785
  H     -10.059227     -0.089094      4.242042
  N      -2.066241      1.793648      2.791881
  H      -1.591852      0.904252      2.614169
  H      -1.352575      2.526102      2.801685
  H      -2.656922      1.985340      1.963916
90
Coordinates from ORCA-job orca E -6670.655528255623
  N      -2.015301      0.090083      5.187734
  Mo     -3.246598      1.688758      4.798470
  N      -4.569123      1.739439      6.404662
  C      -4.082715      2.316699      7.668002
  C      -2.588192      2.100358      7.747174
  N      -1.923643      2.396228      6.431675
  C      -0.641932      1.617100      6.355970
  C      -0.937315      0.128037      6.151297
  C      -1.650729      3.862161      6.235621
  C      -2.829536      4.567985      5.583792
  N      -3.292514      3.702677      4.501421
  H      -0.028612     -0.370607      5.775163
  H      -1.217672     -0.374009      7.092415
  H      -0.098650      1.996059      5.480696
  H      -0.026009      1.792712      7.254546
  H      -3.647416      4.765515      6.293099
  H      -2.516727      5.547629      5.189732
  H      -1.376197      4.323522      7.197893
  H      -0.784487      3.933177      5.564136
  H      -4.563624      1.838477      8.537900
  H      -4.327555      3.390334      7.719769
  H      -2.398442      1.043272      7.973671
  H      -2.122359      2.707402      8.540502
  C      -5.887212      2.886301     -0.876791
  C      -5.159349      2.097917      0.174857
  O      -3.972895      2.331451      0.432015
  C      -5.900466      1.040999      0.921496
  C      -7.207328      0.622196      0.612561
  C      -7.804287     -0.396355      1.347953
  C      -7.117684     -0.977371      2.413976
  F      -7.751250     -1.929740      3.118488
  C      -5.824889     -0.568075      2.777473
  C      -5.025426     -1.170401      3.888282
  O      -5.231264     -2.290545      4.350596
  N      -3.954014     -0.358125      4.273118
  C      -2.934534     -0.856742      4.992188
  C      -5.248885      0.427795      1.990685
  C      -7.537676     10.887614     -0.500760
  C      -7.091695      9.451865     -0.319123
  O      -7.075226      8.676920     -1.272499
  C      -6.678430      9.004585      1.044627
  C      -6.695264      9.863258      2.157928
  C      -6.307558      9.393248      3.407162
  C      -5.887676      8.070800      3.544792
  F      -5.554787      7.675657      4.791801
  C      -5.845427      7.175917      2.460613
  C      -5.413793      5.732046      2.512777
  O      -5.829842      4.956275      1.632968
  N      -4.558614      5.425402      3.548102
  C      -4.096843      4.182149      3.549265
  C      -6.264345      7.679451      1.223638
  C     -12.544035      0.910544      0.984138
  C     -11.684003      0.433354      2.136327
  O     -11.907896     -0.645673      2.679082
  C     -10.554157      1.301044      2.584638
  C     -10.213135      2.492777      1.921017
  C      -9.144259      3.266094      2.362232
  C      -8.410806      2.834214      3.464997
  F      -7.427621      3.642351      3.906613
  C      -8.695630      1.636983      4.139493
  C      -7.896568      1.134588      5.312933
  O      -8.454740      0.505124      6.218764
  N      -6.546789      1.404847      5.214840
  C      -5.896305      1.561016      6.344972
  C      -9.792099      0.899546      3.690882
  H      -6.648009      3.509191     -0.381792
  H      -5.181146      3.540449     -1.398623
  H      -6.399879      2.231135     -1.595433
  H      -7.763331      1.082614     -0.203953
  H      -8.812787     -0.743796      1.126653
  H      -2.927952     -1.860253      5.439932
  H      -4.233392      0.732350      2.216344
  H      -8.405205     11.112090      0.138125
  H      -6.736381     11.585806     -0.214361
  H      -7.804843     11.048932     -1.550481
  H      -7.017291     10.900117      2.058547
  H      -6.329451     10.032547      4.290429
  H      -4.374797      3.468069      2.756813
  H      -6.260807      7.001385      0.369785
  H     -13.331649      0.173078      0.797784
  H     -11.940378      1.039594      0.072672
  H     -12.997554      1.887203      1.211163
  H     -10.785185      2.827676      1.055854
  H      -8.863805      4.201437      1.877205
  H      -6.455590      1.633461      7.296062
  H     -10.048496     -0.026811      4.206599
  N      -2.077232      1.779740      2.788562
  H      -1.591956      0.895110      2.616498
  H      -1.373382      2.521853      2.786404
  H      -2.676301      1.955795      1.962621
90
Coordinates from ORCA-job orca E -6670.655570486089
  N      -2.011067      0.081895      5.198775
  Mo     -3.239312      1.681752      4.798686
  N      -4.561945      1.744586      6.404967
  C      -4.073818      2.318080      7.668565
  C      -2.579701      2.098798      7.745601
  N      -1.915804      2.392430      6.429362
  C      -0.633951      1.614231      6.355249
  C      -0.928263      0.124006      6.156307
  C      -1.644146      3.858291      6.231175
  C      -2.821717      4.562151      5.575184
  N      -3.281377      3.694652      4.493028
  H      -0.020617     -0.373911      5.776563
  H      -1.202021     -0.376494      7.100206
  H      -0.091424      1.990054      5.478129
  H      -0.016831      1.793209      7.252431
  H      -3.642239      4.758836      6.281872
  H      -2.508846      5.541553      5.180805
  H      -1.371869      4.321368      7.193244
  H      -0.776343      3.928911      5.561575
  H      -4.554224      1.838588      8.538177
  H      -4.317568      3.392019      7.724079
  H      -2.391817      1.041494      7.972177
  H      -2.111688      2.705435      8.537934
  C      -5.877846      2.845722     -0.880363
  C      -5.152250      2.062884      0.177127
  O      -3.963685      2.290736      0.429462
  C      -5.897011      1.013902      0.931624
  C      -7.206557      0.598962      0.628883
  C      -7.806240     -0.411367      1.373375
  C      -7.119311     -0.988670      2.441435
  F      -7.755975     -1.931654      3.155469
  C      -5.823322     -0.583929      2.797718
  C      -5.022609     -1.181859      3.909981
  O      -5.230527     -2.298443      4.380153
  N      -3.949277     -0.369536      4.288244
  C      -2.928730     -0.865930      5.006931
  C      -5.245229      0.404245      2.002715
  C      -7.605262     10.857092     -0.480754
  C      -7.138323      9.426910     -0.307931
  O      -7.105201      8.659807     -1.267221
  C      -6.721127      8.976474      1.053618
  C      -6.756862      9.825747      2.173502
  C      -6.365579      9.352452      3.420472
  C      -5.923729      8.036324      3.549488
  F      -5.588616      7.637634      4.794707
  C      -5.861619      7.151192      2.458240
  C      -5.406833      5.714335      2.500656
  O      -5.802151      4.940847      1.609660
  N      -4.555348      5.411322      3.539892
  C      -4.089063      4.169930      3.541524
  C      -6.284182      7.657521      1.223773
  C     -12.523826      1.004517      0.954288
  C     -11.662153      0.506695      2.096351
  O     -11.886464     -0.580987      2.621685
  C     -10.531697      1.365921      2.558293
  C     -10.181148      2.560943      1.905453
  C      -9.110695      3.325391      2.357601
  C      -8.386119      2.882098      3.461339
  F      -7.402919      3.682799      3.916631
  C      -8.679580      1.680723      4.125034
  C      -7.887670      1.165975      5.298047
  O      -8.453063      0.536836      6.199877
  N      -6.536400      1.429202      5.206303
  C      -5.889638      1.577088      6.340324
  C      -9.777147      0.951760      3.664982
  H      -6.636252      3.474652     -0.389231
  H      -5.170299      3.493625     -1.407713
  H      -6.393407      2.186527     -1.593308
  H      -7.763179      1.057327     -0.188299
  H      -8.817108     -0.755632      1.158229
  H      -2.919827     -1.869648      5.454151
  H      -4.227480      0.705710      2.222328
  H      -8.479206     11.063111      0.155663
  H      -6.816249     11.565309     -0.185167
  H      -7.870209     11.022383     -1.530422
  H      -7.096366     10.857655      2.081174
  H      -6.401745      9.984242      4.308608
  H      -4.366336      3.454238      2.750170
  H      -6.265295      6.987119      0.363965
  H     -13.315776      0.273789      0.759867
  H     -11.922608      1.143306      0.042677
  H     -12.971119      1.980232      1.196858
  H     -10.747054      2.905736      1.040111
  H      -8.822958      4.263310      1.881638
  H      -6.452475      1.650361      7.289217
  H     -10.040871      0.022374      4.171710
  N      -2.063877      1.756733      2.793025
  H      -1.578525      0.870755      2.628522
  H      -1.359751      2.498661      2.786572
  H      -2.661300      1.927662      1.964843
90
Coordinates from ORCA-job orca E -6670.655637976170
  N      -2.010519      0.065038      5.220619
  Mo     -3.229893      1.669011      4.800762
  N      -4.550361      1.757374      6.408839
  C      -4.057218      2.323231      7.672147
  C      -2.564430      2.095578      7.743778
  N      -1.902776      2.383045      6.425078
  C      -0.622160      1.604072      6.353766
  C      -0.917451      0.112440      6.165548
  C      -1.630434      3.848111      6.222942
  C      -2.804721      4.549964      5.559349
  N      -3.259898      3.679093      4.477464
  H      -0.013068     -0.384726      5.776827
  H      -1.178005     -0.385706      7.114378
  H      -0.080052      1.973175      5.473494
  H      -0.002431      1.787747      7.248352
  H      -3.629852      4.746635      6.260816
  H      -2.490268      5.528330      5.164003
  H      -1.361951      4.314319      7.184514
  H      -0.759204      3.917070      5.557451
  H      -4.536352      1.841994      8.541864
  H      -4.297077      3.398107      7.735068
  H      -2.381988      1.037615      7.971315
  H      -2.089766      2.700945      8.533044
  C      -5.886331      2.779106     -0.872390
  C      -5.157984      2.001118      0.187163
  O      -3.965396      2.219939      0.427709
  C      -5.905773      0.965015      0.956882
  C      -7.220382      0.556394      0.668055
  C      -7.822095     -0.441229      1.427893
  C      -7.131583     -1.012154      2.497432
  F      -7.769838     -1.940276      3.228430
  C      -5.830469     -0.612928      2.839904
  C      -5.027237     -1.200860      3.955670
  O      -5.237550     -2.311453      4.439307
  N      -3.950227     -0.388800      4.321995
  C      -2.927901     -0.882331      5.039310
  C      -5.250770      0.362255      2.030010
  C      -7.757456     10.795486     -0.432690
  C      -7.250556      9.376943     -0.277028
  O      -7.218982      8.614977     -1.240516
  C      -6.798767      8.929451      1.074481
  C      -6.836031      9.771150      2.199669
  C      -6.413312      9.299800      3.437209
  C      -5.940168      7.993313      3.551711
  F      -5.574771      7.597031      4.789066
  C      -5.875133      7.116156      2.454197
  C      -5.391731      5.688627      2.482077
  O      -5.771192      4.917514      1.582839
  N      -4.537427      5.390178      3.520036
  C      -4.070451      4.149129      3.525962
  C      -6.327944      7.620338      1.229763
  C     -12.453348      1.150645      0.868944
  C     -11.593374      0.623376      1.998792
  O     -11.813731     -0.481064      2.490675
  C     -10.473172      1.475661      2.494631
  C     -10.106426      2.676250      1.860742
  C      -9.041865      3.432038      2.339533
  C      -8.341525      2.976483      3.453072
  F      -7.366480      3.769509      3.938301
  C      -8.649606      1.768204      4.098469
  C      -7.874623      1.234832      5.274578
  O      -8.455448      0.608719      6.169006
  N      -6.520078      1.482488      5.195832
  C      -5.879550      1.613511      6.336288
  C      -9.740880      1.047378      3.610632
  H      -6.642423      3.411630     -0.382377
  H      -5.180606      3.422996     -1.406644
  H      -6.405095      2.114906     -1.578533
  H      -7.780254      1.011485     -0.148727
  H      -8.838099     -0.778559      1.226254
  H      -2.914349     -1.885406      5.487767
  H      -4.229273      0.659677      2.238520
  H      -8.624355     10.974879      0.221302
  H      -6.981658     11.522233     -0.147662
  H      -8.046915     10.959577     -1.476053
  H      -7.200574     10.795429      2.119132
  H      -6.448988      9.925615      4.329492
  H      -4.352614      3.429085      2.739579
  H      -6.307543      6.956841      0.364604
  H     -13.245457      0.425670      0.654332
  H     -11.851324      1.312043     -0.038349
  H     -12.899412      2.120300      1.136204
  H     -10.654251      3.032138      0.988092
  H      -8.740832      4.372945      1.877800
  H      -6.447544      1.688398      7.281886
  H     -10.015935      0.112290      4.100884
  N      -2.051087      1.712079      2.798863
  H      -1.565987      0.824135      2.645008
  H      -1.346515      2.453616      2.782428
  H      -2.648315      1.874697      1.969008
90
Coordinates from ORCA-job orca E -6670.655711826178
  N      -2.009801      0.059455      5.228803
  Mo     -3.224900      1.666613      4.800995
  N      -4.545314      1.764545      6.410735
  C      -4.049914      2.318169      7.676938
  C      -2.557904      2.085922      7.743671
  N      -1.897522      2.376486      6.424779
  C      -0.616374      1.599734      6.353273
  C      -0.909149      0.107799      6.164549
  C      -1.626367      3.842428      6.227218
  C      -2.798954      4.543697      5.560700
  N      -3.245490      3.675941      4.471843
  H      -0.006053     -0.383434      5.765095
  H      -1.157868     -0.395643      7.113661
  H      -0.073583      1.969277      5.473505
  H       0.003686      1.782958      7.247792
  H      -3.629611      4.732225      6.257505
  H      -2.485996      5.524933      5.171619
  H      -1.361886      4.306538      7.190806
  H      -0.752364      3.914900      5.565612
  H      -4.527132      1.829854      8.544131
  H      -4.288965      3.392724      7.752000
  H      -2.378461      1.026336      7.966161
  H      -2.078980      2.686546      8.533933
  C      -5.926746      2.750423     -0.850569
  C      -5.188081      1.973640      0.202980
  O      -3.993819      2.193011      0.433949
  C      -5.928188      0.935412      0.978028
  C      -7.241071      0.517603      0.694610
  C      -7.834886     -0.480858      1.459970
  C      -7.138050     -1.042705      2.530323
  F      -7.768148     -1.970132      3.268509
  C      -5.838242     -0.634273      2.867000
  C      -5.029604     -1.212306      3.983657
  O      -5.234027     -2.321725      4.472904
  N      -3.954154     -0.395763      4.343237
  C      -2.928514     -0.887491      5.056413
  C      -5.266342      0.341094      2.051755
  C      -7.844432     10.755650     -0.417857
  C      -7.319258      9.343461     -0.264516
  O      -7.294534      8.577651     -1.225204
  C      -6.831874      8.910156      1.079229
  C      -6.852122      9.759104      2.199198
  C      -6.398626      9.299412      3.430352
  C      -5.913134      7.997414      3.543667
  F      -5.517381      7.613388      4.775490
  C      -5.864678      7.113394      2.450873
  C      -5.375950      5.688069      2.478636
  O      -5.761028      4.914762      1.584224
  N      -4.516093      5.391158      3.512059
  C      -4.053053      4.148589      3.519495
  C      -6.346059      7.606292      1.233022
  C     -12.398745      1.223942      0.805435
  C     -11.528705      0.671122      1.914968
  O     -11.725586     -0.457016      2.362073
  C     -10.431135      1.527611      2.449917
  C     -10.067690      2.744542      1.845252
  C      -9.018661      3.501530      2.354553
  C      -8.332650      3.032574      3.470723
  F      -7.374705      3.825348      3.988309
  C      -8.636655      1.808533      4.088215
  C      -7.866733      1.258813      5.260088
  O      -8.449793      0.617205      6.142081
  N      -6.512498      1.511647      5.190273
  C      -5.874719      1.627638      6.334254
  C      -9.712451      1.085604      3.569429
  H      -6.691331      3.370101     -0.357167
  H      -5.230218      3.406444     -1.381796
  H      -6.436785      2.082511     -1.559802
  H      -7.806278      0.966744     -0.121856
  H      -8.850643     -0.823338      1.265056
  H      -2.911687     -1.890490      5.504956
  H      -4.246130      0.646894      2.256203
  H      -8.700264     10.928353      0.252310
  H      -7.071448     11.492359     -0.151670
  H      -8.156490     10.910976     -1.456011
  H      -7.227068     10.779644      2.119872
  H      -6.419822      9.930952      4.318966
  H      -4.339175      3.430143      2.732821
  H      -6.339370      6.938360      0.370946
  H     -13.179204      0.494247      0.565284
  H     -11.801138      1.426851     -0.096395
  H     -12.859489      2.176266      1.107395
  H     -10.604784      3.111451      0.970212
  H      -8.718753      4.453020      1.914128
  H      -6.444794      1.691786      7.279364
  H      -9.984047      0.137629      4.036373
  N      -2.052185      1.693818      2.797914
  H      -1.564971      0.807004      2.644604
  H      -1.349741      2.437307      2.773583
  H      -2.653307      1.852528      1.970250
90
Coordinates from ORCA-job orca E -6670.655810700115
  N      -2.001031      0.054838      5.233640
  Mo     -3.220741      1.659495      4.802696
  N      -4.536912      1.761944      6.417048
  C      -4.037290      2.304012      7.686110
  C      -2.544817      2.071716      7.743855
  N      -1.891337      2.370697      6.423172
  C      -0.605784      1.601738      6.345928
  C      -0.891131      0.108584      6.157857
  C      -1.628457      3.838995      6.229364
  C      -2.803780      4.534343      5.562155
  N      -3.240605      3.667898      4.468131
  H       0.010984     -0.374665      5.746454
  H      -1.125313     -0.399412      7.108172
  H      -0.068928      1.975519      5.464353
  H       0.016912      1.787704      7.238038
  H      -3.638236      4.714433      6.256346
  H      -2.496383      5.519283      5.177799
  H      -1.369023      4.302965      7.194330
  H      -0.753359      3.918030      5.570054
  H      -4.510209      1.806837      8.550715
  H      -4.275780      3.377824      7.772838
  H      -2.363810      1.010840      7.958863
  H      -2.061228      2.667641      8.534840
  C      -5.966436      2.705289     -0.827736
  C      -5.216924      1.931637      0.220403
  O      -4.021627      2.155174      0.441774
  C      -5.947885      0.893442      1.004381
  C      -7.260093      0.467746      0.729809
  C      -7.845569     -0.529851      1.503176
  C      -7.140392     -1.082585      2.572810
  F      -7.761858     -2.009350      3.319028
  C      -5.840828     -0.665521      2.900931
  C      -5.024772     -1.233558      4.016946
  O      -5.221642     -2.340994      4.513644
  N      -3.951577     -0.409762      4.366254
  C      -2.918429     -0.895440      5.072750
  C      -5.277840      0.308574      2.078025
  C      -7.933802     10.708996     -0.402346
  C      -7.385679      9.305082     -0.253317
  O      -7.359436      8.538624     -1.213437
  C      -6.879044      8.880297      1.086010
  C      -6.897819      9.731044      2.204805
  C      -6.425905      9.278772      3.431725
  C      -5.924015      7.982683      3.542277
  F      -5.510741      7.606257      4.770617
  C      -5.877242      7.096976      2.450677
  C      -5.374875      5.676395      2.474852
  O      -5.755202      4.902332      1.578821
  N      -4.512372      5.382521      3.507169
  C      -4.046655      4.140877      3.514447
  C      -6.376521      7.582450      1.237077
  C     -12.336432      1.345054      0.738057
  C     -11.467481      0.764405      1.834127
  O     -11.655910     -0.380352      2.241850
  C     -10.379688      1.611006      2.401802
  C     -10.001369      2.833518      1.817995
  C      -8.956776      3.578776      2.352811
  C      -8.292912      3.093548      3.475440
  F      -7.341955      3.876347      4.020147
  C      -8.611430      1.863164      4.072656
  C      -7.857212      1.295425      5.246167
  O      -8.452747      0.649019      6.115889
  N      -6.500306      1.537746      5.188245
  C      -5.867074      1.636051      6.336545
  C      -9.681283      1.151425      3.527338
  H      -6.736929      3.315520     -0.331667
  H      -5.278069      3.370021     -1.358781
  H      -6.470612      2.033544     -1.537703
  H      -7.831393      0.909534     -0.086463
  H      -8.861771     -0.876664      1.316620
  H      -2.894622     -1.897777      5.522658
  H      -4.258339      0.621067      2.276222
  H      -8.785731     10.868213      0.276051
  H      -7.169856     11.457562     -0.143311
  H      -8.258010     10.859078     -1.437523
  H      -7.285551     10.746976      2.127893
  H      -6.444622      9.911710      4.319436
  H      -4.330833      3.423592      2.725835
  H      -6.370624      6.913200      0.375892
  H     -13.114338      0.620124      0.475993
  H     -11.737197      1.573008     -0.156769
  H     -12.799766      2.288124      1.063966
  H     -10.521321      3.212070      0.937488
  H      -8.642197      4.531030      1.925286
  H      -6.440080      1.694716      7.280199
  H      -9.963829      0.198611      3.977627
  N      -2.059769      1.677628      2.794040
  H      -1.567632      0.793502      2.640929
  H      -1.362597      2.425813      2.761017
  H      -2.667138      1.828382      1.969538
90
Coordinates from ORCA-job orca E -6670.655865058770
  N      -1.983886      0.065675      5.226015
  Mo     -3.221312      1.660324      4.801696
  N      -4.539479      1.739869      6.417977
  C      -4.044202      2.273906      7.693538
  C      -2.549393      2.052200      7.749624
  N      -1.898984      2.371039      6.431439
  C      -0.602935      1.616844      6.349488
  C      -0.873693      0.123732      6.149786
  C      -1.648192      3.843650      6.247843
  C      -2.828307      4.532177      5.584210
  N      -3.252853      3.672607      4.481094
  H       0.031897     -0.346958      5.731629
  H      -1.102971     -0.393944      7.095894
  H      -0.072126      2.006640      5.471500
  H       0.014648      1.804071      7.244516
  H      -3.665107      4.703662      6.277172
  H      -2.527977      5.523224      5.208500
  H      -1.396071      4.304973      7.216067
  H      -0.773070      3.932292      5.590402
  H      -4.515543      1.765395      8.551857
  H      -4.284235      3.346222      7.785705
  H      -2.359169      0.990648      7.953210
  H      -2.069078      2.643397      8.546244
  C      -6.021355      2.703295     -0.794618
  C      -5.254103      1.929017      0.239555
  O      -4.061863      2.172723      0.456646
  C      -5.962240      0.873571      1.020834
  C      -7.266594      0.424746      0.745766
  C      -7.833070     -0.589466      1.513277
  C      -7.112525     -1.139414      2.573227
  F      -7.711771     -2.090600      3.307794
  C      -5.820478     -0.697247      2.903755
  C      -4.993029     -1.261734      4.012079
  O      -5.166655     -2.378032      4.497028
  N      -3.936855     -0.418306      4.367465
  C      -2.893734     -0.893679      5.066725
  C      -5.279822      0.296492      2.090053
  C      -7.935689     10.695316     -0.438010
  C      -7.381224      9.295541     -0.275451
  O      -7.376716      8.510625     -1.220801
  C      -6.868285      8.887953      1.066755
  C      -6.864207      9.759180      2.170907
  C      -6.381178      9.323964      3.399218
  C      -5.890098      8.024922      3.526129
  F      -5.464037      7.665386      4.755188
  C      -5.868976      7.118260      2.451206
  C      -5.380870      5.692570      2.489879
  O      -5.780353      4.912138      1.606051
  N      -4.512915      5.398552      3.519266
  C      -4.048683      4.155928      3.523739
  C      -6.380185      7.586902      1.235412
  C     -12.335929      1.404737      0.729295
  C     -11.448332      0.791250      1.792381
  O     -11.605347     -0.378974      2.137577
  C     -10.371079      1.629052      2.390753
  C      -9.997212      2.867444      1.839756
  C      -8.956011      3.602260      2.396999
  C      -8.295619      3.089652      3.510959
  F      -7.348222      3.862328      4.075973
  C      -8.612184      1.844233      4.075663
  C      -7.858992      1.257723      5.241599
  O      -8.451791      0.584431      6.090686
  N      -6.502583      1.509978      5.190727
  C      -5.869652      1.597459      6.338358
  C      -9.674935      1.142761      3.507018
  H      -6.812918      3.283270     -0.295814
  H      -5.347102      3.395042     -1.309564
  H      -6.501674      2.031388     -1.521109
  H      -7.846764      0.860104     -0.067862
  H      -8.846894     -0.947529      1.329891
  H      -2.858435     -1.897267      5.513688
  H      -4.267704      0.628899      2.292871
  H      -8.778563     10.862270      0.249795
  H      -7.170247     11.449301     -0.199808
  H      -8.273290     10.829088     -1.471086
  H      -7.242301     10.777725      2.080930
  H      -6.380435      9.973102      4.275566
  H      -4.326166      3.446331      2.726067
  H      -6.391899      6.899361      0.388893
  H     -13.104518      0.679041      0.443009
  H     -11.747167      1.677074     -0.160383
  H     -12.810624      2.327169      1.095504
  H     -10.513562      3.261088      0.963928
  H      -8.634550      4.557371      1.982851
  H      -6.441822      1.638238      7.283529
  H      -9.955716      0.179228      3.934710
  N      -2.081681      1.702734      2.779858
  H      -1.581115      0.826055      2.610818
  H      -1.394219      2.459672      2.746432
  H      -2.700042      1.849744      1.962933
90
Coordinates from ORCA-job orca E -6670.656001257696
  N      -1.981445      0.057563      5.232196
  Mo     -3.221879      1.649837      4.806231
  N      -4.529415      1.743235      6.429863
  C      -4.024635      2.273838      7.702843
  C      -2.529432      2.048710      7.747016
  N      -1.889467      2.368143      6.423602
  C      -0.592018      1.618092      6.332687
  C      -0.859103      0.122524      6.140586
  C      -1.644889      3.841587      6.237322
  C      -2.828719      4.524483      5.574019
  N      -3.252201      3.660122      4.473768
  H       0.042764     -0.345829      5.711914
  H      -1.073166     -0.393838      7.090942
  H      -0.070438      2.006384      5.448584
  H       0.033229      1.810692      7.221373
  H      -3.665729      4.691808      6.268358
  H      -2.533638      5.516154      5.196324
  H      -1.392321      4.304814      7.204555
  H      -0.771346      3.933029      5.578073
  H      -4.491066      1.765384      8.563883
  H      -4.261756      3.346614      7.799589
  H      -2.339655      0.986634      7.947586
  H      -2.041656      2.638132      8.540341
  C      -6.061027      2.635859     -0.781387
  C      -5.285670      1.871034      0.253807
  O      -4.090653      2.112772      0.457067
  C      -5.990013      0.825182      1.050804
  C      -7.298000      0.378160      0.791952
  C      -7.860560     -0.625845      1.574729
  C      -7.132808     -1.166854      2.634478
  F      -7.730244     -2.105655      3.386263
  C      -5.836233     -0.726464      2.948557
  C      -4.999412     -1.280841      4.055395
  O      -5.171138     -2.391354      4.554533
  N      -3.940362     -0.434173      4.395496
  C      -2.890673     -0.903795      5.088419
  C      -5.299383      0.256215      2.119284
  C      -8.031572     10.653614     -0.399101
  C      -7.473172      9.254436     -0.244511
  O      -7.459675      8.477416     -1.196299
  C      -6.934921      8.849432      1.088601
  C      -6.925949      9.717353      2.195032
  C      -6.421380      9.284313      3.415384
  C      -5.913529      7.990788      3.531861
  F      -5.467563      7.633558      4.754401
  C      -5.894865      7.087600      2.453552
  C      -5.390680      5.666905      2.482923
  O      -5.781524      4.885625      1.596015
  N      -4.519636      5.377661      3.509953
  C      -4.051508      4.136852      3.516378
  C      -6.427563      7.554377      1.246044
  C     -12.230582      1.520665      0.630509
  C     -11.354461      0.890236      1.693181
  O     -11.508264     -0.287919      2.011523
  C     -10.294867      1.724225      2.328129
  C      -9.908377      2.969321      1.801456
  C      -8.880087      3.697308      2.391165
  C      -8.244091      3.170779      3.512549
  F      -7.310466      3.936727      4.109831
  C      -8.573548      1.918471      4.054217
  C      -7.844026      1.311022      5.225204
  O      -8.455841      0.637363      6.061156
  N      -6.485207      1.545513      5.192900
  C      -5.859896      1.617379      6.346800
  C      -9.624240      1.224777      3.453719
  H      -6.847879      3.220881     -0.281411
  H      -5.390869      3.321711     -1.309177
  H      -6.548602      1.957064     -1.496616
  H      -7.884503      0.808302     -0.019892
  H      -8.876312     -0.982951      1.403797
  H      -2.846978     -1.905140      5.539588
  H      -4.283965      0.586312      2.308062
  H      -8.871121     10.815602      0.293866
  H      -7.266972     11.408966     -0.162293
  H      -8.375238     10.790376     -1.429779
  H      -7.317726     10.731462      2.113456
  H      -6.417130      9.930652      4.293765
  H      -4.329306      3.422849      2.722697
  H      -6.442985      6.869797      0.397450
  H     -12.994165      0.798681      0.322744
  H     -11.632096      1.808506     -0.247629
  H     -12.710625      2.436289      1.006593
  H     -10.405631      3.374351      0.920016
  H      -8.550801      4.658942      1.998017
  H      -6.436158      1.663608      7.289149
  H      -9.913528      0.255379      3.861802
  N      -2.098688      1.673650      2.775977
  H      -1.592979      0.798496      2.614687
  H      -1.416850      2.434881      2.727761
  H      -2.724094      1.806264      1.961616
90
Coordinates from ORCA-job orca E -6670.656113858341
  N      -1.983291      0.053881      5.241428
  Mo     -3.217799      1.648776      4.807224
  N      -4.525600      1.759532      6.430295
  C      -4.017758      2.282806      7.704157
  C      -2.524253      2.047937      7.745310
  N      -1.883995      2.367279      6.422290
  C      -0.587444      1.617061      6.330704
  C      -0.854425      0.120357      6.141524
  C      -1.639975      3.841068      6.238117
  C      -2.820272      4.522766      5.566593
  N      -3.235344      3.656437      4.464222
  H       0.044821     -0.347815      5.707197
  H      -1.060495     -0.395965      7.093657
  H      -0.066836      2.002586      5.444733
  H       0.039794      1.811344      7.217700
  H      -3.663111      4.685483      6.255213
  H      -2.525090      5.515048      5.191486
  H      -1.393053      4.302926      7.207328
  H      -0.762700      3.934310      5.583855
  H      -4.486387      1.774745      8.564343
  H      -4.249451      3.356669      7.805883
  H      -2.341151      0.983935      7.941383
  H      -2.032286      2.631836      8.540073
  C      -6.084085      2.573196     -0.786768
  C      -5.304009      1.817167      0.251635
  O      -4.107212      2.056908      0.445675
  C      -6.006111      0.778243      1.059474
  C      -7.313639      0.326112      0.807751
  C      -7.874428     -0.666757      1.605490
  C      -7.145992     -1.191035      2.673280
  F      -7.743175     -2.116440      3.441466
  C      -5.848641     -0.747700      2.977981
  C      -5.008210     -1.286463      4.089908
  O      -5.178037     -2.391565      4.602009
  N      -3.946143     -0.438341      4.416842
  C      -2.894424     -0.905959      5.107713
  C      -5.312838      0.222610      2.133622
  C      -8.112513     10.631895     -0.348188
  C      -7.528743      9.241020     -0.212688
  O      -7.524944      8.468241     -1.168025
  C      -6.965781      8.834422      1.109754
  C      -6.955779      9.693778      2.222383
  C      -6.430719      9.258687      3.433407
  C      -5.904643      7.971291      3.534618
  F      -5.440683      7.612070      4.749756
  C      -5.884627      7.076975      2.448719
  C      -5.363808      5.662087      2.462926
  O      -5.741662      4.886235      1.566404
  N      -4.498401      5.370508      3.493084
  C      -4.029644      4.130126      3.500956
  C      -6.437065      7.546105      1.250953
  C     -12.178557      1.576595      0.573748
  C     -11.298426      0.941654      1.629936
  O     -11.437196     -0.243233      1.930295
  C     -10.256905      1.781421      2.286184
  C      -9.872977      3.033583      1.773784
  C      -8.858021      3.764980      2.381773
  C      -8.230903      3.234351      3.505499
  F      -7.307428      3.999615      4.119728
  C      -8.558385      1.976450      4.034492
  C      -7.836401      1.363193      5.206790
  O      -8.455084      0.690375      6.039086
  N      -6.476717      1.592262      5.181829
  C      -5.856396      1.654025      6.340066
  C      -9.597959      1.279950      3.417557
  H      -6.867595      3.163041     -0.287096
  H      -5.416742      3.253513     -1.324837
  H      -6.577166      1.888460     -1.492521
  H      -7.902294      0.746448     -0.007603
  H      -8.889939     -1.027280      1.441386
  H      -2.849119     -1.905203      5.563157
  H      -4.296699      0.554735      2.314827
  H      -8.942211     10.775828      0.360534
  H      -7.356319     11.398212     -0.120179
  H      -8.477037     10.769473     -1.371579
  H      -7.363243     10.702582      2.153352
  H      -6.425771      9.898173      4.316661
  H      -4.303496      3.414041      2.707670
  H      -6.453708      6.868035      0.397190
  H     -12.936674      0.852398      0.257540
  H     -11.581340      1.877037     -0.300988
  H     -12.664454      2.485166      0.958886
  H     -10.362991      3.442940      0.890040
  H      -8.533000      4.733971      2.002694
  H      -6.437286      1.703321      7.279399
  H      -9.885679      0.305596      3.815102
  N      -2.098027      1.650394      2.775758
  H      -1.588625      0.775509      2.625267
  H      -1.419447      2.413864      2.717314
  H      -2.724568      1.771191      1.960278
90
Coordinates from ORCA-job orca E -6670.656249264583
  N      -1.980215      0.056426      5.244020
  Mo     -3.214839      1.649449      4.805739
  N      -4.524486      1.769483      6.426480
  C      -4.016110      2.290387      7.701058
  C      -2.524073      2.048081      7.742993
  N      -1.881875      2.370485      6.422262
  C      -0.584340      1.622574      6.329750
  C      -0.848647      0.125224      6.140817
  C      -1.639577      3.844940      6.242161
  C      -2.816199      4.525322      5.562769
  N      -3.224245      3.656890      4.459813
  H       0.049840     -0.343012      5.705325
  H      -1.052443     -0.390315      7.093876
  H      -0.066090      2.008927      5.442789
  H       0.042934      1.819078      7.216158
  H      -3.663441      4.687140      6.246527
  H      -2.520121      5.517561      5.188903
  H      -1.399702      4.304581      7.214061
  H      -0.758533      3.940945      5.593304
  H      -4.489511      1.785988      8.560638
  H      -4.241289      3.365933      7.800740
  H      -2.345925      0.982358      7.933954
  H      -2.031038      2.626708      8.540901
  C      -6.111946      2.524825     -0.784372
  C      -5.322327      1.768515      0.247030
  O      -4.125358      2.012648      0.434202
  C      -6.016998      0.730145      1.061078
  C      -7.322022      0.268586      0.814923
  C      -7.879852     -0.714054      1.627292
  C      -7.149205     -1.220869      2.701759
  F      -7.743317     -2.136680      3.484221
  C      -5.851743     -0.772039      2.997475
  C      -5.004773     -1.296859      4.110930
  O      -5.167685     -2.399302      4.631286
  N      -3.944565     -0.442634      4.428600
  C      -2.888969     -0.905193      5.116947
  C      -5.319928      0.188901      2.140420
  C      -8.137910     10.634736     -0.315239
  C      -7.552419      9.243714     -0.188739
  O      -7.553551      8.475058     -1.147339
  C      -6.976763      8.833605      1.127176
  C      -6.965540      9.686502      2.244483
  C      -6.429044      9.248668      3.449447
  C      -5.893128      7.964553      3.540095
  F      -5.419314      7.603051      4.750688
  C      -5.872446      7.076819      2.448458
  C      -5.341537      5.665346      2.450237
  O      -5.711795      4.894271      1.546602
  N      -4.480004      5.370463      3.482044
  C      -4.010399      4.130699      3.489203
  C      -6.436392      7.549114      1.257065
  C     -12.147093      1.593493      0.533439
  C     -11.261099      0.961221      1.585576
  O     -11.378166     -0.230111      1.869766
  C     -10.240585      1.812246      2.259668
  C      -9.876750      3.078451      1.766997
  C      -8.878090      3.819134      2.390099
  C      -8.243194      3.282295      3.506271
  F      -7.325925      4.049408      4.128881
  C      -8.554600      2.014103      4.018790
  C      -7.831669      1.396725      5.187913
  O      -8.450687      0.717898      6.015472
  N      -6.472272      1.627905      5.168520
  C      -5.855577      1.680974      6.329631
  C      -9.581757      1.309317      3.390326
  H      -6.891680      3.113908     -0.277501
  H      -5.449172      3.205290     -1.327921
  H      -6.611859      1.841284     -1.486420
  H      -7.913757      0.678919     -0.003295
  H      -8.896976     -1.074710      1.471840
  H      -2.838257     -1.902460      5.576029
  H      -4.304332      0.525593      2.316428
  H      -8.963781     10.776066      0.398513
  H      -7.381028     11.400947     -0.089070
  H      -8.508420     10.775967     -1.335992
  H      -7.381350     10.692454      2.183976
  H      -6.423400      9.883027      4.336357
  H      -4.276914      3.414057      2.694069
  H      -6.452065      6.874816      0.400150
  H     -12.897899      0.863637      0.212373
  H     -11.551083      1.902603     -0.339281
  H     -12.640921      2.496200      0.921907
  H     -10.370722      3.492210      0.887115
  H      -8.570760      4.799975      2.027342
  H      -6.439868      1.732843      7.266668
  H      -9.858159      0.327453      3.777120
  N      -2.106487      1.640226      2.767493
  H      -1.590158      0.767839      2.626174
  H      -1.434758      2.408828      2.698643
  H      -2.736716      1.745311      1.952796
90
Coordinates from ORCA-job orca E -6670.656355020245
  N      -1.964361      0.056676      5.241044
  Mo     -3.210087      1.641900      4.804382
  N      -4.518011      1.761260      6.426203
  C      -4.008869      2.277636      7.702276
  C      -2.516366      2.036384      7.740562
  N      -1.877666      2.368964      6.420811
  C      -0.574628      1.631228      6.322014
  C      -0.827821      0.132876      6.131172
  C      -1.644845      3.845756      6.247455
  C      -2.822937      4.520521      5.565511
  N      -3.222068      3.652330      4.459468
  H       0.071515     -0.328261      5.690085
  H      -1.023277     -0.385271      7.084580
  H      -0.063838      2.024013      5.433561
  H       0.054329      1.831403      7.206363
  H      -3.673275      4.676790      6.246662
  H      -2.531559      5.515327      5.194801
  H      -1.412310      4.302832      7.222293
  H      -0.761796      3.950537      5.602786
  H      -4.481695      1.770270      8.560405
  H      -4.233064      3.353059      7.805141
  H      -2.336254      0.969619      7.924039
  H      -2.022915      2.610721      8.541350
  C      -6.152927      2.486209     -0.759035
  C      -5.350637      1.729546      0.262590
  O      -4.152837      1.978627      0.438544
  C      -6.033568      0.689443      1.083857
  C      -7.339819      0.223992      0.852824
  C      -7.889280     -0.754513      1.676572
  C      -7.146838     -1.254673      2.745683
  F      -7.731988     -2.165790      3.540805
  C      -5.846896     -0.802750      3.025931
  C      -4.987189     -1.320603      4.132551
  O      -5.138250     -2.423354      4.655649
  N      -3.930983     -0.457819      4.440341
  C      -2.866699     -0.912213      5.121037
  C      -5.325259      0.155112      2.159462
  C      -8.175906     10.600906     -0.318830
  C      -7.577228      9.215678     -0.191276
  O      -7.573521      8.445550     -1.148659
  C      -7.004666      8.808858      1.126981
  C      -7.008743      9.659479      2.246169
  C      -6.472833      9.225482      3.452783
  C      -5.922527      7.947365      3.543445
  F      -5.449873      7.589522      4.755610
  C      -5.887117      7.062000      2.450229
  C      -5.341284      5.656210      2.450025
  O      -5.701305      4.884076      1.542859
  N      -4.479361      5.366121      3.482786
  C      -4.003715      4.128972      3.486401
  C      -6.450614      7.530306      1.257079
  C     -12.093197      1.694318      0.477194
  C     -11.209711      1.040588      1.517765
  O     -11.313048     -0.161083      1.762304
  C     -10.203877      1.881221      2.225199
  C      -9.848629      3.164536      1.771799
  C      -8.861272      3.895672      2.422899
  C      -8.228633      3.332394      3.527520
  F      -7.319777      4.089183      4.175804
  C      -8.534360      2.048597      4.003288
  C      -7.818325      1.407038      5.163492
  O      -8.441832      0.709526      5.971617
  N      -6.459566      1.640559      5.159264
  C      -5.849073      1.679283      6.324063
  C      -9.550636      1.352795      3.347711
  H      -6.930866      3.070846     -0.243766
  H      -5.497291      3.170501     -1.306574
  H      -6.656871      1.803155     -1.458773
  H      -7.940439      0.629860      0.038787
  H      -8.911137     -1.109989      1.537097
  H      -2.805272     -1.909048      5.579779
  H      -4.309066      0.495003      2.325084
  H      -9.006061     10.734378      0.391528
  H      -7.427450     11.374441     -0.089488
  H      -8.543706     10.739142     -1.341002
  H      -7.435610     10.660797      2.185611
  H      -6.478221      9.858253      4.340864
  H      -4.262023      3.416012      2.686575
  H      -6.451550      6.857092      0.398883
  H     -12.840204      0.969877      0.135329
  H     -11.492661      2.023187     -0.385444
  H     -12.590784      2.587493      0.882179
  H     -10.339296      3.598221      0.899661
  H      -8.560488      4.888422      2.088835
  H      -6.437053      1.725175      7.259087
  H      -9.824060      0.360257      3.708159
  N      -2.120447      1.630132      2.756988
  H      -1.594858      0.762253      2.621572
  H      -1.458495      2.406123      2.676051
  H      -2.757335      1.718563      1.945556
90
Coordinates from ORCA-job orca E -6670.656381271551
  N      -1.949017      0.061967      5.237006
  Mo     -3.206497      1.636296      4.801101
  N      -4.518300      1.754290      6.418148
  C      -4.013013      2.274714      7.694812
  C      -2.520798      2.033664      7.737769
  N      -1.879789      2.374077      6.421871
  C      -0.571557      1.644588      6.321716
  C      -0.815021      0.145681      6.130623
  C      -1.654094      3.852504      6.253993
  C      -2.830603      4.522179      5.564202
  N      -3.222161      3.650316      4.459523
  H       0.087823     -0.312996      5.694562
  H      -1.013701     -0.370302      7.084630
  H      -0.065907      2.042389      5.432552
  H       0.056427      1.849321      7.205642
  H      -3.683747      4.682444      6.240823
  H      -2.539004      5.516190      5.191046
  H      -1.432322      4.308293      7.231942
  H      -0.766525      3.964097      5.616975
  H      -4.489952      1.770654      8.552488
  H      -4.235135      3.350907      7.790998
  H      -2.340181      0.966151      7.916878
  H      -2.031238      2.604871      8.543305
  C      -6.144162      2.468497     -0.755704
  C      -5.339820      1.711974      0.264607
  O      -4.142838      1.966069      0.440414
  C      -6.019631      0.671141      1.087006
  C      -7.328743      0.210134      0.864416
  C      -7.878187     -0.765877      1.691702
  C      -7.131959     -1.266758      2.757244
  F      -7.715437     -2.174154      3.558386
  C      -5.829038     -0.818587      3.030475
  C      -4.963923     -1.337064      4.132442
  O      -5.110706     -2.440735      4.654681
  N      -3.910759     -0.469772      4.437344
  C      -2.841524     -0.915861      5.115996
  C      -5.308312      0.136592      2.160536
  C      -8.141336     10.619776     -0.320134
  C      -7.555691      9.229111     -0.193380
  O      -7.544727      8.465538     -1.155969
  C      -7.000967      8.810150      1.128617
  C      -7.025246      9.648437      2.257047
  C      -6.504302      9.204005      3.466366
  C      -5.946754      7.928434      3.550336
  F      -5.486524      7.560403      4.764415
  C      -5.891314      7.055630      2.448355
  C      -5.334078      5.654168      2.440041
  O      -5.677664      4.887957      1.521292
  N      -4.477494      5.363543      3.478252
  C      -3.996224      4.128657      3.481072
  C      -6.442168      7.533175      1.252791
  C     -12.112636      1.705054      0.479394
  C     -11.243761      1.054766      1.534158
  O     -11.364574     -0.141970      1.795087
  C     -10.226917      1.891057      2.231608
  C      -9.884450      3.180123      1.784806
  C      -8.893033      3.910939      2.429775
  C      -8.241096      3.340724      3.520130
  F      -7.326211      4.096669      4.161400
  C      -8.536499      2.052767      3.990230
  C      -7.814704      1.408467      5.145295
  O      -8.435466      0.704333      5.949599
  N      -6.456874      1.644054      5.143949
  C      -5.849672      1.680455      6.310044
  C      -9.557677      1.357318      3.342128
  H      -6.915777      3.058923     -0.237558
  H      -5.487280      3.147498     -1.308461
  H      -6.656558      1.787358     -1.451059
  H      -7.931632      0.615797      0.051813
  H      -8.905269     -1.109340      1.558937
  H      -2.769558     -1.911871      5.574954
  H      -4.290845      0.473165      2.323161
  H      -8.982233     10.756563      0.376846
  H      -7.390406     11.385717     -0.073707
  H      -8.491120     10.767871     -1.347306
  H      -7.456560     10.648149      2.201281
  H      -6.525433      9.826946      4.361174
  H      -4.243844      3.416475      2.678148
  H      -6.425221      6.867672      0.389027
  H     -12.872945      0.989060      0.149336
  H     -11.501483      2.002521     -0.387521
  H     -12.593036      2.616766      0.862732
  H     -10.388038      3.618468      0.922712
  H      -8.606145      4.909651      2.101475
  H      -6.440524      1.731033      7.243022
  H      -9.827220      0.364552      3.703930
  N      -2.131569      1.629526      2.745300
  H      -1.592637      0.767897      2.622660
  H      -1.482790      2.415434      2.654244
  H      -2.771317      1.695614      1.933877
90
Coordinates from ORCA-job orca E -6670.656454777988
  N      -1.952546      0.056600      5.244472
  Mo     -3.206029      1.633431      4.801683
  N      -4.513202      1.766504      6.422529
  C      -4.001251      2.273411      7.701523
  C      -2.510074      2.023959      7.735233
  N      -1.874266      2.368819      6.417672
  C      -0.565416      1.641221      6.313238
  C      -0.808755      0.141599      6.125233
  C      -1.650328      3.848282      6.252451
  C      -2.825759      4.515976      5.559658
  N      -3.210552      3.644376      4.452082
  H       0.089862     -0.313914      5.677082
  H      -0.993763     -0.376591      7.080685
  H      -0.063532      2.039013      5.421998
  H       0.066132      1.846995      7.194442
  H      -3.682675      4.672357      6.232315
  H      -2.535184      5.511236      5.188803
  H      -1.432344      4.303694      7.231401
  H      -0.760750      3.961776      5.618685
  H      -4.475957      1.763191      8.556914
  H      -4.217856      3.349598      7.809667
  H      -2.334751      0.954403      7.906496
  H      -2.012319      2.587236      8.541324
  C      -6.189153      2.418474     -0.735799
  C      -5.375590      1.668920      0.282013
  O      -4.177099      1.923146      0.445635
  C      -6.048279      0.632107      1.115736
  C      -7.355513      0.162691      0.900490
  C      -7.896889     -0.811768      1.734878
  C      -7.144921     -1.300834      2.801952
  F      -7.719566     -2.207696      3.609589
  C      -5.843518     -0.842996      3.068140
  C      -4.972872     -1.349473      4.171194
  O      -5.116439     -2.448082      4.705193
  N      -3.919553     -0.478204      4.463947
  C      -2.845527     -0.920825      5.136481
  C      -5.330493      0.109032      2.190299
  C      -8.236207     10.583576     -0.275951
  C      -7.637930      9.197439     -0.158785
  O      -7.637119      8.433588     -1.121258
  C      -7.047605      8.787623      1.150562
  C      -7.054821      9.627881      2.277872
  C      -6.502737      9.190398      3.475775
  C      -5.930359      7.920708      3.549409
  F      -5.439149      7.560329      4.753481
  C      -5.890403      7.046491      2.447799
  C      -5.322131      5.649487      2.429992
  O      -5.662966      4.886051      1.508088
  N      -4.463477      5.357595      3.466620
  C      -3.984842      4.121490      3.472213
  C      -6.472882      7.516720      1.264266
  C     -12.031157      1.774848      0.400086
  C     -11.164414      1.119969      1.454193
  O     -11.269819     -0.083174      1.692341
  C     -10.168635      1.958825      2.177846
  C      -9.818871      3.249184      1.740736
  C      -8.839750      3.978930      2.405812
  C      -8.209647      3.406394      3.507639
  F      -7.309124      4.160233      4.170459
  C      -8.511544      2.116804      3.968229
  C      -7.804598      1.467570      5.130259
  O      -8.437445      0.766663      5.928279
  N      -6.445075      1.691187      5.138521
  C      -5.844308      1.710759      6.309356
  C      -9.519857      1.422818      3.299181
  H      -6.962461      3.004996     -0.216310
  H      -5.539697      3.100390     -1.293453
  H      -6.699933      1.731439     -1.426614
  H      -7.962669      0.558627      0.086243
  H      -8.920848     -1.164683      1.604580
  H      -2.768784     -1.915662      5.597371
  H      -4.314379      0.451980      2.347538
  H      -9.064273     10.714128      0.437356
  H      -7.486496     11.355362     -0.044641
  H      -8.607356     10.727668     -1.296136
  H      -7.497404     10.623092      2.230478
  H      -6.510054      9.814546      4.369970
  H      -4.237087      3.406707      2.670995
  H      -6.471057      6.849760      0.401789
  H     -12.780176      1.055039      0.053383
  H     -11.415629      2.089843     -0.457392
  H     -12.524913      2.676341      0.790444
  H     -10.304608      3.688057      0.868878
  H      -8.545152      4.977377      2.083358
  H      -6.439622      1.762910      7.239307
  H      -9.793820      0.427864      3.651364
  N      -2.144149      1.608129      2.740326
  H      -1.600154      0.749438      2.620358
  H      -1.501974      2.397949      2.637118
  H      -2.790551      1.663735      1.933209
90
Coordinates from ORCA-job orca E -6670.656497460162
  N      -1.949886      0.055488      5.238922
  Mo     -3.203498      1.633584      4.801641
  N      -4.511002      1.767222      6.423275
  C      -3.997765      2.264280      7.704658
  C      -2.506931      2.012189      7.734903
  N      -1.872333      2.363646      6.418571
  C      -0.562763      1.638854      6.309796
  C      -0.802440      0.139182      6.115339
  C      -1.650956      3.844417      6.261217
  C      -2.826314      4.512604      5.568611
  N      -3.204732      3.645264      4.454277
  H       0.096007     -0.309674      5.659961
  H      -0.980156     -0.386058      7.068203
  H      -0.061676      2.040657      5.419820
  H       0.070293      1.841326      7.190809
  H      -3.686534      4.660605      6.238957
  H      -2.538187      5.510689      5.203845
  H      -1.435565      4.295141      7.242893
  H      -0.759949      3.963351      5.630399
  H      -4.470525      1.747740      8.557553
  H      -4.215452      3.339349      7.823234
  H      -2.333720      0.941272      7.899240
  H      -2.006878      2.569429      8.543723
  C      -6.207784      2.434495     -0.717601
  C      -5.391067      1.682041      0.295347
  O      -4.191269      1.932684      0.454449
  C      -6.061755      0.643506      1.128789
  C      -7.367411      0.170416      0.912501
  C      -7.904299     -0.809825      1.742788
  C      -7.150476     -1.299915      2.808390
  F      -7.720013     -2.214040      3.610906
  C      -5.850463     -0.838512      3.075498
  C      -4.977224     -1.346943      4.176202
  O      -5.119974     -2.445826      4.709567
  N      -3.920764     -0.478127      4.465813
  C      -2.844588     -0.922405      5.133471
  C      -5.341454      0.118790      2.200965
  C      -8.251786     10.561159     -0.286779
  C      -7.647340      9.178079     -0.164800
  O      -7.649483      8.408220     -1.122527
  C      -7.052099      8.776944      1.144912
  C      -7.060140      9.622343      2.268286
  C      -6.504205      9.192128      3.467099
  C      -5.927439      7.924762      3.545519
  F      -5.433532      7.571649      4.750522
  C      -5.886381      7.045736      2.447486
  C      -5.315847      5.649659      2.435113
  O      -5.656961      4.881998      1.517096
  N      -4.457232      5.360806      3.472043
  C      -3.979021      4.124931      3.476731
  C      -6.472389      7.508599      1.263153
  C     -12.009275      1.785603      0.381496
  C     -11.153527      1.131168      1.444979
  O     -11.268598     -0.069886      1.688802
  C     -10.158280      1.967888      2.171725
  C      -9.803461      3.257526      1.735583
  C      -8.826482      3.985712      2.405450
  C      -8.202219      3.411976      3.509850
  F      -7.305296      4.164789      4.178490
  C      -8.505838      2.121276      3.967136
  C      -7.799622      1.467601      5.126731
  O      -8.432729      0.763372      5.922160
  N      -6.440988      1.693947      5.137540
  C      -5.841280      1.708878      6.309629
  C      -9.513926      1.430148      3.294627
  H      -6.979714      3.018811     -0.193240
  H      -5.561611      3.119254     -1.275483
  H      -6.720166      1.748349     -1.408077
  H      -7.976659      0.566659      0.100049
  H      -8.924441     -1.170880      1.607017
  H      -2.766260     -1.918095      5.592161
  H      -4.326599      0.465017      2.358524
  H      -9.078326     10.691061      0.428457
  H      -7.504743     11.337132     -0.061067
  H      -8.627009     10.698873     -1.306348
  H      -7.506204     10.615807      2.217165
  H      -6.512320      9.820243      4.358514
  H      -4.233396      3.413272      2.674118
  H      -6.470849      6.839295      0.402209
  H     -12.758034      1.067375      0.031002
  H     -11.385950      2.096283     -0.471861
  H     -12.503657      2.689644      0.765301
  H     -10.285140      3.698336      0.862477
  H      -8.530891      4.985149      2.086508
  H      -6.437600      1.755468      7.239168
  H      -9.788783      0.434142      3.643144
  N      -2.147669      1.609274      2.739067
  H      -1.599117      0.753565      2.618864
  H      -1.510242      2.402643      2.631772
  H      -2.796588      1.662500      1.933445
90
Coordinates from ORCA-job orca E -6670.656559815913
  N      -1.941100      0.053716      5.244903
  Mo     -3.195725      1.628842      4.798871
  N      -4.508430      1.778530      6.416383
  C      -3.995426      2.261965      7.702351
  C      -2.506115      2.000505      7.731349
  N      -1.869628      2.360880      6.418795
  C      -0.556438      1.643459      6.309208
  C      -0.787730      0.142748      6.113270
  C      -1.654275      3.843643      6.270209
  C      -2.824566      4.507467      5.565836
  N      -3.185552      3.640435      4.444896
  H       0.110347     -0.298348      5.649581
  H      -0.954406     -0.386617      7.065698
  H      -0.057914      2.049114      5.419517
  H       0.076284      1.848191      7.189967
  H      -3.694097      4.648767      6.225468
  H      -2.537366      5.507682      5.206389
  H      -1.452918      4.291043      7.256271
  H      -0.756112      3.970080      5.651164
  H      -4.470990      1.739975      8.550451
  H      -4.208138      3.336964      7.831055
  H      -2.339906      0.926910      7.884937
  H      -2.002829      2.546780      8.545611
  C      -6.232322      2.390208     -0.698488
  C      -5.408139      1.641123      0.310665
  O      -4.207026      1.891255      0.460033
  C      -6.072997      0.606420      1.153294
  C      -7.376535      0.125494      0.942651
  C      -7.908137     -0.850773      1.781114
  C      -7.150573     -1.329832      2.849009
  F      -7.713703     -2.241102      3.658761
  C      -5.851491     -0.861502      3.109527
  C      -4.972683     -1.360619      4.210305
  O      -5.112733     -2.454787      4.753750
  N      -3.914461     -0.489979      4.487820
  C      -2.832912     -0.928482      5.149927
  C      -5.348604      0.092438      2.227863
  C      -8.326582     10.526257     -0.247780
  C      -7.707923      9.148611     -0.136045
  O      -7.721030      8.377907     -1.093074
  C      -7.088467      8.752560      1.163839
  C      -7.095382      9.593344      2.290625
  C      -6.517702      9.166873      3.480385
  C      -5.920142      7.908466      3.546432
  F      -5.404874      7.559717      4.743585
  C      -5.878385      7.034778      2.443921
  C      -5.288294      5.646794      2.418778
  O      -5.614377      4.884972      1.490883
  N      -4.433805      5.356677      3.458924
  C      -3.954196      4.121424      3.463345
  C      -6.486710      7.493352      1.269297
  C     -11.968747      1.862925      0.325508
  C     -11.134221      1.204581      1.403380
  O     -11.272459      0.007815      1.656861
  C     -10.133129      2.031445      2.132797
  C      -9.768208      3.319681      1.699865
  C      -8.791070      4.041589      2.376311
  C      -8.174803      3.461808      3.481993
  F      -7.278971      4.208798      4.158599
  C      -8.485874      2.170986      3.934206
  C      -7.787718      1.510980      5.094703
  O      -8.429117      0.807948      5.885121
  N      -6.428390      1.731088      5.114964
  C      -5.837521      1.735237      6.292736
  C      -9.496282      1.488015      3.257197
  H      -7.002408      2.973551     -0.170099
  H      -5.591797      3.075845     -1.261669
  H      -6.747741      1.701309     -1.383906
  H      -7.989830      0.513489      0.129310
  H      -8.926613     -1.216653      1.646577
  H      -2.747292     -1.922889      5.609991
  H      -4.335397      0.444439      2.382225
  H      -9.145741     10.646936      0.477589
  H      -7.584135     11.308609     -0.029304
  H      -8.715992     10.662293     -1.262251
  H      -7.557622     10.579825      2.249369
  H      -6.524498      9.791100      4.374521
  H      -4.206060      3.411374      2.658564
  H      -6.486349      6.828419      0.404973
  H     -12.727245      1.154670     -0.024512
  H     -11.331507      2.152561     -0.525107
  H     -12.450265      2.779947      0.694373
  H     -10.243836      3.765829      0.826088
  H      -8.491572      5.041450      2.062428
  H      -6.441332      1.783573      7.217246
  H      -9.779595      0.493711      3.603519
  N      -2.153039      1.590123      2.731925
  H      -1.590742      0.741887      2.623199
  H      -1.530094      2.392887      2.608653
  H      -2.806419      1.621575      1.928400
90
Coordinates from ORCA-job orca E -6670.656614118752
  N      -1.941984      0.047548      5.253924
  Mo     -3.190546      1.624317      4.793438
  N      -4.507309      1.802781      6.405796
  C      -3.992072      2.276792      7.693972
  C      -2.506228      1.995443      7.724369
  N      -1.864048      2.356206      6.415280
  C      -0.551401      1.638189      6.308338
  C      -0.783377      0.137746      6.115189
  C      -1.644653      3.838880      6.270563
  C      -2.805187      4.504631      5.554531
  N      -3.159836      3.636554      4.432525
  H       0.111733     -0.303241      5.645801
  H      -0.944489     -0.390836      7.068884
  H      -0.052868      2.042992      5.418325
  H       0.080353      1.844681      7.189292
  H      -3.680898      4.650938      6.204861
  H      -2.510818      5.502800      5.195191
  H      -1.453422      4.284541      7.259305
  H      -0.739402      3.963738      5.661739
  H      -4.475607      1.758244      8.539566
  H      -4.190476      3.354251      7.824106
  H      -2.354869      0.918641      7.870829
  H      -1.996716      2.529926      8.542558
  C      -6.276230      2.366577     -0.660613
  C      -5.442518      1.616474      0.339733
  O      -4.239623      1.865163      0.476752
  C      -6.098631      0.581120      1.188162
  C      -7.398120      0.088619      0.980561
  C      -7.921311     -0.889112      1.822859
  C      -7.158787     -1.359254      2.890886
  F      -7.712746     -2.273989      3.702890
  C      -5.862672     -0.879527      3.147931
  C      -4.976768     -1.373029      4.245544
  O      -5.114726     -2.463734      4.796604
  N      -3.916628     -0.502075      4.513312
  C      -2.830667     -0.936660      5.169111
  C      -5.369308      0.076813      2.263778
  C      -8.400627     10.497292     -0.195868
  C      -7.778526      9.120691     -0.090780
  O      -7.822995      8.340488     -1.039156
  C      -7.120841      8.735752      1.193478
  C      -7.107691      9.579982      2.317628
  C      -6.495273      9.162994      3.493136
  C      -5.883087      7.910991      3.547673
  F      -5.332287      7.573491      4.731979
  C      -5.859669      7.034372      2.446602
  C      -5.257322      5.651538      2.408890
  O      -5.576545      4.894994      1.474323
  N      -4.401786      5.358642      3.447956
  C      -3.927446      4.121426      3.451271
  C      -6.502490      7.483659      1.286786
  C     -11.897842      1.885902      0.239105
  C     -11.094033      1.239179      1.347131
  O     -11.246515      0.047358      1.614747
  C     -10.103141      2.070879      2.085287
  C      -9.744461      3.363033      1.658640
  C      -8.778635      4.090751      2.345113
  C      -8.165131      3.511655      3.452765
  F      -7.279460      4.263183      4.138481
  C      -8.470165      2.217246      3.898985
  C      -7.776579      1.558666      5.062767
  O      -8.422841      0.856019      5.850090
  N      -6.417489      1.777402      5.090836
  C      -5.834897      1.775463      6.273853
  C      -9.471725      1.529858      3.213914
  H      -7.045543      2.944764     -0.125252
  H      -5.642261      3.056975     -1.225404
  H      -6.793692      1.678250     -1.345111
  H      -8.016129      0.468712      0.167086
  H      -8.936813     -1.261917      1.686847
  H      -2.739164     -1.930853      5.628501
  H      -4.359041      0.437403      2.417768
  H      -9.202725     10.621726      0.547811
  H      -7.653921     11.281338      0.000627
  H      -8.814549     10.626872     -1.201428
  H      -7.581262     10.561429      2.285584
  H      -6.485480      9.789897      4.385383
  H      -4.187843      3.412370      2.647577
  H      -6.516661      6.816478      0.424285
  H     -12.651343      1.176370     -0.119134
  H     -11.236900      2.158730     -0.599035
  H     -12.383839      2.811024      0.580726
  H     -10.215694      3.808079      0.781873
  H      -8.486647      5.094237      2.036515
  H      -6.445516      1.831173      7.193298
  H      -9.751660      0.533361      3.556236
  N      -2.169628      1.565854      2.717759
  H      -1.600371      0.721370      2.616801
  H      -1.556488      2.373414      2.576613
  H      -2.831319      1.579973      1.920420
90
Coordinates from ORCA-job orca E -6670.656672050157
  N      -1.937049      0.050299      5.252336
  Mo     -3.187123      1.625136      4.791148
  N      -4.508607      1.817103      6.400634
  C      -3.991124      2.275085      7.693871
  C      -2.507364      1.981285      7.720796
  N      -1.863628      2.354392      6.416351
  C      -0.547619      1.643064      6.305562
  C      -0.772407      0.142499      6.105518
  C      -1.650425      3.839694      6.282591
  C      -2.806044      4.502198      5.555539
  N      -3.142880      3.637138      4.425171
  H       0.121545     -0.290378      5.626515
  H      -0.923486     -0.392482      7.057192
  H      -0.052521      2.055009      5.416957
  H       0.083327      1.849301      7.187105
  H      -3.690824      4.638943      6.195481
  H      -2.513819      5.503999      5.204880
  H      -1.474383      4.280278      7.276293
  H      -0.738382      3.972933      5.685873
  H      -4.479255      1.752169      8.533905
  H      -4.179703      3.353071      7.833548
  H      -2.365161      0.901164      7.852004
  H      -1.992850      2.500484      8.545728
  C      -6.325751      2.329971     -0.635325
  C      -5.480398      1.582414      0.356914
  O      -4.277112      1.835016      0.483062
  C      -6.125586      0.546922      1.212662
  C      -7.418749      0.037769      1.006654
  C      -7.932418     -0.938255      1.856583
  C      -7.166699     -1.391390      2.929498
  F      -7.713091     -2.304772      3.747928
  C      -5.875561     -0.896072      3.183731
  C      -4.983471     -1.376663      4.281896
  O      -5.117899     -2.461782      4.844861
  N      -3.920291     -0.504494      4.534510
  C      -2.828018     -0.935213      5.181984
  C      -5.392520      0.059399      2.293177
  C      -8.471090     10.474613     -0.146636
  C      -7.844154      9.099744     -0.047835
  O      -7.911987      8.312505     -0.989042
  C      -7.146227      8.727898      1.218936
  C      -7.111494      9.576885      2.338890
  C      -6.463175      9.170846      3.498747
  C      -5.837541      7.925015      3.542035
  F      -5.249912      7.600351      4.712017
  C      -5.834096      7.043893      2.444040
  C      -5.221921      5.665168      2.394197
  O      -5.530637      4.917134      1.449531
  N      -4.373958      5.364445      3.437397
  C      -3.899559      4.126830      3.437751
  C      -6.511493      7.483234      1.299942
  C     -11.834964      1.917221      0.169038
  C     -11.062665      1.277128      1.303155
  O     -11.238374      0.092395      1.587060
  C     -10.072613      2.106457      2.045518
  C      -9.700237      3.393165      1.614651
  C      -8.736833      4.118825      2.307013
  C      -8.137053      3.541587      3.422983
  F      -7.252278      4.290844      4.112525
  C      -8.454709      2.251500      3.872693
  C      -7.772552      1.593274      5.043446
  O      -8.427465      0.896506      5.828817
  N      -6.412195      1.803705      5.077751
  C      -5.835295      1.798653      6.263936
  C      -9.455810      1.568136      3.183494
  H      -7.095437      2.902103     -0.093934
  H      -5.699711      3.025072     -1.203114
  H      -6.844219      1.640206     -1.317747
  H      -8.040161      0.403765      0.189352
  H      -8.943917     -1.321312      1.721217
  H      -2.731363     -1.926510      5.646519
  H      -4.387291      0.433076      2.447547
  H      -9.256995     10.601226      0.613894
  H      -7.722176     11.261358      0.029274
  H      -8.907839     10.597749     -1.143310
  H      -7.596415     10.553022      2.316163
  H      -6.435121      9.801638      4.387825
  H      -4.153601      3.422606      2.628744
  H      -6.541759      6.812802      0.440535
  H     -12.587252      1.210067     -0.196555
  H     -11.152859      2.173474     -0.657239
  H     -12.320179      2.850918      0.487558
  H     -10.158920      3.836158      0.730225
  H      -8.435160      5.118022      1.994947
  H      -6.450087      1.856926      7.180379
  H      -9.746212      0.575814      3.529261
  N      -2.193079      1.556715      2.704098
  H      -1.615812      0.717542      2.604288
  H      -1.590741      2.370084      2.549601
  H      -2.862908      1.557368      1.913157
90
Coordinates from ORCA-job orca E -6670.656731426327
  N      -1.940296      0.055160      5.244863
  Mo     -3.187033      1.634192      4.792575
  N      -4.514619      1.826927      6.399100
  C      -3.996759      2.274786      7.696136
  C      -2.515497      1.970018      7.724050
  N      -1.866162      2.351515      6.425013
  C      -0.550821      1.639183      6.313005
  C      -0.776572      0.140372      6.100132
  C      -1.652324      3.838218      6.301285
  C      -2.803212      4.504871      5.569326
  N      -3.133896      3.646665      4.431738
  H       0.117478     -0.289557      5.618853
  H      -0.929752     -0.401510      7.047610
  H      -0.052869      2.057716      5.429092
  H       0.076143      1.839159      7.198670
  H      -3.692241      4.635877      6.204454
  H      -2.509592      5.509342      5.227878
  H      -1.485020      4.272392      7.299182
  H      -0.736021      3.975233      5.711946
  H      -4.492286      1.752136      8.531573
  H      -4.174949      3.354078      7.838672
  H      -2.381667      0.887364      7.844193
  H      -1.999149      2.477201      8.555383
  C      -6.358283      2.344406     -0.626497
  C      -5.507141      1.595828      0.360354
  O      -4.306106      1.857842      0.488654
  C      -6.143921      0.550348      1.209786
  C      -7.426964      0.020397      0.991685
  C      -7.932745     -0.961570      1.839386
  C      -7.170207     -1.401576      2.920044
  F      -7.712972     -2.320394      3.734936
  C      -5.888081     -0.888055      3.183910
  C      -4.995315     -1.361994      4.283738
  O      -5.129513     -2.445726      4.850142
  N      -3.930206     -0.491234      4.533273
  C      -2.837146     -0.925841      5.176457
  C      -5.413175      0.074575      2.296757
  C      -8.487573     10.475281     -0.129462
  C      -7.868293      9.097557     -0.022622
  O      -7.967692      8.293805     -0.946918
  C      -7.133650      8.745433      1.229046
  C      -7.064883      9.612761      2.333049
  C      -6.383887      9.224287      3.480115
  C      -5.761962      7.976653      3.527193
  F      -5.138197      7.673180      4.684093
  C      -5.793342      7.076309      2.445224
  C      -5.189622      5.693354      2.397020
  O      -5.495781      4.949865      1.448163
  N      -4.353572      5.382434      3.446701
  C      -3.880841      4.143782      3.441202
  C      -6.499404      7.500915      1.312609
  C     -11.824963      1.860227      0.155765
  C     -11.064582      1.234684      1.306057
  O     -11.248034      0.056231      1.609031
  C     -10.075068      2.072174      2.041172
  C      -9.700923      3.353792      1.598275
  C      -8.737635      4.085735      2.284547
  C      -8.138291      3.519048      3.405856
  F      -7.250367      4.273206      4.085661
  C      -8.460112      2.234870      3.869428
  C      -7.780788      1.588901      5.049050
  O      -8.436056      0.901386      5.841668
  N      -6.419871      1.799616      5.079960
  C      -5.841302      1.802987      6.264919
  C      -9.460781      1.545343      3.186108
  H      -7.134728      2.905037     -0.082508
  H      -5.736549      3.048821     -1.187577
  H      -6.869981      1.656786     -1.316283
  H      -8.045300      0.373213      0.166298
  H      -8.936991     -1.360638      1.696984
  H      -2.742477     -1.916295      5.643212
  H      -4.415488      0.464289      2.460468
  H      -9.253087     10.620170      0.648406
  H      -7.729462     11.259794      0.013935
  H      -8.948784     10.584570     -1.116682
  H      -7.548143     10.589675      2.308023
  H      -6.326559      9.870564      4.356543
  H      -4.128414      3.446429      2.625052
  H      -6.552548      6.816687      0.465189
  H     -12.565493      1.143572     -0.215245
  H     -11.134256      2.119990     -0.661894
  H     -12.324513      2.790410      0.462526
  H     -10.158056      3.788598      0.709006
  H      -8.433782      5.081264      1.962740
  H      -6.454788      1.861618      7.182221
  H      -9.753401      0.557206      3.542081
  N      -2.212329      1.572323      2.696196
  H      -1.640723      0.730799      2.583762
  H      -1.606484      2.383573      2.544665
  H      -2.888148      1.582469      1.910490
90
Coordinates from ORCA-job orca E -6670.656815743727
  N      -1.946726      0.051546      5.252757
  Mo     -3.183965      1.637165      4.795103
  N      -4.516958      1.845600      6.396409
  C      -3.998947      2.281947      7.697114
  C      -2.521517      1.960140      7.726814
  N      -1.864776      2.344888      6.432407
  C      -0.551200      1.629729      6.322867
  C      -0.780382      0.131841      6.104680
  C      -1.647483      3.831803      6.316093
  C      -2.788810      4.503108      5.573648
  N      -3.113329      3.648862      4.431232
  H       0.111453     -0.298081      5.619433
  H      -0.931921     -0.412879      7.050824
  H      -0.048724      2.049802      5.442193
  H       0.072428      1.826057      7.211666
  H      -3.683758      4.633645      6.200641
  H      -2.489505      5.508035      5.238806
  H      -1.492461      4.261898      7.317644
  H      -0.723858      3.970349      5.738574
  H      -4.504251      1.761741      8.527973
  H      -4.163211      3.363113      7.843435
  H      -2.400206      0.875027      7.838631
  H      -2.001379      2.455275      8.563096
  C      -6.396959      2.306228     -0.623654
  C      -5.539909      1.567016      0.365789
  O      -4.340866      1.838383      0.492577
  C      -6.169389      0.521558      1.220364
  C      -7.445285     -0.025569      1.001030
  C      -7.944459     -1.002611      1.858120
  C      -7.183052     -1.421534      2.947997
  F      -7.721799     -2.335694      3.770833
  C      -5.906306     -0.894315      3.210310
  C      -5.010921     -1.354429      4.313027
  O      -5.146245     -2.431927      4.891783
  N      -3.942210     -0.485234      4.551972
  C      -2.848627     -0.923289      5.191395
  C      -5.438769      0.065211      2.315709
  C      -8.603651     10.418351     -0.059629
  C      -7.971408      9.046463      0.045766
  O      -8.117736      8.219682     -0.851605
  C      -7.168065      8.727707      1.263773
  C      -7.052687      9.617622      2.345484
  C      -6.308944      9.258983      3.462919
  C      -5.673383      8.017865      3.503561
  F      -4.982670      7.749282      4.630734
  C      -5.752001      7.094219      2.443651
  C      -5.142190      5.713626      2.388864
  O      -5.435995      4.977730      1.430436
  N      -4.319902      5.392347      3.445867
  C      -3.851336      4.152150      3.436133
  C      -6.516384      7.492003      1.339180
  C     -11.771329      1.891999      0.093652
  C     -11.018433      1.266253      1.248545
  O     -11.203436      0.088050      1.551602
  C     -10.035868      2.104963      1.991745
  C      -9.655592      3.384882      1.549874
  C      -8.697331      4.116850      2.243222
  C      -8.109321      3.551889      3.371184
  F      -7.225049      4.304801      4.056528
  C      -8.439404      2.270208      3.836032
  C      -7.775749      1.628118      5.027073
  O      -8.442275      0.952643      5.820372
  N      -6.413862      1.830930      5.067730
  C      -5.842689      1.831486      6.256413
  C      -9.434020      1.580097      3.144594
  H      -7.182558      2.857547     -0.083320
  H      -5.780670      3.016557     -1.183369
  H      -6.898768      1.612827     -1.315046
  H      -8.061775      0.308802      0.166584
  H      -8.944595     -1.413493      1.718585
  H      -2.755638     -1.912864      5.660370
  H      -4.446633      0.468704      2.480362
  H      -9.329192     10.576058      0.753271
  H      -7.844712     11.210370      0.027040
  H      -9.116120     10.503036     -1.023741
  H      -7.547233     10.589021      2.326333
  H      -6.210768      9.924461      4.321169
  H      -4.094357      3.459722      2.614005
  H      -6.600167      6.791504      0.507644
  H     -12.498135      1.169503     -0.292674
  H     -11.075366      2.170943     -0.712803
  H     -12.287177      2.811889      0.405075
  H     -10.104313      3.819626      0.656337
  H      -8.388540      5.111897      1.922892
  H      -6.460225      1.894041      7.170696
  H      -9.733486      0.594214      3.500911
  N      -2.228388      1.559628      2.692103
  H      -1.659736      0.716483      2.575942
  H      -1.621781      2.368988      2.533864
  H      -2.911517      1.568014      1.912646
90
Coordinates from ORCA-job orca E -6670.656985402648
  N      -1.963662      0.042554      5.276553
  Mo     -3.183737      1.638430      4.803103
  N      -4.527476      1.868996      6.391469
  C      -4.015729      2.305655      7.693934
  C      -2.543372      1.963641      7.738554
  N      -1.871527      2.338117      6.448817
  C      -0.563119      1.612898      6.352944
  C      -0.801806      0.116155      6.134649
  C      -1.642657      3.822589      6.332161
  C      -2.768609      4.502656      5.574625
  N      -3.094913      3.649628      4.431756
  H       0.089869     -0.321089      5.655867
  H      -0.963060     -0.425381      7.081123
  H      -0.047152      2.027783      5.477544
  H       0.052386      1.805988      7.248143
  H      -3.667910      4.645502      6.193099
  H      -2.454561      5.503535      5.241136
  H      -1.500487      4.253890      7.335161
  H      -0.709380      3.955547      5.768902
  H      -4.537871      1.798380      8.522191
  H      -4.163817      3.390468      7.832543
  H      -2.435741      0.877533      7.855434
  H      -2.024053      2.455384      8.577427
  C      -6.388070      2.254348     -0.660161
  C      -5.540525      1.534670      0.352659
  O      -4.345355      1.816325      0.492045
  C      -6.176196      0.498178      1.213330
  C      -7.448315     -0.057129      0.989618
  C      -7.952020     -1.021678      1.857704
  C      -7.198992     -1.421781      2.960768
  F      -7.743220     -2.325611      3.791584
  C      -5.925131     -0.889604      3.225125
  C      -5.034758     -1.338414      4.335132
  O      -5.179410     -2.408263      4.926793
  N      -3.960902     -0.474359      4.569401
  C      -2.874340     -0.921238      5.214282
  C      -5.454563      0.061162      2.322577
  C      -8.780621     10.335406      0.076972
  C      -8.133392      8.970352      0.178975
  O      -8.370022      8.101619     -0.657474
  C      -7.209128      8.707979      1.322440
  C      -6.994822      9.643998      2.348679
  C      -6.142000      9.335474      3.401343
  C      -5.499823      8.097276      3.434200
  F      -4.693076      7.885284      4.494788
  C      -5.678188      7.126813      2.429770
  C      -5.075208      5.742689      2.373285
  O      -5.360436      5.014029      1.406628
  N      -4.274406      5.405657      3.441259
  C      -3.818626      4.160882      3.430385
  C      -6.543861      7.479369      1.385975
  C     -11.752983      1.909972      0.046921
  C     -10.988274      1.281930      1.192289
  O     -11.163726      0.101310      1.491937
  C     -10.008626      2.123418      1.936462
  C      -9.623647      3.400013      1.489954
  C      -8.662909      4.131337      2.180425
  C      -8.081502      3.571462      3.314449
  F      -7.194212      4.322748      3.996145
  C      -8.421482      2.295636      3.788601
  C      -7.775930      1.663499      4.995624
  O      -8.455772      1.007141      5.793275
  N      -6.413380      1.857608      5.049004
  C      -5.852391      1.861946      6.242184
  C      -9.413923      1.603245      3.095781
  H      -7.192180      2.799914     -0.142166
  H      -5.768375      2.965286     -1.215606
  H      -6.867236      1.547546     -1.354225
  H      -8.054982      0.258579      0.140739
  H      -8.950385     -1.438808      1.721522
  H      -2.791596     -1.910666      5.685470
  H      -4.466378      0.472926      2.490286
  H      -9.417499     10.529217      0.953754
  H      -8.022052     11.132002      0.046419
  H      -9.392414     10.374843     -0.830528
  H      -7.495666     10.612319      2.337115
  H      -5.960054     10.039085      4.214372
  H      -4.056736      3.473781      2.602724
  H      -6.696149      6.744572      0.594716
  H     -12.458396      1.176327     -0.357183
  H     -11.066546      2.232161     -0.750899
  H     -12.296620      2.805566      0.382630
  H     -10.069186      3.833269      0.594248
  H      -8.347591      5.123876      1.856052
  H      -6.474487      1.933367      7.152706
  H      -9.720079      0.621334      3.456988
  N      -2.232118      1.543552      2.701359
  H      -1.674757      0.693536      2.578915
  H      -1.614488      2.344844      2.545455
  H      -2.918326      1.561098      1.924738
90
Coordinates from ORCA-job orca E -6670.657180247507
  N      -1.980878      0.030198      5.305739
  Mo     -3.183421      1.635308      4.813681
  N      -4.538503      1.887939      6.386615
  C      -4.035191      2.325952      7.691134
  C      -2.567607      1.966033      7.753185
  N      -1.880761      2.329918      6.468247
  C      -0.577393      1.595037      6.386911
  C      -0.825021      0.098977      6.171856
  C      -1.639455      3.811506      6.350716
  C      -2.749660      4.500083      5.578487
  N      -3.077185      3.646864      4.436267
  H       0.067364     -0.346366      5.702021
  H      -0.997206     -0.437479      7.119368
  H      -0.048131      2.002972      5.516123
  H       0.031282      1.785711      7.287447
  H      -3.652495      4.658454      6.188242
  H      -2.419527      5.495435      5.243785
  H      -1.508567      4.245329      7.354280
  H      -0.696808      3.937854      5.801715
  H      -4.573296      1.831120      8.516882
  H      -4.170608      3.413443      7.823258
  H      -2.471647      0.879627      7.876611
  H      -2.051067      2.456317      8.594672
  C      -6.348180      2.207287     -0.700127
  C      -5.518264      1.505880      0.340568
  O      -4.325039      1.788811      0.492838
  C      -6.169372      0.484997      1.208561
  C      -7.445087     -0.062470      0.984758
  C      -7.960997     -1.011983      1.861749
  C      -7.215984     -1.405650      2.973079
  F      -7.770572     -2.296973      3.810740
  C      -5.938880     -0.881826      3.237416
  C      -5.055972     -1.326091      4.354359
  O      -5.212638     -2.388632      4.956556
  N      -3.976343     -0.468186      4.585609
  C      -2.898487     -0.924026      5.239263
  C      -5.457357      0.056547      2.327562
  C      -8.987200     10.205924      0.244550
  C      -8.312830      8.853844      0.342527
  O      -8.634566      7.937971     -0.411284
  C      -7.262645      8.659730      1.386433
  C      -6.948572      9.649399      2.333960
  C      -5.980330      9.401291      3.299333
  C      -5.326674      8.168646      3.326674
  F      -4.395240      8.022845      4.292612
  C      -5.605081      7.145269      2.401228
  C      -5.004496      5.760068      2.351471
  O      -5.280933      5.031037      1.382168
  N      -4.225653      5.415632      3.432902
  C      -3.785097      4.165896      3.427069
  C      -6.577928      7.441829      1.437687
  C     -11.744345      1.963307      0.002072
  C     -10.964698      1.326972      1.132094
  O     -11.133767      0.143269      1.424124
  C      -9.982225      2.164818      1.876632
  C      -9.590897      3.439187      1.429060
  C      -8.625678      4.165392      2.118080
  C      -8.049586      3.604912      3.255048
  F      -7.158955      4.351537      3.936013
  C      -8.398904      2.332848      3.733100
  C      -7.770759      1.704274      4.951719
  O      -8.465279      1.061435      5.747886
  N      -6.408427      1.890402      5.023018
  C      -5.861885      1.891686      6.222987
  C      -9.392909      1.643568      3.038626
  H      -7.165751      2.756158     -0.207569
  H      -5.719511      2.911227     -1.254625
  H      -6.809816      1.486775     -1.392073
  H      -8.042831      0.246271      0.126932
  H      -8.962214     -1.424051      1.730316
  H      -2.826999     -1.914161      5.710831
  H      -4.467778      0.464936      2.494787
  H      -9.520649     10.440459      1.178471
  H      -8.249532     11.006500      0.084070
  H      -9.701045     10.191416     -0.585904
  H      -7.458691     10.612927      2.328144
  H      -5.713070     10.149272      4.046651
  H      -4.019520      3.482455      2.595300
  H      -6.799470      6.667383      0.702365
  H     -12.438706      1.226359     -0.414484
  H     -11.071400      2.320455     -0.791865
  H     -12.303339      2.839155      0.365236
  H     -10.034874      3.875707      0.534280
  H      -8.305476      5.157053      1.794019
  H      -6.491327      1.970241      7.127811
  H      -9.706768      0.665001      3.401514
  N      -2.228118      1.519906      2.717509
  H      -1.677020      0.665537      2.595958
  H      -1.603602      2.315606      2.560964
  H      -2.914824      1.539595      1.941270
90
Coordinates from ORCA-job orca E -6670.657323622859
  N      -1.988440      0.023476      5.334550
  Mo     -3.182222      1.629292      4.823730
  N      -4.549290      1.888453      6.380026
  C      -4.059671      2.343080      7.683211
  C      -2.592054      1.986665      7.767108
  N      -1.894790      2.336107      6.483977
  C      -0.594470      1.595180      6.418376
  C      -0.846028      0.097644      6.218289
  C      -1.644406      3.814156      6.355826
  C      -2.747828      4.504144      5.575599
  N      -3.075509      3.643168      4.439606
  H       0.052197     -0.357775      5.769546
  H      -1.035511     -0.426294      7.169556
  H      -0.055713      1.990382      5.547420
  H       0.012210      1.789347      7.319845
  H      -3.649677      4.679358      6.181998
  H      -2.407266      5.492370      5.229982
  H      -1.511717      4.256578      7.355597
  H      -0.699036      3.931226      5.809650
  H      -4.604570      1.859006      8.511856
  H      -4.202913      3.430846      7.804137
  H      -2.492699      0.903027      7.907567
  H      -2.087023      2.490652      8.607444
  C      -6.233030      2.159336     -0.770340
  C      -5.436237      1.476604      0.307621
  O      -4.241562      1.745047      0.474817
  C      -6.120173      0.486642      1.186665
  C      -7.414132     -0.018568      0.971611
  C      -7.957119     -0.947956      1.853293
  C      -7.220050     -1.359664      2.964081
  F      -7.795250     -2.232703      3.807652
  C      -5.928275     -0.871381      3.225034
  C      -5.058713     -1.322454      4.350551
  O      -5.229150     -2.379407      4.957012
  N      -3.974563     -0.468781      4.583445
  C      -2.908884     -0.928321      5.256874
  C      -5.418713      0.044256      2.307493
  C      -9.100878     10.130078      0.366725
  C      -8.404003      8.788389      0.445359
  O      -8.765445      7.853239     -0.265960
  C      -7.287926      8.624723      1.423278
  C      -6.921088      9.635564      2.329784
  C      -5.890949      9.412660      3.235957
  C      -5.231946      8.182480      3.247462
  F      -4.230803      8.057225      4.145232
  C      -5.563953      7.140419      2.364073
  C      -4.958594      5.759612      2.315284
  O      -5.223926      5.030335      1.342096
  N      -4.199796      5.416593      3.412266
  C      -3.768459      4.164146      3.419886
  C      -6.592228      7.412519      1.454048
  C     -11.822790      2.007364      0.033646
  C     -11.008519      1.358326      1.130685
  O     -11.167513      0.169966      1.410813
  C     -10.008315      2.187042      1.860800
  C      -9.622758      3.464460      1.414312
  C      -8.644890      4.182665      2.091592
  C      -8.051057      3.614198      3.216665
  F      -7.149326      4.356652      3.887624
  C      -8.395095      2.340562      3.693717
  C      -7.763572      1.707600      4.906843
  O      -8.460821      1.054991      5.693970
  N      -6.403782      1.899879      4.992803
  C      -5.870794      1.895076      6.199318
  C      -9.402118      1.657686      3.010151
  H      -7.045852      2.739849     -0.307505
  H      -5.583042      2.832357     -1.338470
  H      -6.698713      1.423804     -1.443226
  H      -8.005423      0.308493      0.116030
  H      -8.969562     -1.333185      1.727347
  H      -2.852246     -1.917623      5.732173
  H      -4.416796      0.423521      2.466099
  H      -9.567028     10.380664      1.331901
  H      -8.387301     10.934746      0.133694
  H      -9.873651     10.088118     -0.408217
  H      -7.435464     10.596778      2.335573
  H      -5.577747     10.178846      3.946314
  H      -3.994426      3.479856      2.586494
  H      -6.848356      6.625568      0.743907
  H     -12.534520      1.278989     -0.368433
  H     -11.176383      2.372102     -0.778902
  H     -12.364900      2.880917      0.427727
  H     -10.083086      3.909985      0.532216
  H      -8.336241      5.178901      1.773290
  H      -6.508662      1.974722      7.098089
  H      -9.713027      0.678496      3.372997
  N      -2.193874      1.493038      2.746511
  H      -1.640887      0.637228      2.645970
  H      -1.566676      2.286182      2.587257
  H      -2.869360      1.503543      1.959899
90
Coordinates from ORCA-job orca E -6670.657595568464
  N      -2.000723      0.030937      5.343881
  Mo     -3.184845      1.640698      4.826826
  N      -4.565814      1.916161      6.369403
  C      -4.083623      2.360005      7.679008
  C      -2.621147      1.985725      7.773857
  N      -1.909908      2.339099      6.500349
  C      -0.610497      1.595094      6.443198
  C      -0.863297      0.099392      6.234815
  C      -1.654074      3.817736      6.380905
  C      -2.743294      4.512157      5.584806
  N      -3.057239      3.653175      4.443300
  H       0.036419     -0.355146      5.788205
  H      -1.058668     -0.428802      7.182439
  H      -0.064223      1.993288      5.578388
  H      -0.011779      1.784801      7.350811
  H      -3.653529      4.691385      6.177293
  H      -2.393205      5.498898      5.244289
  H      -1.536307      4.256615      7.384000
  H      -0.700039      3.932640      5.849768
  H      -4.641858      1.878882      8.500201
  H      -4.213802      3.449003      7.801691
  H      -2.535682      0.899620      7.904051
  H      -2.117948      2.475924      8.623395
  C      -6.255363      2.157552     -0.762646
  C      -5.456023      1.477651      0.315251
  O      -4.264286      1.755746      0.487237
  C      -6.133325      0.478929      1.189346
  C      -7.415700     -0.048523      0.959724
  C      -7.953737     -0.983948      1.838085
  C      -7.223603     -1.379995      2.959082
  F      -7.795336     -2.259720      3.797627
  C      -5.941986     -0.870827      3.232767
  C      -5.075965     -1.310439      4.365524
  O      -5.248210     -2.361428      4.981704
  N      -3.990201     -0.456284      4.592785
  C      -2.926862     -0.917314      5.268418
  C      -5.437418      0.050037      2.318225
  C      -9.175300     10.089656      0.520014
  C      -8.481785      8.746958      0.607083
  O      -8.908456      7.780253     -0.021542
  C      -7.283394      8.623462      1.488442
  C      -6.843747      9.668240      2.321225
  C      -5.737570      9.481107      3.141738
  C      -5.076927      8.251833      3.144771
  F      -3.997779      8.161979      3.951816
  C      -5.481660      7.175833      2.335838
  C      -4.880512      5.793401      2.287664
  O      -5.130463      5.072162      1.305218
  N      -4.149549      5.438632      3.400961
  C      -3.729303      4.182208      3.413439
  C      -6.581599      7.414660      1.503616
  C     -11.819607      1.947685     -0.006209
  C     -11.016824      1.320595      1.112341
  O     -11.188953      0.142145      1.423534
  C     -10.011609      2.160452      1.823441
  C      -9.624201      3.428407      1.353063
  C      -8.644206      4.157180      2.016289
  C      -8.046371      3.606899      3.148062
  F      -7.137329      4.357770      3.799978
  C      -8.394780      2.344191      3.650372
  C      -7.766774      1.733404      4.876365
  O      -8.468434      1.092684      5.669984
  N      -6.407283      1.926839      4.965493
  C      -5.884548      1.928499      6.177522
  C      -9.405807      1.652640      2.982059
  H      -7.079847      2.723440     -0.301858
  H      -5.611033      2.842780     -1.322254
  H      -6.707300      1.420743     -1.443592
  H      -8.002858      0.267186      0.097093
  H      -8.956430     -1.388046      1.698238
  H      -2.876381     -1.904734      5.748092
  H      -4.443826      0.445460      2.488249
  H      -9.554431     10.392974      1.507954
  H      -8.479949     10.874324      0.185492
  H     -10.012730     10.016149     -0.181929
  H      -7.360120     10.628268      2.335553
  H      -5.364921     10.275183      3.789969
  H      -3.949706      3.502664      2.575050
  H      -6.889091      6.603479      0.843030
  H     -12.525058      1.210276     -0.402868
  H     -11.165512      2.301567     -0.817293
  H     -12.369340      2.825761      0.366682
  H     -10.085642      3.859282      0.464227
  H      -8.338849      5.148165      1.680811
  H      -6.530728      2.015199      7.069494
  H      -9.720211      0.682101      3.364701
  N      -2.210542      1.502529      2.743248
  H      -1.661690      0.645049      2.635189
  H      -1.582170      2.294806      2.583376
  H      -2.890611      1.519982      1.960630
90
Coordinates from ORCA-job orca E -6670.657454433933
  N      -2.000546      0.055556      5.322368
  Mo     -3.190103      1.661802      4.820486
  N      -4.576266      1.926566      6.365416
  C      -4.095197      2.352932      7.682519
  C      -2.631492      1.982648      7.769658
  N      -1.918328      2.351363      6.502423
  C      -0.615678      1.608868      6.440673
  C      -0.865304      0.116434      6.217710
  C      -1.662970      3.833604      6.393139
  C      -2.753172      4.528054      5.597529
  N      -3.053969      3.670491      4.451306
  H       0.035071     -0.331157      5.765137
  H      -1.060399     -0.423701      7.158320
  H      -0.074711      2.017427      5.577717
  H      -0.019046      1.793630      7.350240
  H      -3.667829      4.701530      6.184352
  H      -2.405272      5.516543      5.259712
  H      -1.542072      4.264041      7.399167
  H      -0.711237      3.945469      5.857532
  H      -4.648120      1.854901      8.496556
  H      -4.229198      3.439320      7.816661
  H      -2.548443      0.893990      7.879607
  H      -2.128923      2.458355      8.627612
  C      -6.336440      2.249871     -0.699818
  C      -5.502645      1.540484      0.330420
  O      -4.311606      1.828589      0.490240
  C      -6.146615      0.502146      1.183152
  C      -7.409450     -0.059220      0.931624
  C      -7.926773     -1.027850      1.786908
  C      -7.195639     -1.423503      2.906069
  F      -7.750497     -2.331931      3.723689
  C      -5.931557     -0.879584      3.200666
  C      -5.067204     -1.314785      4.338661
  O      -5.228203     -2.370606      4.948652
  N      -3.989913     -0.450830      4.573353
  C      -2.922060     -0.902233      5.246059
  C      -5.444649      0.068039      2.304907
  C      -9.005576     10.230645      0.444423
  C      -8.353463      8.868425      0.543732
  O      -8.764792      7.925757     -0.130680
  C      -7.197084      8.702715      1.472501
  C      -6.778302      9.716213      2.353003
  C      -5.710092      9.491859      3.212847
  C      -5.065012      8.255440      3.205427
  F      -4.032081      8.115216      4.062897
  C      -5.447143      7.210373      2.346077
  C      -4.847414      5.828660      2.277851
  O      -5.074730      5.132059      1.275045
  N      -4.134306      5.459888      3.400826
  C      -3.719117      4.200616      3.419291
  C      -6.510343      7.484277      1.478527
  C     -11.866566      1.738269      0.040444
  C     -11.088911      1.170106      1.209420
  O     -11.280351      0.014314      1.584315
  C     -10.077324      2.040132      1.875125
  C      -9.702168      3.291575      1.355376
  C      -8.720843      4.050905      1.984077
  C      -8.099085      3.540652      3.120565
  F      -7.176725      4.316589      3.726828
  C      -8.435965      2.294615      3.670390
  C      -7.778988      1.719284      4.897491
  O      -8.462314      1.077563      5.707420
  N      -6.418930      1.925728      4.960186
  C      -5.892683      1.940249      6.172940
  C      -9.455374      1.580220      3.042449
  H      -7.157548      2.785283     -0.196995
  H      -5.717205      2.968620     -1.244623
  H      -6.795322      1.536281     -1.400618
  H      -8.006491      0.264794      0.079097
  H      -8.913314     -1.455912      1.616096
  H      -2.867949     -1.888815      5.726626
  H      -4.461897      0.483037      2.493141
  H      -9.432880     10.527279      1.414715
  H      -8.268621     10.999429      0.167680
  H      -9.801746     10.193324     -0.306401
  H      -7.285080     10.681187      2.375783
  H      -5.360488     10.260849      3.902353
  H      -3.949588      3.519511      2.584772
  H      -6.804571      6.699579      0.782545
  H     -12.587629      0.991582     -0.308494
  H     -11.189156      2.004479     -0.785644
  H     -12.394705      2.658756      0.329815
  H     -10.174403      3.684339      0.454389
  H      -8.433707      5.031059      1.608126
  H      -6.545384      2.028263      7.059758
  H      -9.759749      0.622355      3.464763
  N      -2.226983      1.552030      2.724240
  H      -1.677557      0.696618      2.607512
  H      -1.604307      2.349604      2.566364
  H      -2.908426      1.579949      1.943658
90
Coordinates from ORCA-job orca E -6670.657686562738
  N      -2.001924      0.041708      5.348844
  Mo     -3.180475      1.649977      4.823968
  N      -4.577084      1.931655      6.353278
  C      -4.106591      2.369631      7.669800
  C      -2.645122      1.994657      7.775260
  N      -1.920538      2.348975      6.509897
  C      -0.621040      1.601628      6.464696
  C      -0.874345      0.107382      6.253448
  C      -1.658530      3.828014      6.391957
  C      -2.738350      4.522692      5.582921
  N      -3.038337      3.659263      4.440487
  H       0.029126     -0.348179      5.815226
  H      -1.080634     -0.422365      7.197753
  H      -0.069357      1.999530      5.603366
  H      -0.029832      1.790862      7.377129
  H      -3.655094      4.707370      6.163192
  H      -2.381476      5.506314      5.240552
  H      -1.545856      4.265834      7.395881
  H      -0.700642      3.935644      5.866359
  H      -4.670220      1.884050      8.484434
  H      -4.238325      3.457910      7.793623
  H      -2.564840      0.907328      7.899925
  H      -2.149185      2.479504      8.632044
  C      -6.346334      2.242380     -0.684921
  C      -5.517514      1.537175      0.352720
  O      -4.325269      1.821470      0.510586
  C      -6.170148      0.514182      1.216871
  C      -7.449644     -0.020361      0.990511
  C      -7.971286     -0.976147      1.857272
  C      -7.226850     -1.385702      2.963084
  F      -7.784256     -2.281435      3.793502
  C      -5.947152     -0.868192      3.233763
  C      -5.073392     -1.311806      4.360469
  O      -5.244110     -2.360294      4.980182
  N      -3.988081     -0.454775      4.586046
  C      -2.927849     -0.909964      5.270130
  C      -5.457777      0.069777      2.328800
  C      -9.174457     10.071653      0.601306
  C      -8.473867      8.732257      0.678763
  O      -8.908546      7.761041      0.061956
  C      -7.247122      8.621525      1.521321
  C      -6.791504      9.668449      2.342580
  C      -5.657424      9.492762      3.126820
  C      -4.986390      8.270115      3.106714
  F      -3.880277      8.181260      3.876412
  C      -5.403952      7.194137      2.305346
  C      -4.780419      5.823735      2.235236
  O      -4.977627      5.132167      1.222006
  N      -4.094243      5.451807      3.372659
  C      -3.687001      4.190561      3.398107
  C      -6.529882      7.421198      1.506913
  C     -11.829030      1.840405     -0.034211
  C     -11.039401      1.247050      1.112951
  O     -11.224908      0.082336      1.463927
  C     -10.027499      2.102869      1.795079
  C      -9.643724      3.359529      1.292994
  C      -8.658376      4.102841      1.932996
  C      -8.047311      3.576462      3.068735
  F      -7.123416      4.339479      3.687417
  C      -8.395945      2.327392      3.604500
  C      -7.760888      1.739111      4.836815
  O      -8.461017      1.100669      5.634896
  N      -6.402077      1.940231      4.926518
  C      -5.892041      1.949128      6.145749
  C      -9.413990      1.624064      2.960346
  H      -7.166028      2.784999     -0.188088
  H      -5.722359      2.952633     -1.236025
  H      -6.807124      1.523622     -1.379001
  H      -8.053371      0.312801      0.146196
  H      -8.971844     -1.383314      1.712986
  H      -2.883516     -1.894015      5.756923
  H      -4.465683      0.469491      2.498051
  H      -9.532469     10.378906      1.595970
  H      -8.487213     10.855471      0.249081
  H     -10.026515      9.992284     -0.081994
  H      -7.318553     10.622118      2.376397
  H      -5.273807     10.290292      3.764013
  H      -3.907412      3.509555      2.561033
  H      -6.849561      6.612698      0.850324
  H     -12.546303      1.098414     -0.400520
  H     -11.162718      2.141008     -0.857193
  H     -12.363493      2.745756      0.290987
  H     -10.111359      3.768843      0.397150
  H      -8.363252      5.087032      1.571557
  H      -6.552330      2.041724      7.026523
  H      -9.726069      0.663056      3.369477
  N      -2.198869      1.509502      2.741641
  H      -1.648514      0.652338      2.641080
  H      -1.573069      2.303348      2.577911
  H      -2.874748      1.524594      1.955488
90
Coordinates from ORCA-job orca E -6670.654189698079
  N      -2.031966     -0.000845      5.386482
  Mo     -3.187835      1.620714      4.839504
  N      -4.568949      1.938684      6.373432
  C      -4.085630      2.391683      7.679717
  C      -2.628875      2.000207      7.784987
  N      -1.907881      2.323579      6.507906
  C      -0.621012      1.558640      6.468672
  C      -0.898146      0.063237      6.282972
  C      -1.627809      3.794685      6.370169
  C      -2.702057      4.496547      5.560553
  N      -3.028042      3.628938      4.427069
  H      -0.002581     -0.413952      5.851712
  H      -1.109466     -0.446061      7.237828
  H      -0.063240      1.932852      5.600234
  H      -0.023082      1.753297      7.375936
  H      -3.611441      4.695964      6.148098
  H      -2.335685      5.473637      5.211002
  H      -1.508014      4.242713      7.368924
  H      -0.669587      3.892362      5.842407
  H      -4.654333      1.929607      8.504726
  H      -4.202080      3.484458      7.789302
  H      -2.558628      0.914845      7.934832
  H      -2.122046      2.497940      8.628151
  C      -5.923692      2.014359     -0.905911
  C      -5.214051      1.330108      0.231268
  O      -4.012026      1.532029      0.435026
  C      -5.993694      0.435239      1.131114
  C      -7.313345      0.005687      0.901856
  C      -7.940553     -0.841751      1.811742
  C      -7.258612     -1.254344      2.957248
  F      -7.911716     -2.048138      3.822352
  C      -5.945848     -0.838017      3.232777
  C      -5.128593     -1.288164      4.395398
  O      -5.359294     -2.311836      5.037823
  N      -4.021128     -0.463080      4.624035
  C      -2.972125     -0.932857      5.318738
  C      -5.356160      0.005721      2.294126
  C      -9.552367      9.616676      0.724186
  C      -8.731798      8.345335      0.774675
  O      -9.121899      7.325783      0.209143
  C      -7.455027      8.354845      1.548251
  C      -7.039000      9.459492      2.311835
  C      -5.855538      9.394514      3.040105
  C      -5.097271      8.223297      3.023788
  F      -3.939104      8.254608      3.719543
  C      -5.470721      7.095514      2.273622
  C      -4.761542      5.766552      2.211099
  O      -4.921471      5.058363      1.201695
  N      -4.075755      5.420114      3.351530
  C      -3.672918      4.159816      3.381515
  C      -6.649388      7.212390      1.529815
  C     -11.851042      2.379756      0.018798
  C     -11.068438      1.688510      1.112467
  O     -11.300857      0.515944      1.408461
  C     -10.007928      2.453333      1.824832
  C      -9.548633      3.703344      1.368418
  C      -8.509735      4.354153      2.022794
  C      -7.936633      3.752063      3.141610
  F      -6.968224      4.432935      3.783439
  C      -8.360446      2.508182      3.635141
  C      -7.766822      1.844063      4.850462
  O      -8.500523      1.238198      5.641914
  N      -6.403099      1.991303      4.960146
  C      -5.887761      1.975178      6.174551
  C      -9.417823      1.887631      2.966835
  H      -6.725081      2.654613     -0.505342
  H      -5.210710      2.627413     -1.467581
  H      -6.398708      1.279178     -1.572395
  H      -7.858719      0.328554      0.014903
  H      -8.978958     -1.156338      1.682037
  H      -2.940127     -1.913206      5.814375
  H      -4.337888      0.330836      2.466263
  H      -9.873557      9.909269      1.735599
  H      -8.962490     10.452101      0.318445
  H     -10.435709      9.450597      0.098224
  H      -7.633364     10.372737      2.343964
  H      -5.497950     10.241364      3.627164
  H      -3.899925      3.475916      2.549346
  H      -6.942405      6.356943      0.918962
  H     -12.607861      1.692391     -0.373592
  H     -11.192357      2.703237     -0.800889
  H     -12.337945      3.284996      0.414219
  H      -9.994465      4.177716      0.494406
  H      -8.141597      5.328822      1.692582
  H      -6.535347      2.084118      7.063160
  H      -9.785275      0.931609      3.340194
  N      -2.197936      1.421746      2.771637
  H      -1.657758      0.555180      2.690719
  H      -1.557350      2.200420      2.594801
  H      -2.872373      1.422297      1.983795
90
Coordinates from ORCA-job orca E -6670.657432234759
  N      -2.002259      0.035484      5.362651
  Mo     -3.180493      1.645416      4.834442
  N      -4.584379      1.909737      6.358762
  C      -4.122516      2.347529      7.678195
  C      -2.660014      1.979998      7.791980
  N      -1.930565      2.338589      6.530172
  C      -0.630033      1.595016      6.491048
  C      -0.880170      0.100163      6.273814
  C      -1.672189      3.817117      6.421587
  C      -2.749592      4.515245      5.613258
  N      -3.048324      3.660426      4.463595
  H       0.027304     -0.353431      5.841955
  H      -1.092733     -0.431867      7.215663
  H      -0.070998      1.995627      5.635492
  H      -0.045417      1.782366      7.408284
  H      -3.668305      4.692802      6.193149
  H      -2.394042      5.502680      5.281345
  H      -1.567536      4.249223      7.428958
  H      -0.711228      3.935136      5.903480
  H      -4.689276      1.858066      8.488452
  H      -4.260911      3.435308      7.805477
  H      -2.573354      0.893446      7.920705
  H      -2.171151      2.469637      8.650204
  C      -6.119911      2.190233     -0.809534
  C      -5.343299      1.490491      0.272578
  O      -4.152988      1.758757      0.467914
  C      -6.042636      0.491559      1.128863
  C      -7.325883     -0.025264      0.877244
  C      -7.885204     -0.960715      1.743663
  C      -7.175790     -1.366762      2.873982
  F      -7.766409     -2.245585      3.700227
  C      -5.895804     -0.867528      3.170160
  C      -5.055304     -1.310568      4.320699
  O      -5.240749     -2.362154      4.931658
  N      -3.974125     -0.456539      4.571195
  C      -2.922405     -0.915281      5.266585
  C      -5.368511      0.052734      2.267436
  C      -9.195133      9.991628      0.520478
  C      -8.460681      8.670460      0.601878
  O      -8.873454      7.685642     -0.007906
  C      -7.244801      8.586664      1.463450
  C      -6.815460      9.650224      2.276874
  C      -5.689521      9.500605      3.079158
  C      -5.003827      8.285671      3.087688
  F      -3.899635      8.228943      3.863876
  C      -5.397932      7.193027      2.296823
  C      -4.763143      5.826207      2.252564
  O      -4.919929      5.133427      1.232892
  N      -4.098464      5.458151      3.400597
  C      -3.690162      4.198355      3.420427
  C      -6.512043      7.395733      1.476663
  C     -12.044674      1.980631      0.163219
  C     -11.190889      1.344486      1.238043
  O     -11.357488      0.167355      1.557502
  C     -10.141706      2.172007      1.896746
  C      -9.765627      3.436552      1.408393
  C      -8.737625      4.148651      2.014976
  C      -8.086101      3.590212      3.112981
  F      -7.122224      4.326315      3.700271
  C      -8.430858      2.335498      3.640526
  C      -7.775581      1.718961      4.849832
  O      -8.465448      1.080589      5.655818
  N      -6.417308      1.924209      4.935058
  C      -5.901017      1.920495      6.150697
  C      -9.481788      1.656302      3.021929
  H      -6.949430      2.755944     -0.356288
  H      -5.460879      2.878979     -1.348049
  H      -6.563982      1.465819     -1.508638
  H      -7.896902      0.297879      0.006667
  H      -8.891363     -1.353626      1.586733
  H      -2.877618     -1.904111      5.743994
  H      -4.375162      0.440480      2.455912
  H      -9.567840     10.288428      1.512834
  H      -8.526059     10.793338      0.174018
  H     -10.040398      9.891715     -0.168677
  H      -7.353845     10.598119      2.288063
  H      -5.322278     10.313794      3.706367
  H      -3.900171      3.523390      2.575705
  H      -6.809604      6.573545      0.824610
  H     -12.783251      1.252872     -0.188702
  H     -11.429187      2.314520     -0.685751
  H     -12.557200      2.871929      0.556840
  H     -10.269976      3.875492      0.547518
  H      -8.440637      5.137238      1.661109
  H      -6.557300      1.999127      7.035980
  H      -9.789849      0.691281      3.424317
  N      -2.167796      1.508950      2.769809
  H      -1.611789      0.654129      2.677019
  H      -1.541035      2.303508      2.614738
  H      -2.833580      1.516249      1.974943
90
Coordinates from ORCA-job orca E -6670.656267918102
  N      -2.022271      0.042230      5.372836
  Mo     -3.168979      1.662961      4.825581
  N      -4.576558      1.981391      6.339303
  C      -4.111067      2.418056      7.658596
  C      -2.655749      2.023553      7.778084
  N      -1.912909      2.356332      6.517573
  C      -0.625420      1.584485      6.490001
  C      -0.902645      0.094559      6.288525
  C      -1.622666      3.830882      6.387757
  C      -2.684630      4.535180      5.562342
  N      -2.986832      3.663483      4.426925
  H      -0.003840     -0.380239      5.861152
  H      -1.126781     -0.425035      7.234120
  H      -0.062404      1.965896      5.628851
  H      -0.038470      1.771340      7.405384
  H      -3.603616      4.742156      6.131089
  H      -2.308354      5.508169      5.210065
  H      -1.507130      4.275020      7.388422
  H      -0.660411      3.912097      5.865765
  H      -4.687096      1.943534      8.470838
  H      -4.228592      3.508028      7.773692
  H      -2.594557      0.935974      7.908776
  H      -2.160895      2.506033      8.636592
  C      -6.464206      2.224052     -0.675144
  C      -5.608403      1.523299      0.342204
  O      -4.409751      1.798839      0.462563
  C      -6.239286      0.505336      1.227627
  C      -7.524108     -0.024749      1.028162
  C      -8.034579     -0.971192      1.911268
  C      -7.274214     -1.371493      3.008687
  F      -7.821744     -2.255976      3.856530
  C      -5.987649     -0.855224      3.253812
  C      -5.106885     -1.289902      4.381109
  O      -5.276285     -2.334221      5.007003
  N      -4.012677     -0.439986      4.599373
  C      -2.963797     -0.899490      5.296298
  C      -5.507198      0.065625      2.328080
  C      -9.262591      9.946760      0.759453
  C      -8.508824      8.635132      0.789466
  O      -8.914133      7.663908      0.151899
  C      -7.252287      8.557331      1.589598
  C      -6.814707      9.599293      2.427233
  C      -5.652989      9.450131      3.175586
  C      -4.935863      8.257032      3.101484
  F      -3.814005      8.172479      3.848314
  C      -5.332971      7.189079      2.282168
  C      -4.652683      5.850971      2.171291
  O      -4.818271      5.184690      1.137149
  N      -3.999153      5.465238      3.326803
  C      -3.609334      4.196825      3.370995
  C      -6.487691      7.387631      1.519967
  C     -11.770629      1.806037     -0.101778
  C     -10.994761      1.254338      1.076402
  O     -11.189202      0.104780      1.468003
  C      -9.981923      2.132980      1.729213
  C      -9.587744      3.365892      1.180243
  C      -8.603522      4.129340      1.799092
  C      -7.996542      3.642819      2.954152
  F      -7.060872      4.422392      3.537444
  C      -8.361345      2.421000      3.539312
  C      -7.745410      1.872589      4.798099
  O      -8.458548      1.224791      5.578599
  N      -6.380796      2.034639      4.887680
  C      -5.885765      2.034646      6.114497
  C      -9.380998      1.701845      2.916477
  H      -7.267110      2.772884     -0.157514
  H      -5.855972      2.930037     -1.247436
  H      -6.948263      1.503598     -1.351722
  H      -8.142894      0.305713      0.193709
  H      -9.035217     -1.377416      1.777460
  H      -2.942435     -1.876804      5.797693
  H      -4.509494      0.458665      2.477309
  H      -9.609746     10.216753      1.768756
  H      -8.613346     10.764460      0.411620
  H     -10.125639      9.849242      0.092799
  H      -7.380188     10.528102      2.504078
  H      -5.287054     10.244366      3.826714
  H      -3.831788      3.511657      2.537909
  H      -6.795584      6.587617      0.849575
  H     -12.492712      1.055334     -0.440301
  H     -11.090264      2.056225     -0.930814
  H     -12.296919      2.732373      0.170343
  H     -10.048037      3.741128      0.265376
  H      -8.308654      5.096604      1.400185
  H      -6.558733      2.152040      6.982608
  H      -9.701480      0.760183      3.362808
  N      -2.169995      1.489915      2.751099
  H      -1.635481      0.621494      2.668333
  H      -1.528971      2.270951      2.582500
  H      -2.834657      1.512373      1.956100
90
Coordinates from ORCA-job orca E -6670.657981573552
  N      -2.010910      0.038464      5.364300
  Mo     -3.172455      1.655595      4.830637
  N      -4.579957      1.946049      6.349764
  C      -4.116714      2.376745      7.671768
  C      -2.658384      1.993098      7.786875
  N      -1.920245      2.342920      6.528043
  C      -0.626316      1.584650      6.494043
  C      -0.890336      0.093019      6.278492
  C      -1.645315      3.819951      6.413702
  C      -2.713456      4.522878      5.596292
  N      -3.009447      3.662991      4.449696
  H       0.012786     -0.369732      5.847168
  H      -1.109462     -0.436660      7.219931
  H      -0.064561      1.978749      5.637485
  H      -0.042481      1.769252      7.412020
  H      -3.634881      4.710558      6.168338
  H      -2.348369      5.505143      5.259163
  H      -1.537114      4.254509      7.419433
  H      -0.683055      3.920624      5.894670
  H      -4.689107      1.890954      8.479843
  H      -4.242795      3.465563      7.796926
  H      -2.587375      0.904917      7.910566
  H      -2.165859      2.473377      8.648148
  C      -6.194468      2.170616     -0.794852
  C      -5.402513      1.467878      0.273028
  O      -4.202554      1.713683      0.436103
  C      -6.096642      0.487917      1.154596
  C      -7.388726     -0.015654      0.926375
  C      -7.947397     -0.934317      1.811112
  C      -7.226964     -1.338147      2.934613
  F      -7.817567     -2.199876      3.777795
  C      -5.936478     -0.849563      3.207247
  C      -5.085284     -1.293589      4.350468
  O      -5.274961     -2.336737      4.973913
  N      -3.993628     -0.447258      4.584100
  C      -2.942554     -0.907166      5.278406
  C      -5.410657      0.051609      2.285875
  C      -9.256044      9.916041      0.615239
  C      -8.501958      8.605640      0.684074
  O      -8.899075      7.620407      0.063829
  C      -7.266301      8.541023      1.518052
  C      -6.849211      9.599604      2.344251
  C      -5.706711      9.464700      3.125114
  C      -4.989971      8.268864      3.096393
  F      -3.883185      8.210369      3.868078
  C      -5.368306      7.183230      2.289312
  C      -4.695671      5.836702      2.214257
  O      -4.836153      5.160944      1.182099
  N      -4.038800      5.463764      3.368041
  C      -3.636966      4.200720      3.398800
  C      -6.502268      7.369437      1.493328
  C     -11.953350      1.963024      0.067808
  C     -11.138917      1.353287      1.188964
  O     -11.329156      0.189576      1.539954
  C     -10.093598      2.191068      1.842651
  C      -9.708911      3.445449      1.336215
  C      -8.691203      4.169849      1.947215
  C      -8.048459      3.627006      3.057437
  F      -7.084235      4.370239      3.638471
  C      -8.404802      2.384221      3.603840
  C      -7.760372      1.783560      4.825612
  O      -8.459238      1.144780      5.624685
  N      -6.399476      1.976130      4.912350
  C      -5.893088      1.978742      6.133502
  C      -9.451319      1.698576      2.986199
  H      -7.003533      2.752822     -0.326165
  H      -5.539623      2.845475     -1.354632
  H      -6.668104      1.449110     -1.477450
  H      -7.971417      0.309266      0.064305
  H      -8.955884     -1.319892      1.661004
  H      -2.909886     -1.889758      5.769174
  H      -4.407885      0.423514      2.456405
  H      -9.624147     10.203377      1.612206
  H      -8.600973     10.728468      0.266474
  H     -10.105547      9.806382     -0.067011
  H      -7.414122     10.531049      2.386057
  H      -5.354464     10.273218      3.766441
  H      -3.854269      3.521600      2.559617
  H      -6.793945      6.553813      0.832331
  H     -12.696273      1.234511     -0.273770
  H     -11.305626      2.245111     -0.776469
  H     -12.458330      2.880790      0.404119
  H     -10.200515      3.867274      0.459208
  H      -8.395619      5.152469      1.580192
  H      -6.558768      2.075130      7.009848
  H      -9.765243      0.741151      3.402720
  N      -2.168378      1.506225      2.759168
  H      -1.625378      0.643293      2.668255
  H      -1.532735      2.293184      2.599538
  H      -2.833232      1.525539      1.964452
90
Coordinates from ORCA-job orca E -6670.657727530457
  N      -2.023862      0.026984      5.386010
  Mo     -3.176117      1.646104      4.834077
  N      -4.588319      1.948636      6.342944
  C      -4.131287      2.392937      7.662003
  C      -2.674432      2.006806      7.790894
  N      -1.929321      2.341137      6.531654
  C      -0.639228      1.577421      6.510539
  C      -0.908914      0.084791      6.306631
  C      -1.646669      3.814536      6.408198
  C      -2.707530      4.518897      5.583570
  N      -3.008712      3.653842      4.442451
  H      -0.004687     -0.386216      5.886709
  H      -1.136815     -0.434967      7.251648
  H      -0.068809      1.960947      5.654752
  H      -0.058447      1.765484      7.429982
  H      -3.627906      4.719670      6.153108
  H      -2.333408      5.495562      5.240065
  H      -1.540695      4.256423      7.411115
  H      -0.681042      3.909090      5.894235
  H      -4.709942      1.918325      8.472733
  H      -4.256981      3.483254      7.776902
  H      -2.604532      0.920548      7.930319
  H      -2.186146      2.497967      8.648495
  C      -6.207084      2.266466     -0.720810
  C      -5.419032      1.582691      0.362716
  O      -4.246393      1.900278      0.588761
  C      -6.094135      0.544716      1.191147
  C      -7.367368      0.012645      0.924501
  C      -7.915540     -0.947387      1.770483
  C      -7.203804     -1.363963      2.895315
  F      -7.784330     -2.264789      3.704470
  C      -5.930837     -0.852389      3.203285
  C      -5.091348     -1.296677      4.353907
  O      -5.274873     -2.349476      4.962796
  N      -3.999102     -0.452129      4.590046
  C      -2.956628     -0.914237      5.296094
  C      -5.413530      0.090590      2.319220
  C      -9.316977      9.825949      0.700976
  C      -8.526769      8.535876      0.738345
  O      -8.942884      7.529209      0.166581
  C      -7.257223      8.503069      1.521013
  C      -6.820467      9.580725      2.312112
  C      -5.646575      9.471251      3.049941
  C      -4.922409      8.279650      3.018451
  F      -3.777301      8.247092      3.734971
  C      -5.319974      7.177679      2.245630
  C      -4.640058      5.835431      2.177439
  O      -4.726864      5.176294      1.128078
  N      -4.014844      5.458394      3.346417
  C      -3.624170      4.192757      3.384674
  C      -6.480475      7.340581      1.485096
  C     -12.003505      1.980666      0.085231
  C     -11.160426      1.360934      1.178528
  O     -11.348060      0.196691      1.530773
  C     -10.098636      2.190981      1.814508
  C      -9.701996      3.435344      1.291614
  C      -8.667857      4.150195      1.884316
  C      -8.025296      3.611835      2.997851
  F      -7.048280      4.348473      3.564364
  C      -8.393382      2.380255      3.561462
  C      -7.757336      1.787300      4.791645
  O      -8.465767      1.167163      5.597026
  N      -6.397743      1.978397      4.892026
  C      -5.900555      1.982956      6.116891
  C      -9.453734      1.701523      2.958409
  H      -7.074326      2.777126     -0.273766
  H      -5.574342      3.000001     -1.230459
  H      -6.599233      1.536119     -1.444355
  H      -7.944856      0.351170      0.064021
  H      -8.913248     -1.352522      1.598332
  H      -2.930800     -1.896049      5.789052
  H      -4.426218      0.489225      2.518864
  H      -9.633002     10.115226      1.715043
  H      -8.705138     10.650553      0.305781
  H     -10.202303      9.687305      0.071528
  H      -7.392325     10.507754      2.357947
  H      -5.274752     10.296513      3.658285
  H      -3.836450      3.512820      2.544612
  H      -6.783656      6.513308      0.844532
  H     -12.758749      1.258175     -0.241453
  H     -11.381243      2.270580     -0.775149
  H     -12.495011      2.896364      0.447569
  H     -10.197653      3.857718      0.417293
  H      -8.364159      5.126533      1.505978
  H      -6.570087      2.084108      6.989740
  H      -9.778554      0.754369      3.388750
  N      -2.160436      1.469989      2.773013
  H      -1.614672      0.607230      2.696708
  H      -1.525141      2.255195      2.604349
  H      -2.823124      1.473083      1.976324
90
Coordinates from ORCA-job orca E -6670.658196405147
  N      -2.056485      0.028028      5.377498
  Mo     -3.183242      1.666464      4.831471
  N      -4.584508      1.997871      6.347051
  C      -4.113403      2.429314      7.665742
  C      -2.664296      2.012024      7.785870
  N      -1.916949      2.336142      6.525528
  C      -0.639497      1.551178      6.499018
  C      -0.934343      0.064194      6.290532
  C      -1.610664      3.805543      6.404346
  C      -2.660667      4.526941      5.580533
  N      -2.975077      3.668687      4.437573
  H      -0.041009     -0.419299      5.861689
  H      -1.164121     -0.455921      7.234860
  H      -0.066042      1.928648      5.642612
  H      -0.054766      1.728353      7.417938
  H      -3.579038      4.738001      6.149695
  H      -2.273094      5.499383      5.240153
  H      -1.498429      4.243283      7.408281
  H      -0.644100      3.884961      5.889618
  H      -4.698405      1.963273      8.476408
  H      -4.214179      3.521934      7.782629
  H      -2.617928      0.923518      7.918698
  H      -2.161537      2.487789      8.643796
  C      -6.188971      2.203326     -0.793688
  C      -5.412594      1.506827      0.290385
  O      -4.216105      1.755706      0.472595
  C      -6.121103      0.529704      1.162904
  C      -7.415466      0.036579      0.924258
  C      -7.989940     -0.874133      1.806625
  C      -7.283775     -1.279541      2.938857
  F      -7.890316     -2.131753      3.780643
  C      -5.991304     -0.802538      3.220884
  C      -5.155703     -1.246653      4.374223
  O      -5.363227     -2.283577      5.002960
  N      -4.047570     -0.420598      4.601096
  C      -3.007143     -0.897120      5.299142
  C      -5.449143      0.091742      2.301970
  C      -9.361797      9.754804      0.771702
  C      -8.537141      8.486266      0.796314
  O      -8.927684      7.473281      0.217434
  C      -7.262822      8.482307      1.571863
  C      -6.857404      9.560059      2.378752
  C      -5.678538      9.475663      3.112022
  C      -4.917805      8.307930      3.059945
  F      -3.771953      8.298721      3.775513
  C      -5.282451      7.206776      2.269474
  C      -4.563520      5.885849      2.176286
  O      -4.629186      5.246680      1.113960
  N      -3.953681      5.490888      3.347289
  C      -3.580077      4.219383      3.380033
  C      -6.449958      7.345499      1.514601
  C     -11.928789      1.904270      0.030737
  C     -11.107253      1.319291      1.159449
  O     -11.294939      0.163743      1.538371
  C     -10.064206      2.173685      1.794847
  C      -9.670651      3.410480      1.252721
  C      -8.653199      4.148270      1.847129
  C      -8.022201      3.638395      2.980112
  F      -7.059999      4.395268      3.545641
  C      -8.387942      2.415261      3.563053
  C      -7.760405      1.850649      4.810939
  O      -8.469627      1.234596      5.618504
  N      -6.399294      2.035307      4.906011
  C      -5.897058      2.045502      6.128887
  C      -9.432961      1.714740      2.958709
  H      -7.018114      2.771887     -0.343880
  H      -5.529276      2.887287     -1.336871
  H      -6.636132      1.476862     -1.488868
  H      -7.986854      0.363781      0.055402
  H      -9.002820     -1.247859      1.653861
  H      -2.993359     -1.876732      5.796944
  H      -4.446234      0.459653      2.481755
  H      -9.684166     10.025850      1.788839
  H      -8.773207     10.599470      0.383457
  H     -10.244023      9.597967      0.142154
  H      -7.458508     10.467358      2.441897
  H      -5.331690     10.302176      3.733137
  H      -3.806028      3.544462      2.539584
  H      -6.730827      6.519213      0.862542
  H     -12.669240      1.166051     -0.294844
  H     -11.287451      2.177055     -0.821174
  H     -12.437314      2.824421      0.355667
  H     -10.156040      3.809578      0.361836
  H      -8.352741      5.119213      1.452364
  H      -6.562527      2.157916      7.003420
  H      -9.755051      0.773200      3.403438
  N      -2.195690      1.475639      2.757540
  H      -1.669130      0.601894      2.671396
  H      -1.546487      2.248614      2.584883
  H      -2.867253      1.496287      1.968702
90
Coordinates from ORCA-job orca E -6670.657926429009
  N      -2.002284      0.029296      5.370545
  Mo     -3.143630      1.657968      4.829527
  N      -4.560656      1.960488      6.338633
  C      -4.103223      2.382887      7.665403
  C      -2.649778      1.984119      7.790665
  N      -1.897934      2.328816      6.538956
  C      -0.611322      1.558149      6.515952
  C      -0.888661      0.070009      6.294149
  C      -1.607504      3.803199      6.430207
  C      -2.661532      4.517598      5.604814
  N      -2.953092      3.663160      4.453088
  H       0.013150     -0.400777      5.868853
  H      -1.121029     -0.460012      7.232230
  H      -0.037068      1.948428      5.665906
  H      -0.035512      1.735304      7.440331
  H      -3.587588      4.711730      6.167339
  H      -2.284512      5.497584      5.274292
  H      -1.503573      4.234543      7.437755
  H      -0.640266      3.895048      5.918988
  H      -4.686262      1.899569      8.467240
  H      -4.219934      3.472458      7.792462
  H      -2.591071      0.894950      7.912374
  H      -2.159080      2.457455      8.656829
  C      -6.273435      2.203494     -0.777184
  C      -5.459210      1.495043      0.270041
  O      -4.252624      1.727627      0.399405
  C      -6.139623      0.519318      1.166124
  C      -7.442353      0.032287      0.967011
  C      -7.990893     -0.881917      1.861517
  C      -7.250160     -1.296334      2.967705
  F      -7.833079     -2.150349      3.823903
  C      -5.948391     -0.823034      3.213058
  C      -5.081691     -1.279539      4.340625
  O      -5.285472     -2.313780      4.974637
  N      -3.983626     -0.441716      4.575882
  C      -2.941040     -0.908788      5.277163
  C      -5.432607      0.073594      2.281223
  C      -9.352527      9.650726      0.568752
  C      -8.506676      8.397381      0.625272
  O      -8.787721      7.419716     -0.067125
  C      -7.303485      8.391468      1.507130
  C      -7.010986      9.432959      2.405341
  C      -5.895527      9.347860      3.231603
  C      -5.082261      8.216765      3.173910
  F      -4.009806      8.196018      3.994746
  C      -5.333248      7.153108      2.292863
  C      -4.547336      5.871930      2.184373
  O      -4.561001      5.254856      1.107493
  N      -3.952270      5.476163      3.363081
  C      -3.554448      4.211511      3.392625
  C      -6.443252      7.289081      1.455496
  C     -11.963659      2.133587      0.076177
  C     -11.164292      1.506990      1.199011
  O     -11.397698      0.356653      1.567610
  C     -10.074119      2.307661      1.825175
  C      -9.634740      3.530952      1.288040
  C      -8.577893      4.218879      1.874077
  C      -7.952137      3.670364      2.991597
  F      -6.949076      4.379343      3.549985
  C      -8.359767      2.457031      3.566296
  C      -7.732669      1.848895      4.793008
  O      -8.452038      1.250605      5.605230
  N      -6.368926      2.015775      4.887338
  C      -5.871375      2.008548      6.112335
  C      -9.444091      1.809461      2.972891
  H      -7.076590      2.778536     -0.290254
  H      -5.631245      2.883784     -1.345123
  H      -6.757210      1.484713     -1.455628
  H      -8.042098      0.368786      0.121197
  H      -9.009389     -1.248822      1.735969
  H      -2.920198     -1.890290      5.770918
  H      -4.422966      0.434445      2.430888
  H      -9.794407      9.862938      1.554357
  H      -8.743279     10.524618      0.293052
  H     -10.153518      9.511143     -0.164837
  H      -7.652897     10.311831      2.468901
  H      -5.640343     10.145218      3.930294
  H      -3.762543      3.537209      2.547441
  H      -6.640391      6.491927      0.739867
  H     -12.747274      1.436313     -0.238782
  H     -11.313791      2.361504     -0.782901
  H     -12.415822      3.083758      0.396606
  H     -10.115323      3.957989      0.407414
  H      -8.243871      5.179542      1.482912
  H      -6.542687      2.116400      6.982933
  H      -9.798986      0.877875      3.414149
  N      -2.127868      1.498971      2.764631
  H      -1.592193      0.630794      2.680163
  H      -1.484138      2.279634      2.606105
  H      -2.788228      1.522102      1.965622
90
Coordinates from ORCA-job orca E -6670.658385823704
  N      -2.042838      0.017675      5.362668
  Mo     -3.167579      1.661083      4.829675
  N      -4.562716      1.986397      6.353617
  C      -4.085001      2.406935      7.673732
  C      -2.635942      1.987781      7.784432
  N      -1.893212      2.318319      6.523236
  C      -0.617784      1.530251      6.488365
  C      -0.917999      0.045314      6.273040
  C      -1.583936      3.787949      6.408118
  C      -2.636675      4.515088      5.592687
  N      -2.952446      3.663057      4.445625
  H      -0.027586     -0.438760      5.838795
  H      -1.146835     -0.479258      7.215096
  H      -0.046551      1.910458      5.631669
  H      -0.029974      1.701507      7.406315
  H      -3.554103      4.722013      6.164824
  H      -2.250264      5.489693      5.257240
  H      -1.464071      4.220103      7.413567
  H      -0.620772      3.866611      5.887010
  H      -4.666252      1.934525      8.483359
  H      -4.185099      3.498549      7.798783
  H      -2.591030      0.898314      7.909572
  H      -2.128936      2.456948      8.643484
  C      -6.195916      2.244914     -0.776794
  C      -5.417604      1.539140      0.299737
  O      -4.219461      1.782514      0.478119
  C      -6.125773      0.560344      1.170972
  C      -7.423063      0.074105      0.935194
  C      -7.996751     -0.841130      1.813428
  C      -7.286135     -1.259499      2.938094
  F      -7.892038     -2.115696      3.776210
  C      -5.990261     -0.789641      3.217283
  C      -5.149316     -1.247266      4.362260
  O      -5.359749     -2.286320      4.986465
  N      -4.037673     -0.426630      4.590088
  C      -2.995076     -0.906837      5.282460
  C      -5.449680      0.110359      2.303010
  C      -9.364416      9.645298      0.600917
  C      -8.506953      8.399336      0.642823
  O      -8.804191      7.410748     -0.026966
  C      -7.297036      8.398290      1.515369
  C      -7.001339      9.442020      2.409895
  C      -5.880924      9.360486      3.230069
  C      -5.067073      8.229823      3.170931
  F      -3.988939      8.212773      3.984594
  C      -5.320791      7.164887      2.292501
  C      -4.537257      5.882258      2.185136
  O      -4.544188      5.268292      1.106347
  N      -3.939531      5.486574      3.361592
  C      -3.555856      4.218244      3.389621
  C      -6.434768      7.297671      1.460233
  C     -11.941051      2.024698      0.075379
  C     -11.140766      1.432487      1.215776
  O     -11.365282      0.289388      1.611706
  C     -10.066108      2.260169      1.833262
  C      -9.634035      3.474673      1.270426
  C      -8.588886      4.186821      1.848112
  C      -7.969212      3.672679      2.985482
  F      -6.979586      4.405929      3.535687
  C      -8.370416      2.469858      3.586915
  C      -7.749386      1.897861      4.834359
  O      -8.467132      1.296800      5.645822
  N      -6.383922      2.053088      4.920749
  C      -5.875463      2.047174      6.141148
  C      -9.442054      1.796175      2.998927
  H      -7.024419      2.809680     -0.321487
  H      -5.537340      2.933453     -1.315578
  H      -6.643922      1.524206     -1.477398
  H      -7.999070      0.412606      0.073814
  H      -9.012583     -1.206819      1.661663
  H      -2.981060     -1.887377      5.778455
  H      -4.444079      0.471073      2.480671
  H      -9.787144      9.856941      1.595081
  H      -8.768587     10.523325      0.309825
  H     -10.179770      9.497023     -0.114979
  H      -7.644603     10.319777      2.475694
  H      -5.622804     10.159842      3.925450
  H      -3.780764      3.545546      2.547617
  H      -6.634388      6.498579      0.746941
  H     -12.716648      1.312798     -0.226353
  H     -11.290084      2.238955     -0.786265
  H     -12.403469      2.977725      0.372334
  H     -10.110273      3.875473      0.375285
  H      -8.259400      5.140722      1.435391
  H      -6.536468      2.164613      7.018420
  H      -9.790943      0.871375      3.458830
  N      -2.180263      1.479521      2.753499
  H      -1.657580      0.603662      2.665848
  H      -1.527791      2.250314      2.583110
  H      -2.850733      1.506661      1.963754
90
Coordinates from ORCA-job orca E -6670.658396602300
  N      -2.060906      0.022842      5.377926
  Mo     -3.165532      1.675940      4.832217
  N      -4.574455      2.018013      6.338391
  C      -4.108227      2.435052      7.663345
  C      -2.665355      1.998895      7.791975
  N      -1.904444      2.322175      6.539696
  C      -0.635401      1.523735      6.519129
  C      -0.944793      0.041330      6.299108
  C      -1.580695      3.788741      6.429757
  C      -2.614454      4.525634      5.599554
  N      -2.924739      3.676730      4.448821
  H      -0.053810     -0.449212      5.873433
  H      -1.186863     -0.482126      7.238499
  H      -0.050046      1.899779      5.670153
  H      -0.057081      1.689195      7.444191
  H      -3.536953      4.743943      6.159371
  H      -2.212617      5.495686      5.268798
  H      -1.472587      4.220151      7.436899
  H      -0.608789      3.859772      5.924002
  H      -4.705023      1.970770      8.466399
  H      -4.197271      3.527886      7.786454
  H      -2.633645      0.909085      7.917824
  H      -2.163382      2.462437      8.657053
  C      -6.215065      2.250194     -0.792449
  C      -5.438645      1.558913      0.295122
  O      -4.245095      1.817605      0.482699
  C      -6.144170      0.576988      1.164889
  C      -7.437533      0.082163      0.924641
  C      -8.010252     -0.832043      1.804283
  C      -7.302378     -1.241182      2.934141
  F      -7.906898     -2.098292      3.772325
  C      -6.009410     -0.765286      3.216398
  C      -5.171310     -1.217970      4.365311
  O      -5.386901     -2.253507      4.993691
  N      -4.054098     -0.403824      4.591189
  C      -3.020970     -0.892364      5.291628
  C      -5.469891      0.134442      2.301164
  C      -9.433898      9.517191      0.752132
  C      -8.536308      8.299669      0.773295
  O      -8.859036      7.271810      0.178101
  C      -7.276319      8.359813      1.568817
  C      -6.959736      9.436352      2.416196
  C      -5.792505      9.408128      3.172359
  C      -4.956411      8.294430      3.102736
  F      -3.826939      8.331862      3.843124
  C      -5.230799      7.198465      2.270844
  C      -4.427148      5.928968      2.164294
  O      -4.383922      5.338566      1.073601
  N      -3.870561      5.515732      3.354958
  C      -3.502273      4.243016      3.383935
  C      -6.386858      7.282729      1.492077
  C     -11.980899      2.008793      0.070122
  C     -11.160030      1.417266      1.195928
  O     -11.383519      0.278029      1.603587
  C     -10.072874      2.244292      1.792134
  C      -9.637712      3.448608      1.210332
  C      -8.578432      4.157009      1.766001
  C      -7.950276      3.651708      2.903001
  F      -6.944814      4.380760      3.428986
  C      -8.358271      2.462408      3.527008
  C      -7.740115      1.904464      4.782645
  O      -8.465296      1.331328      5.608036
  N      -6.377314      2.072996      4.882661
  C      -5.884142      2.081495      6.109957
  C      -9.441063      1.790150      2.957412
  H      -7.061005      2.799216     -0.350096
  H      -5.561410      2.949118     -1.323775
  H      -6.639699      1.519745     -1.497708
  H      -8.010704      0.413605      0.058579
  H      -9.023065     -1.205881      1.651381
  H      -3.019625     -1.872004      5.789513
  H      -4.467550      0.502724      2.481615
  H      -9.787646      9.753489      1.767531
  H      -8.890046     10.400711      0.385850
  H     -10.295565      9.318329      0.106163
  H      -7.622250     10.298648      2.494437
  H      -5.514526     10.236096      3.825285
  H      -3.719009      3.576611      2.534784
  H      -6.597893      6.463158      0.806035
  H     -12.761521      1.296875     -0.218012
  H     -11.347376      2.226958     -0.803234
  H     -12.438741      2.960445      0.379003
  H     -10.121373      3.844505      0.316997
  H      -8.247189      5.103355      1.337561
  H      -6.555319      2.201361      6.979087
  H      -9.793701      0.874851      3.433041
  N      -2.172841      1.479473      2.761943
  H      -1.658301      0.598550      2.676581
  H      -1.512147      2.243497      2.592668
  H      -2.841190      1.511325      1.970333
90
Coordinates from ORCA-job orca E -6670.658582395026
  N      -2.061402      0.014619      5.366884
  Mo     -3.163341      1.672965      4.832090
  N      -4.563987      2.011483      6.347262
  C      -4.090072      2.421766      7.671594
  C      -2.647485      1.982801      7.791037
  N      -1.892166      2.309003      6.536199
  C      -0.625765      1.506756      6.506961
  C      -0.941349      0.026100      6.283488
  C      -1.565106      3.775219      6.430208
  C      -2.601617      4.517828      5.608375
  N      -2.917660      3.674212      4.455402
  H      -0.053924     -0.466222      5.852465
  H      -1.181361     -0.499590      7.222159
  H      -0.043077      1.883615      5.656499
  H      -0.042795      1.667302      7.429930
  H      -3.521411      4.735085      6.173062
  H      -2.199609      5.488697      5.280201
  H      -1.449867      4.202339      7.438392
  H      -0.596079      3.845606      5.918873
  H      -4.683330      1.954750      8.475678
  H      -4.177131      3.514130      7.799881
  H      -2.617241      0.892491      7.912872
  H      -2.140288      2.442273      8.655223
  C      -6.183792      2.274717     -0.798809
  C      -5.418537      1.580635      0.294874
  O      -4.223986      1.830816      0.487851
  C      -6.134965      0.603982      1.161761
  C      -7.433480      0.123726      0.920052
  C      -8.016242     -0.786318      1.797477
  C      -7.312220     -1.207824      2.925324
  F      -7.926232     -2.060217      3.761437
  C      -6.014096     -0.746871      3.208738
  C      -5.178785     -1.211901      4.355145
  O      -5.404072     -2.245984      4.982542
  N      -4.057873     -0.404203      4.584354
  C      -3.024172     -0.897975      5.280511
  C      -5.465726      0.150896      2.296846
  C      -9.427808      9.466526      0.650394
  C      -8.518747      8.258126      0.689808
  O      -8.790022      7.247370      0.041832
  C      -7.291735      8.319240      1.535221
  C      -7.028772      9.379137      2.421065
  C      -5.890929      9.353627      3.220886
  C      -5.029100      8.259857      3.152509
  F      -3.931688      8.295975      3.939612
  C      -5.249574      7.181374      2.282662
  C      -4.413837      5.932907      2.173688
  O      -4.333427      5.360706      1.075476
  N      -3.867678      5.516592      3.367978
  C      -3.495559      4.245180      3.393111
  C      -6.379395      7.260502      1.465779
  C     -11.989419      2.042235      0.106806
  C     -11.169781      1.449571      1.232979
  O     -11.394192      0.310159      1.639598
  C     -10.077660      2.272624      1.825315
  C      -9.636806      3.472704      1.238935
  C      -8.572560      4.177163      1.790313
  C      -7.945799      3.672222      2.928254
  F      -6.936337      4.398251      3.451258
  C      -8.358646      2.486778      3.556204
  C      -7.740101      1.928212      4.810932
  O      -8.463891      1.348879      5.633312
  N      -6.375256      2.084179      4.902803
  C      -5.874648      2.080995      6.126922
  C      -9.445642      1.818141      2.990291
  H      -7.030272      2.828279     -0.363403
  H      -5.522840      2.969776     -1.326219
  H      -6.606556      1.545436     -1.506432
  H      -8.003501      0.464788      0.055649
  H      -9.033801     -1.146663      1.644346
  H      -3.023558     -1.879083      5.775497
  H      -4.459628      0.507872      2.478487
  H      -9.837762      9.673163      1.650929
  H      -8.875410     10.364685      0.336066
  H     -10.251576      9.275487     -0.045475
  H      -7.710988     10.226244      2.495806
  H      -5.655943     10.168538      3.906307
  H      -3.712707      3.581669      2.542127
  H      -6.551087      6.452986      0.754665
  H     -12.776698      1.335197     -0.175228
  H     -11.355993      2.248732     -0.769603
  H     -12.437928      2.999859      0.410482
  H     -10.119855      3.868156      0.345039
  H      -8.237312      5.120211      1.357367
  H      -6.539994      2.201400      7.000444
  H      -9.800980      0.905288      3.468742
  N      -2.176764      1.480045      2.758308
  H      -1.664377      0.598063      2.670998
  H      -1.514869      2.242754      2.587703
  H      -2.847196      1.514266      1.968485
90
Coordinates from ORCA-job orca E -6670.658638680578
  N      -2.060382      0.010992      5.354213
  Mo     -3.155522      1.676945      4.831461
  N      -4.552556      2.013587      6.351542
  C      -4.074018      2.411089      7.678231
  C      -2.633633      1.963970      7.791342
  N      -1.878847      2.296382      6.538061
  C      -0.615781      1.489237      6.501605
  C      -0.938197      0.011462      6.268493
  C      -1.546635      3.762437      6.441951
  C      -2.580907      4.513158      5.624503
  N      -2.895764      3.677914      4.465199
  H      -0.053954     -0.481573      5.831813
  H      -1.178330     -0.519748      7.204009
  H      -0.032875      1.869494      5.652787
  H      -0.031434      1.641640      7.424988
  H      -3.501467      4.727651      6.189074
  H      -2.176645      5.485779      5.304176
  H      -1.429541      4.182233      7.452957
  H      -0.577812      3.832564      5.930208
  H      -4.668006      1.940515      8.479569
  H      -4.155418      3.502882      7.814531
  H      -2.609190      0.872494      7.903987
  H      -2.122414      2.413475      8.658396
  C      -6.191583      2.309683     -0.793538
  C      -5.427491      1.609479      0.297020
  O      -4.231760      1.855344      0.488718
  C      -6.144915      0.631829      1.161726
  C      -7.443568      0.152724      0.918258
  C      -8.026905     -0.759023      1.793556
  C      -7.323058     -1.184588      2.920007
  F      -7.938599     -2.037992      3.753886
  C      -6.024444     -0.725473      3.204758
  C      -5.187967     -1.197458      4.348026
  O      -5.417436     -2.231688      4.973667
  N      -4.061969     -0.396868      4.576317
  C      -3.027697     -0.897604      5.266632
  C      -5.476176      0.175013      2.295572
  C      -9.432685      9.362146      0.562515
  C      -8.484705      8.184233      0.600090
  O      -8.702758      7.181447     -0.079903
  C      -7.297725      8.255892      1.499782
  C      -7.111098      9.292804      2.431069
  C      -6.008506      9.279861      3.279055
  C      -5.104321      8.221327      3.210062
  F      -4.045798      8.263462      4.048255
  C      -5.247576      7.167596      2.295173
  C      -4.357903      5.957408      2.181734
  O      -4.220777      5.415318      1.074410
  N      -3.839285      5.528447      3.383563
  C      -3.464582      4.258092      3.402738
  C      -6.346228      7.231113      1.435390
  C     -12.004772      2.101683      0.142122
  C     -11.190809      1.507333      1.271754
  O     -11.434689      0.377583      1.693429
  C     -10.080735      2.317061      1.848758
  C      -9.619853      3.500657      1.244730
  C      -8.538470      4.191060      1.780699
  C      -7.915523      3.688653      2.921756
  F      -6.887948      4.401184      3.428602
  C      -8.348296      2.520028      3.567671
  C      -7.733485      1.963872      4.825040
  O      -8.462331      1.398877      5.653131
  N      -6.366457      2.103850      4.911805
  C      -5.862966      2.091999      6.134971
  C      -9.450474      1.864812      3.015471
  H      -7.039353      2.860624     -0.357349
  H      -5.529672      3.007417     -1.316250
  H      -6.612293      1.583876     -1.506041
  H      -8.013215      0.496082      0.054553
  H      -9.044699     -1.117968      1.638917
  H      -3.029428     -1.879782      5.759446
  H      -4.470129      0.530811      2.478921
  H      -9.886606      9.523518      1.552428
  H      -8.899895     10.287482      0.297152
  H     -10.223141      9.166178     -0.169697
  H      -7.826679     10.112048      2.504472
  H      -5.834510     10.077154      4.002305
  H      -3.676825      3.600729      2.546057
  H      -6.461233      6.440439      0.694060
  H     -12.811698      1.409765     -0.121423
  H     -11.372390      2.274595     -0.742415
  H     -12.426162      3.076151      0.430160
  H     -10.099749      3.893529      0.347952
  H      -8.187412      5.120551      1.330981
  H      -6.525675      2.215155      7.010043
  H      -9.818862      0.963808      3.506637
  N      -2.176052      1.489637      2.753686
  H      -1.670519      0.604178      2.661588
  H      -1.508965      2.248252      2.584624
  H      -2.848031      1.533097      1.965492
90
Coordinates from ORCA-job orca E -6670.658711657880
  N      -2.069268      0.013117      5.341382
  Mo     -3.154106      1.689549      4.833017
  N      -4.550137      2.023063      6.354453
  C      -4.069976      2.404482      7.685110
  C      -2.633154      1.945467      7.795247
  N      -1.875172      2.286306      6.546267
  C      -0.616464      1.473071      6.502662
  C      -0.946646     -0.000774      6.255164
  C      -1.535347      3.751636      6.466035
  C      -2.562655      4.514716      5.651415
  N      -2.875031      3.691811      4.482834
  H      -0.065127     -0.494114      5.813389
  H      -1.189044     -0.539685      7.185687
  H      -0.030434      1.858401      5.658247
  H      -0.032213      1.613421      7.427983
  H      -3.484722      4.728839      6.213804
  H      -2.151900      5.488387      5.342265
  H      -1.420402      4.161131      7.481499
  H      -0.564080      3.822326      5.959018
  H      -4.668385      1.931030      8.481439
  H      -4.143756      3.495505      7.831557
  H      -2.616572      0.852759      7.896704
  H      -2.119540      2.382138      8.667449
  C      -6.200369      2.336087     -0.807757
  C      -5.444635      1.648480      0.296754
  O      -4.254284      1.908810      0.503203
  C      -6.162554      0.666744      1.156201
  C      -7.457399      0.180890      0.904958
  C      -8.040520     -0.734238      1.776829
  C      -7.339495     -1.158441      2.905747
  F      -7.954779     -2.016892      3.734629
  C      -6.043846     -0.694757      3.196913
  C      -5.207712     -1.170448      4.339368
  O      -5.440675     -2.204785      4.963488
  N      -4.075500     -0.377828      4.564832
  C      -3.042429     -0.889238      5.249357
  C      -5.497070      0.211455      2.292619
  C      -9.443779      9.241885      0.537905
  C      -8.467087      8.088779      0.594072
  O      -8.646419      7.080960     -0.090372
  C      -7.288252      8.198299      1.499933
  C      -7.145737      9.236147      2.438331
  C      -6.050313      9.258654      3.295446
  C      -5.108607      8.233907      3.226816
  F      -4.056551      8.305719      4.071285
  C      -5.206029      7.183057      2.303854
  C      -4.268144      6.010200      2.195673
  O      -4.040503      5.519934      1.079856
  N      -3.797509      5.559023      3.408741
  C      -3.425071      4.288893      3.419116
  C      -6.298909      7.209218      1.435080
  C     -12.041985      2.116062      0.182914
  C     -11.220255      1.526060      1.309257
  O     -11.472686      0.405300      1.749221
  C     -10.090753      2.327776      1.858948
  C      -9.615711      3.490555      1.226247
  C      -8.514817      4.170620      1.734980
  C      -7.888543      3.680486      2.879708
  F      -6.839458      4.382741      3.356457
  C      -8.337545      2.535461      3.556833
  C      -7.727494      1.996582      4.823931
  O      -8.462667      1.449352      5.658954
  N      -6.359806      2.127648      4.911884
  C      -5.859357      2.109151      6.136997
  C      -9.455944      1.887960      3.027813
  H      -7.066187      2.872396     -0.389221
  H      -5.540084      3.043749     -1.319174
  H      -6.594172      1.601972     -1.527253
  H      -8.023703      0.521699      0.038045
  H      -9.055345     -1.099701      1.617570
  H      -3.048988     -1.873751      5.737310
  H      -4.494184      0.572959      2.481419
  H      -9.917010      9.393612      1.520241
  H      -8.930886     10.180076      0.278550
  H     -10.217927      9.024209     -0.205520
  H      -7.891140     10.028371      2.510913
  H      -5.911257     10.057573      4.024425
  H      -3.627303      3.643536      2.551235
  H      -6.379522      6.418133      0.689102
  H     -12.864646      1.434095     -0.056752
  H     -11.420784      2.263191     -0.714182
  H     -12.441689      3.102464      0.461180
  H     -10.098545      3.874641      0.327193
  H      -8.153078      5.083256      1.259313
  H      -6.522806      2.231987      7.011428
  H      -9.833917      1.003108      3.540724
  N      -2.185784      1.507202      2.750920
  H      -1.688054      0.617997      2.652331
  H      -1.513103      2.261008      2.582026
  H      -2.861402      1.560452      1.966397
90
Coordinates from ORCA-job orca E -6670.658744759371
  N      -2.070663      0.016092      5.331820
  Mo     -3.158980      1.693147      4.834208
  N      -4.551205      2.017463      6.360981
  C      -4.067989      2.393766      7.691866
  C      -2.630407      1.935678      7.795784
  N      -1.876276      2.284247      6.546495
  C      -0.616164      1.473798      6.494415
  C      -0.943971      0.000299      6.240429
  C      -1.540221      3.750941      6.473371
  C      -2.570146      4.515024      5.662868
  N      -2.880019      3.697333      4.490065
  H      -0.063213     -0.488592      5.792289
  H      -1.180924     -0.543863      7.169299
  H      -0.033623      1.864819      5.650211
  H      -0.029208      1.610761      7.418523
  H      -3.492573      4.722554      6.227143
  H      -2.162782      5.491957      5.359286
  H      -1.426533      4.155764      7.490847
  H      -0.569128      3.827382      5.966774
  H      -4.664041      1.916566      8.487685
  H      -4.142172      3.484125      7.843076
  H      -2.612131      0.842528      7.892003
  H      -2.114775      2.368632      8.668653
  C      -6.200432      2.342550     -0.811363
  C      -5.453088      1.671227      0.308937
  O      -4.268491      1.946856      0.529247
  C      -6.168770      0.680960      1.160462
  C      -7.457895      0.184004      0.899837
  C      -8.038531     -0.737232      1.767140
  C      -7.340354     -1.158279      2.899127
  F      -7.953063     -2.024865      3.721495
  C      -6.049293     -0.686733      3.197454
  C      -5.212285     -1.164550      4.338339
  O      -5.444846     -2.199842      4.961208
  N      -4.079654     -0.372841      4.562430
  C      -3.043507     -0.886567      5.240824
  C      -5.506166      0.227917      2.299416
  C      -9.418935      9.275909      0.511687
  C      -8.452477      8.114767      0.580190
  O      -8.634954      7.106556     -0.102814
  C      -7.277818      8.218309      1.491840
  C      -7.132604      9.260064      2.425518
  C      -6.040729      9.280514      3.287108
  C      -5.104332      8.250529      3.226635
  F      -4.053167      8.323209      4.072041
  C      -5.203970      7.196020      2.308172
  C      -4.265826      6.022843      2.206032
  O      -4.032801      5.530161      1.092613
  N      -3.803164      5.568527      3.420807
  C      -3.428253      4.299843      3.427926
  C      -6.294469      7.222362      1.435769
  C     -12.052956      2.091033      0.199924
  C     -11.229388      1.500283      1.324498
  O     -11.484492      0.381623      1.768119
  C     -10.095385      2.299345      1.869009
  C      -9.616767      3.457513      1.230579
  C      -8.511906      4.135089      1.734175
  C      -7.885784      3.647154      2.879671
  F      -6.832056      4.346727      3.349791
  C      -8.338825      2.507533      3.563416
  C      -7.729061      1.972927      4.832617
  O      -8.465045      1.436146      5.673770
  N      -6.362223      2.111361      4.921894
  C      -5.861141      2.098299      6.147025
  C      -9.460184      1.861585      3.038536
  H      -7.081344      2.868061     -0.411077
  H      -5.541490      3.056959     -1.315071
  H      -6.570076      1.598913     -1.534018
  H      -8.020976      0.520441      0.029095
  H      -9.048630     -1.113185      1.601985
  H      -3.046769     -1.872624      5.725552
  H      -4.507561      0.598033      2.494746
  H      -9.900064      9.434523      1.489114
  H      -8.896492     10.209273      0.253933
  H     -10.188159      9.062018     -0.237880
  H      -7.872788     10.057750      2.490125
  H      -5.899934     10.082440      4.012412
  H      -3.625317      3.659550      2.555191
  H      -6.377473      6.426149      0.695058
  H     -12.879478      1.412052     -0.034817
  H     -11.434837      2.233336     -0.700079
  H     -12.447150      3.079878      0.477469
  H     -10.099715      3.839980      0.330853
  H      -8.145156      5.042662      1.252319
  H      -6.523781      2.215368      7.022797
  H      -9.840075      0.979741      3.555119
  N      -2.201649      1.515762      2.747523
  H      -1.705172      0.626379      2.644244
  H      -1.529005      2.269255      2.577036
  H      -2.881518      1.571115      1.967047
90
Coordinates from ORCA-job orca E -6670.658715385692
  N      -2.057462      0.020195      5.330692
  Mo     -3.155398      1.691736      4.836951
  N      -4.553549      1.999613      6.361622
  C      -4.075793      2.370511      7.695717
  C      -2.635388      1.922608      7.800332
  N      -1.881799      2.285111      6.554803
  C      -0.615431      1.485145      6.500113
  C      -0.931503      0.009900      6.240103
  C      -1.558271      3.755027      6.491056
  C      -2.590404      4.514448      5.678722
  N      -2.887315      3.700105      4.500152
  H      -0.046350     -0.470262      5.791203
  H      -1.164878     -0.539477      7.166837
  H      -0.034938      1.884359      5.658343
  H      -0.029959      1.622470      7.425169
  H      -3.516853      4.711073      6.240244
  H      -2.189682      5.496402      5.382409
  H      -1.454445      4.155765      7.511224
  H      -0.584610      3.843687      5.991323
  H      -4.670783      1.885254      8.487526
  H      -4.157649      3.459412      7.853652
  H      -2.608140      0.829184      7.890974
  H      -2.125071      2.355039      8.676571
  C      -6.222923      2.306280     -0.832269
  C      -5.471949      1.662422      0.301771
  O      -4.296936      1.969846      0.532002
  C      -6.173685      0.663665      1.154797
  C      -7.456895      0.150197      0.895634
  C      -8.025181     -0.776537      1.764883
  C      -7.320454     -1.187540      2.896608
  F      -7.921326     -2.061829      3.719702
  C      -6.034529     -0.701360      3.192991
  C      -5.190195     -1.174455      4.330793
  O      -5.417504     -2.209769      4.955620
  N      -4.062239     -0.376282      4.555623
  C      -3.024373     -0.887596      5.233941
  C      -5.504353      0.220452      2.294159
  C      -9.409703      9.281937      0.501157
  C      -8.444346      8.119925      0.575377
  O      -8.639311      7.101032     -0.087880
  C      -7.264826      8.228848      1.479858
  C      -7.106839      9.284928      2.395200
  C      -6.009056      9.312632      3.249123
  C      -5.080096      8.275128      3.200363
  F      -4.020304      8.358706      4.034024
  C      -5.193436      7.205666      2.300923
  C      -4.260206      6.027827      2.210216
  O      -4.022653      5.528540      1.100376
  N      -3.809814      5.571766      3.429093
  C      -3.429699      4.305255      3.436186
  C      -6.288504      7.225755      1.433898
  C     -12.063849      2.114233      0.207805
  C     -11.220043      1.505039      1.307042
  O     -11.448818      0.367784      1.716520
  C     -10.100179      2.310410      1.871358
  C      -9.647943      3.496579      1.265950
  C      -8.555871      4.181817      1.786578
  C      -7.915752      3.673286      2.915147
  F      -6.876313      4.381687      3.402300
  C      -8.344204      2.506501      3.568126
  C      -7.727716      1.954836      4.826894
  O      -8.457182      1.387387      5.653555
  N      -6.362134      2.103660      4.919448
  C      -5.863486      2.077467      6.145367
  C      -9.453295      1.852573      3.026787
  H      -7.121445      2.812515     -0.446906
  H      -5.575751      3.032549     -1.334337
  H      -6.564287      1.547314     -1.552918
  H      -8.023884      0.477476      0.023880
  H      -9.029889     -1.168130      1.602796
  H      -3.022706     -1.875783      5.714119
  H      -4.510782      0.604695      2.487657
  H      -9.882771      9.453249      1.480423
  H      -8.888647     10.211459      0.227358
  H     -10.185393      9.059617     -0.239181
  H      -7.840540     10.089232      2.449834
  H      -5.857564     10.126339      3.958996
  H      -3.612485      3.669338      2.557123
  H      -6.379755      6.418817      0.706087
  H     -12.876614      1.425302     -0.045130
  H     -11.455819      2.301944     -0.690694
  H     -12.478096      3.083732      0.522420
  H     -10.142384      3.896035      0.379964
  H      -8.208824      5.110973      1.332070
  H      -6.527687      2.181153      7.021557
  H      -9.814472      0.949240      3.518966
  N      -2.193620      1.521891      2.753509
  H      -1.694433      0.634134      2.649079
  H      -1.522375      2.277246      2.585936
  H      -2.872832      1.576745      1.972471
90
Coordinates from ORCA-job orca E -6670.658782171227
  N      -2.060235      0.024392      5.326682
  Mo     -3.159581      1.695393      4.837036
  N      -4.553328      2.005000      6.365744
  C      -4.071600      2.375019      7.698787
  C      -2.631349      1.925176      7.798708
  N      -1.881110      2.288515      6.551646
  C      -0.614724      1.488502      6.492707
  C      -0.931450      0.013591      6.232780
  C      -1.557636      3.758648      6.487693
  C      -2.591960      4.517334      5.677428
  N      -2.889283      3.702518      4.499112
  H      -0.047714     -0.465932      5.780384
  H      -1.161695     -0.536745      7.159696
  H      -0.037613      1.888514      5.649012
  H      -0.026403      1.625646      7.415932
  H      -3.517864      4.712192      6.240349
  H      -2.193018      5.499749      5.380456
  H      -1.451429      4.158815      7.507779
  H      -0.585332      3.846828      5.985311
  H      -4.664648      1.889904      8.492064
  H      -4.151480      3.464023      7.856780
  H      -2.605512      0.831512      7.887040
  H      -2.118045      2.355420      8.674277
  C      -6.239285      2.293019     -0.832353
  C      -5.480391      1.643234      0.292903
  O      -4.300871      1.941737      0.511119
  C      -6.182105      0.652803      1.155185
  C      -7.468638      0.144661      0.903462
  C      -8.037855     -0.775680      1.778571
  C      -7.330864     -1.185330      2.909277
  F      -7.933890     -2.051342      3.739396
  C      -6.042212     -0.702109      3.199744
  C      -5.197275     -1.171868      4.338566
  O      -5.424464     -2.204854      4.967149
  N      -4.068295     -0.373722      4.559451
  C      -3.027724     -0.884061      5.234196
  C      -5.510770      0.212504      2.294378
  C      -9.408417      9.306240      0.518372
  C      -8.444057      8.142902      0.585015
  O      -8.640235      7.128197     -0.084327
  C      -7.267001      8.243188      1.493723
  C      -7.110997      9.289818      2.420101
  C      -6.016314      9.307526      3.278320
  C      -5.088391      8.269406      3.222118
  F      -4.034657      8.338587      4.064727
  C      -5.199647      7.209699      2.310953
  C      -4.268397      6.031060      2.212996
  O      -4.026044      5.542742      1.099417
  N      -3.812252      5.574191      3.429754
  C      -3.432363      4.307248      3.435745
  C      -6.291452      7.239865      1.440644
  C     -12.042056      2.093037      0.188874
  C     -11.221004      1.502211      1.315258
  O     -11.476493      0.383087      1.757362
  C     -10.088656      2.301745      1.862863
  C      -9.614018      3.464446      1.229797
  C      -8.512902      4.144399      1.738317
  C      -7.885076      3.653245      2.881417
  F      -6.834973      4.355994      3.354507
  C      -8.334174      2.508925      3.559857
  C      -7.726956      1.973523      4.830038
  O      -8.464585      1.428368      5.664399
  N      -6.360272      2.110129      4.923382
  C      -5.862800      2.086226      6.150141
  C      -9.453083      1.861675      3.031216
  H      -7.129811      2.805408     -0.436823
  H      -5.592830      3.015153     -1.341253
  H      -6.594161      1.537065     -1.549580
  H      -8.038482      0.472334      0.033754
  H      -9.045461     -1.161061      1.621147
  H      -3.024616     -1.871535      5.715811
  H      -4.515050      0.593282      2.483250
  H      -9.883227      9.470425      1.498032
  H      -8.885977     10.237347      0.252763
  H     -10.182744      9.090061     -0.225220
  H      -7.844775     10.093669      2.480875
  H      -5.867585     10.112906      3.998199
  H      -3.618710      3.670979      2.557617
  H      -6.381818      6.441349      0.704102
  H     -12.867574      1.413695     -0.048431
  H     -11.421740      2.236115     -0.709532
  H     -12.437612      3.081519      0.465792
  H     -10.098306      3.849428      0.331885
  H      -8.149277      5.056178      1.262870
  H      -6.527365      2.196394      7.025182
  H      -9.831250      0.977104      3.544309
  N      -2.207417      1.525471      2.748759
  H      -1.711330      0.636295      2.641839
  H      -1.535142      2.279361      2.578554
  H      -2.889665      1.583455      1.970536
90
Coordinates from ORCA-job orca E -6670.658777753981
  N      -2.074453      0.023020      5.322475
  Mo     -3.161795      1.702108      4.836246
  N      -4.550120      2.022139      6.368191
  C      -4.063338      2.386739      7.700906
  C      -2.626507      1.924797      7.796994
  N      -1.875447      2.283928      6.549280
  C      -0.615025      1.474511      6.487005
  C      -0.943169      0.002466      6.225374
  C      -1.541246      3.751830      6.486817
  C      -2.570596      4.517867      5.677249
  N      -2.872699      3.705864      4.498049
  H      -0.064292     -0.482418      5.769237
  H      -1.174615     -0.548061      7.151846
  H      -0.037030      1.871787      5.642623
  H      -0.024250      1.606469      7.409362
  H      -3.495679      4.716711      6.240107
  H      -2.165925      5.498289      5.381681
  H      -1.432324      4.149939      7.507368
  H      -0.568506      3.833320      5.984144
  H      -4.658641      1.904958      8.494397
  H      -4.133768      3.476259      7.859925
  H      -2.610007      0.830741      7.882922
  H      -2.107837      2.348849      8.672431
  C      -6.231221      2.316946     -0.831408
  C      -5.478709      1.666960      0.298299
  O      -4.297670      1.957689      0.518313
  C      -6.187281      0.679196      1.157526
  C      -7.474850      0.176919      0.899945
  C      -8.052616     -0.739977      1.772875
  C      -7.352507     -1.153565      2.906371
  F      -7.964309     -2.015189      3.734512
  C      -6.062394     -0.676794      3.201799
  C      -5.224640     -1.148736      4.344583
  O      -5.456830     -2.182039      4.970946
  N      -4.088118     -0.360524      4.562138
  C      -3.048723     -0.878613      5.232441
  C      -5.522726      0.235280      2.298997
  C      -9.426927      9.228116      0.521362
  C      -8.441541      8.082642      0.588664
  O      -8.609714      7.071061     -0.093012
  C      -7.268641      8.203552      1.500366
  C      -7.139674      9.244123      2.437483
  C      -6.049575      9.277193      3.301169
  C      -5.099183      8.259938      3.239279
  F      -4.054030      8.339384      4.091551
  C      -5.182573      7.208123      2.316017
  C      -4.228397      6.048506      2.213192
  O      -3.984106      5.564305      1.098454
  N      -3.778642      5.585315      3.429834
  C      -3.408385      4.315234      3.434262
  C      -6.270358      7.223404      1.440951
  C     -12.034381      2.090230      0.187220
  C     -11.220693      1.510181      1.324684
  O     -11.486207      0.400089      1.783213
  C     -10.083451      2.309356      1.862659
  C      -9.601357      3.461186      1.215720
  C      -8.495140      4.139469      1.715529
  C      -7.869945      3.657737      2.864187
  F      -6.814103      4.358499      3.327842
  C      -8.326722      2.524664      3.556396
  C      -7.722203      1.997767      4.831589
  O      -8.463892      1.472532      5.675033
  N      -6.355151      2.130623      4.925179
  C      -5.858831      2.110778      6.152868
  C      -9.450471      1.879354      3.036019
  H      -7.123893      2.829897     -0.441684
  H      -5.581336      3.038316     -1.337051
  H      -6.582241      1.560941     -1.550556
  H      -8.039868      0.508200      0.028518
  H      -9.062502     -1.117441      1.611487
  H      -3.051200     -1.865844      5.714526
  H      -4.526210      0.611575      2.493003
  H      -9.913322      9.376180      1.497861
  H      -8.919893     10.170832      0.267079
  H     -10.190398      9.002538     -0.230666
  H      -7.892354     10.029943      2.503931
  H      -5.922906     10.077479      4.030851
  H      -3.600207      3.680801      2.555986
  H      -6.340530      6.431239      0.695793
  H     -12.865699      1.414528     -0.040070
  H     -11.410657      2.211260     -0.712100
  H     -12.421174      3.087078      0.445461
  H     -10.083282      3.838207      0.313202
  H      -8.125803      5.043241      1.229331
  H      -6.523813      2.226250      7.026845
  H      -9.834747      1.003896      3.560198
  N      -2.220340      1.523366      2.743485
  H      -1.734684      0.628687      2.634484
  H      -1.540681      2.269926      2.570230
  H      -2.904946      1.588960      1.968050
90
Coordinates from ORCA-job orca E -6670.658820143967
  N      -2.062914      0.026233      5.316992
  Mo     -3.161636      1.699323      4.837017
  N      -4.550609      2.005399      6.371403
  C      -4.064963      2.366464      7.705316
  C      -2.625084      1.913769      7.797796
  N      -1.878102      2.284327      6.551015
  C      -0.611888      1.484558      6.483507
  C      -0.929667      0.010947      6.217442
  C      -1.555197      3.755072      6.494619
  C      -2.589544      4.516145      5.686603
  N      -2.884036      3.706159      4.504007
  H      -0.048108     -0.465798      5.757925
  H      -1.155099     -0.544397      7.142517
  H      -0.038326      1.889134      5.639560
  H      -0.020287      1.617568      7.405192
  H      -3.516610      4.705123      6.249555
  H      -2.192397      5.500929      5.395326
  H      -1.450964      4.150169      7.516831
  H      -0.582298      3.846469      5.993920
  H      -4.656593      1.877466      8.497154
  H      -4.142065      3.454759      7.869578
  H      -2.600753      0.819506      7.878756
  H      -2.108419      2.337420      8.674610
  C      -6.241387      2.299721     -0.832300
  C      -5.486827      1.657454      0.300603
  O      -4.307493      1.955456      0.520300
  C      -6.189763      0.666885      1.161306
  C      -7.476119      0.159198      0.907272
  C      -8.047233     -0.760602      1.781677
  C      -7.341863     -1.171513      2.913000
  F      -7.946875     -2.037296      3.741829
  C      -6.052697     -0.689908      3.204427
  C      -5.208126     -1.160927      4.342596
  O      -5.435648     -2.194346      4.970510
  N      -4.075349     -0.367037      4.558637
  C      -3.031470     -0.881320      5.225355
  C      -5.520040      0.225160      2.300574
  C      -9.410459      9.263554      0.495709
  C      -8.433673      8.110974      0.567906
  O      -8.608471      7.098872     -0.111261
  C      -7.264993      8.222865      1.486095
  C      -7.131400      9.265115      2.420734
  C      -6.045148      9.291343      3.289483
  C      -5.103468      8.265542      3.235420
  F      -4.059765      8.341065      4.089780
  C      -5.191848      7.211483      2.315171
  C      -4.245905      6.044666      2.218855
  O      -3.992780      5.562483      1.105096
  N      -3.797755      5.583671      3.437004
  C      -3.420261      4.316008      3.440410
  C      -6.275431      7.233397      1.434809
  C     -12.036042      2.102378      0.191635
  C     -11.218604      1.513550      1.321822
  O     -11.479636      0.397934      1.769437
  C     -10.083847      2.311413      1.866938
  C      -9.606474      3.471408      1.231012
  C      -8.502437      4.148735      1.736765
  C      -7.874915      3.658032      2.880312
  F      -6.821556      4.358163      3.350120
  C      -8.327457      2.517145      3.562234
  C      -7.722035      1.982832      4.833846
  O      -8.462423      1.446962      5.671811
  N      -6.355274      2.118096      4.928670
  C      -5.859518      2.091048      6.156557
  C      -9.448729      1.872307      3.035850
  H      -7.138396      2.807743     -0.446077
  H      -5.595052      3.024028     -1.338299
  H      -6.585046      1.539331     -1.550423
  H      -8.044558      0.487557      0.036980
  H      -9.055555     -1.143838      1.623502
  H      -3.026939     -1.870055      5.704256
  H      -4.524689      0.605829      2.491492
  H      -9.899968      9.415860      1.470025
  H      -8.895830     10.202476      0.242697
  H     -10.172369      9.042655     -0.259285
  H      -7.876961     10.058208      2.480376
  H      -5.914359     10.093365      4.016526
  H      -3.604751      3.683811      2.559065
  H      -6.348650      6.439349      0.691530
  H     -12.865181      1.426055     -0.041670
  H     -11.414224      2.235492     -0.707298
  H     -12.426158      3.094948      0.461237
  H     -10.090456      3.855599      0.332608
  H      -8.135907      5.058561      1.259571
  H      -6.524780      2.199178      7.031218
  H      -9.829537      0.990344      3.551575
  N      -2.222590      1.529150      2.743047
  H      -1.734610      0.636083      2.631083
  H      -1.545009      2.277830      2.570793
  H      -2.908513      1.594811      1.968696
90
Coordinates from ORCA-job orca E -6670.658837190555
  N      -2.059728      0.032175      5.310062
  Mo     -3.165251      1.702546      4.839458
  N      -4.551658      1.997307      6.378407
  C      -4.064669      2.351725      7.713268
  C      -2.623162      1.903139      7.799899
  N      -1.880881      2.285070      6.553899
  C      -0.611182      1.491776      6.477950
  C      -0.923001      0.017905      6.206033
  C      -1.565381      3.757746      6.506185
  C      -2.602593      4.517360      5.700491
  N      -2.890857      3.711654      4.513276
  H      -0.040852     -0.452261      5.740897
  H      -1.142195     -0.542981      7.129250
  H      -0.042536      1.903349      5.634042
  H      -0.016717      1.623025      7.398050
  H      -3.531304      4.697273      6.263656
  H      -2.210752      5.505960      5.415057
  H      -1.465565      4.147849      7.530741
  H      -0.591791      3.857628      6.008399
  H      -4.653332      1.856607      8.503548
  H      -4.144605      3.438838      7.884199
  H      -2.594409      0.808538      7.874094
  H      -2.106122      2.323305      8.678169
  C      -6.259179      2.276858     -0.846711
  C      -5.502106      1.648215      0.292305
  O      -4.328750      1.964881      0.518148
  C      -6.199224      0.657648      1.157655
  C      -7.484116      0.144156      0.907397
  C      -8.050337     -0.774494      1.786002
  C      -7.341400     -1.178975      2.917505
  F      -7.941224     -2.045269      3.749612
  C      -6.053239     -0.692408      3.204967
  C      -5.203952     -1.160637      4.341099
  O      -5.430421     -2.191719      4.973232
  N      -4.072365     -0.364408      4.555128
  C      -3.024835     -0.878664      5.216601
  C      -5.525877      0.222290      2.297456
  C      -9.402826      9.270877      0.490524
  C      -8.425063      8.119250      0.566090
  O      -8.599525      7.104980     -0.109860
  C      -7.258142      8.233138      1.486165
  C      -7.125925      9.277848      2.418278
  C      -6.040864      9.306363      3.288481
  C      -5.099266      8.280206      3.238647
  F      -4.055322      8.359256      4.092414
  C      -5.186379      7.223829      2.321036
  C      -4.238771      6.058177      2.228490
  O      -3.977924      5.578339      1.115499
  N      -3.799423      5.593373      3.448395
  C      -3.421639      4.326001      3.449409
  C      -6.268553      7.243424      1.438920
  C     -12.035153      2.102972      0.195134
  C     -11.220618      1.516535      1.328593
  O     -11.486373      0.404135      1.781506
  C     -10.080181      2.310437      1.867473
  C      -9.596707      3.463877      1.224090
  C      -8.487998      4.137216      1.724536
  C      -7.862266      3.649787      2.870574
  F      -6.804083      4.346568      3.334315
  C      -8.320726      2.515688      3.559937
  C      -7.719742      1.986893      4.835921
  O      -8.463694      1.453740      5.672649
  N      -6.352930      2.118005      4.933802
  C      -5.860021      2.084437      6.163169
  C      -9.446158      1.874210      3.038105
  H      -7.166224      2.772327     -0.468029
  H      -5.620239      3.009203     -1.350626
  H      -6.585784      1.509126     -1.564990
  H      -8.054945      0.467269      0.036712
  H      -9.057489     -1.162449      1.631604
  H      -3.015440     -1.869550      5.690854
  H      -4.531739      0.607423      2.484946
  H      -9.894929      9.423499      1.463491
  H      -8.888876     10.210196      0.237730
  H     -10.162661      9.048074     -0.265998
  H      -7.871245     10.071428      2.473944
  H      -5.910663     10.110858      4.012908
  H      -3.599887      3.698405      2.563584
  H      -6.340343      6.447933      0.696969
  H     -12.868428      1.430192     -0.033600
  H     -11.413138      2.226804     -0.705017
  H     -12.419182      3.099527      0.458857
  H     -10.079618      3.845840      0.324155
  H      -8.115581      5.041744      1.241844
  H      -6.526375      2.188106      7.037426
  H      -9.831847      0.997701      3.559401
  N      -2.234069      1.536316      2.742659
  H      -1.748321      0.642403      2.627404
  H      -1.555245      2.283594      2.569177
  H      -2.922738      1.604546      1.970744
90
Coordinates from ORCA-job orca E -6670.658879629090
  N      -2.053405      0.040993      5.293421
  Mo     -3.169487      1.707615      4.841930
  N      -4.549910      1.983660      6.390593
  C      -4.058964      2.322348      7.727544
  C      -2.615191      1.878853      7.801055
  N      -1.881467      2.282186      6.557008
  C      -0.606368      1.499347      6.464318
  C      -0.909209      0.025967      6.179689
  C      -1.577886      3.758145      6.526441
  C      -2.619460      4.516434      5.724995
  N      -2.896413      3.719485      4.528819
  H      -0.027381     -0.432251      5.702187
  H      -1.116395     -0.546249      7.098660
  H      -0.047078      1.924264      5.620756
  H      -0.006486      1.626067      7.381482
  H      -3.551489      4.679348      6.287768
  H      -2.236918      5.511903      5.451270
  H      -1.485981      4.137890      7.555556
  H      -0.603084      3.872454      6.034068
  H      -4.642199      1.815020      8.514025
  H      -4.141734      3.407011      7.912417
  H      -2.580874      0.783535      7.860114
  H      -2.095772      2.289491      8.682415
  C      -6.286205      2.256282     -0.856876
  C      -5.528242      1.648303      0.293079
  O      -4.358702      1.978736      0.519294
  C      -6.217183      0.655437      1.162128
  C      -7.500429      0.135234      0.916448
  C      -8.059924     -0.783694      1.798994
  C      -7.345328     -1.183470      2.928725
  F      -7.938816     -2.050899      3.764134
  C      -6.057919     -0.691501      3.210692
  C      -5.201171     -1.157285      4.342409
  O      -5.422790     -2.188026      4.976926
  N      -4.069288     -0.359713      4.549590
  C      -3.013407     -0.875198      5.197555
  C      -5.538196      0.224683      2.300323
  C      -9.392690      9.248950      0.454007
  C      -8.405063      8.106275      0.538093
  O      -8.562784      7.091900     -0.141743
  C      -7.250571      8.228132      1.472678
  C      -7.139965      9.270260      2.410447
  C      -6.066314      9.305393      3.294529
  C      -5.114549      8.288277      3.252580
  F      -4.082525      8.372771      4.120121
  C      -5.179953      7.235243      2.329388
  C      -4.220767      6.078711      2.244369
  O      -3.935389      5.610947      1.132334
  N      -3.795740      5.608861      3.467619
  C      -3.416296      4.342164      3.464466
  C      -6.251090      7.247953      1.433913
  C     -12.027056      2.124046      0.200411
  C     -11.216918      1.536872      1.336719
  O     -11.492473      0.429563      1.796176
  C     -10.070309      2.324518      1.871596
  C      -9.579316      3.472290      1.223615
  C      -8.464813      4.138642      1.720232
  C      -7.840992      3.650302      2.867031
  F      -6.776451      4.340564      3.325690
  C      -8.307592      2.522801      3.561798
  C      -7.712068      1.995479      4.840941
  O      -8.461774      1.469868      5.677641
  N      -6.345077      2.121145      4.943352
  C      -5.857062      2.075770      6.175328
  C      -9.438269      1.887947      3.043136
  H      -7.205864      2.737728     -0.491297
  H      -5.655276      2.996290     -1.359775
  H      -6.590186      1.477481     -1.573327
  H      -8.075212      0.454032      0.046799
  H      -9.066073     -1.176062      1.649207
  H      -2.995046     -1.869837      5.663367
  H      -4.545523      0.614913      2.484212
  H      -9.900908      9.391215      1.420264
  H      -8.884641     10.194741      0.213906
  H     -10.138836      9.022318     -0.314914
  H      -7.893603     10.056385      2.459342
  H      -5.953071     10.108217      4.023630
  H      -3.584976      3.722575      2.571452
  H      -6.306473      6.455026      0.687733
  H     -12.867262      1.458056     -0.022808
  H     -11.404643      2.234820     -0.701215
  H     -12.400767      3.126333      0.457033
  H     -10.060766      3.854661      0.323052
  H      -8.084984      5.038556      1.234611
  H      -6.525632      2.171763      7.048547
  H      -9.830089      1.016263      3.567968
  N      -2.257371      1.549173      2.737325
  H      -1.779453      0.652092      2.613552
  H      -1.573956      2.291804      2.561693
  H      -2.951616      1.626492      1.971093
90
Coordinates from ORCA-job orca E -6670.658968273567
  N      -2.045950      0.053077      5.265595
  Mo     -3.176491      1.714909      4.845856
  N      -4.544215      1.962488      6.412403
  C      -4.045019      2.274672      7.751652
  C      -2.598301      1.837648      7.802026
  N      -1.879204      2.273867      6.560952
  C      -0.597400      1.505758      6.440087
  C      -0.889222      0.034298      6.135000
  C      -1.591545      3.753917      6.558384
  C      -2.639216      4.512355      5.764891
  N      -2.901706      3.730193      4.555065
  H      -0.009741     -0.406165      5.636910
  H      -1.077651     -0.555661      7.046619
  H      -0.053555      1.950983      5.596841
  H       0.012347      1.624322      7.351697
  H      -3.575326      4.649531      6.327654
  H      -2.270056      5.517556      5.509501
  H      -1.510860      4.116092      7.594635
  H      -0.615078      3.889468      6.074614
  H      -4.618930      1.747883      8.532028
  H      -4.130571      3.355019      7.959551
  H      -2.557089      0.741626      7.836448
  H      -2.073129      2.231967      8.687399
  C      -6.320836      2.250101     -0.861176
  C      -5.561071      1.659966      0.297376
  O      -4.393940      2.000629      0.521118
  C      -6.242034      0.665505      1.170623
  C      -7.526681      0.144355      0.933573
  C      -8.080220     -0.773554      1.820960
  C      -7.357566     -1.173478      2.945610
  F      -7.945543     -2.039850      3.785890
  C      -6.067710     -0.681931      3.217718
  C      -5.200998     -1.148463      4.341736
  O      -5.416557     -2.180210      4.976965
  N      -4.067089     -0.351620      4.539401
  C      -2.997811     -0.871127      5.163424
  C      -5.554960      0.234299      2.303657
  C      -9.382224      9.175750      0.375531
  C      -8.369410      8.056461      0.474611
  O      -8.483739      7.046083     -0.219576
  C      -7.243710      8.196559      1.441337
  C      -7.185082      9.228978      2.394319
  C      -6.137688      9.278757      3.308764
  C      -5.160141      8.285841      3.281352
  F      -4.156530      8.382183      4.180222
  C      -5.173241      7.244054      2.343263
  C      -4.187826      6.109024      2.271341
  O      -3.864226      5.660629      1.161968
  N      -3.782555      5.633419      3.499612
  C      -3.403356      4.366680      3.490630
  C      -6.219314      7.241840      1.418764
  C     -12.012883      2.174089      0.214575
  C     -11.212106      1.584998      1.356688
  O     -11.505254      0.486445      1.826164
  C     -10.053069      2.359345      1.883918
  C      -9.546489      3.495404      1.227108
  C      -8.420349      4.147088      1.716329
  C      -7.800373      3.656114      2.864254
  F      -6.723370      4.332475      3.314088
  C      -8.283078      2.541493      3.568754
  C      -7.695924      2.014239      4.851748
  O      -8.455622      1.506304      5.690963
  N      -6.328355      2.128717      4.960692
  C      -5.848900      2.065344      6.197209
  C      -9.424882      1.921227      3.056835
  H      -7.252699      2.716203     -0.507615
  H      -5.698524      2.998989     -1.361744
  H      -6.601245      1.462142     -1.577495
  H      -8.107494      0.462814      0.067863
  H      -9.087983     -1.164457      1.678685
  H      -2.965711     -1.872764      5.612718
  H      -4.561339      0.624532      2.481269
  H      -9.924568      9.289607      1.326934
  H      -8.891281     10.137682      0.166246
  H     -10.097323      8.942047     -0.420316
  H      -7.959750      9.995060      2.431281
  H      -6.065250     10.074442      4.050741
  H      -3.560590      3.759037      2.587866
  H      -6.235780      6.457331      0.661762
  H     -12.865687      1.521213      0.000485
  H     -11.389148      2.260663     -0.688880
  H     -12.367328      3.186574      0.457766
  H     -10.024778      3.878971      0.325321
  H      -8.026108      5.037635      1.225005
  H      -6.521530      2.150937      7.067993
  H      -9.829121      1.059374      3.588503
  N      -2.296498      1.567783      2.728374
  H      -1.833040      0.664893      2.591100
  H      -1.604430      2.301462      2.548608
  H      -2.999017      1.660950      1.971257
90
Coordinates from ORCA-job orca E -6670.659093399560
  N      -2.042992      0.064292      5.236128
  Mo     -3.185669      1.722953      4.851036
  N      -4.534779      1.942235      6.440172
  C      -4.024438      2.225950      7.779895
  C      -2.575525      1.793792      7.803378
  N      -1.873361      2.261940      6.564581
  C      -0.587528      1.506234      6.412249
  C      -0.872876      0.038163      6.086482
  C      -1.597239      3.744434      6.591977
  C      -2.650411      4.506888      5.809964
  N      -2.905600      3.741265      4.587273
  H       0.001860     -0.386336      5.566648
  H      -1.043233     -0.569183      6.989988
  H      -0.059950      1.970560      5.568788
  H       0.034392      1.615068      7.316652
  H      -3.588166      4.620653      6.375223
  H      -2.292194      5.520191      5.572413
  H      -1.525225      4.086933      7.635416
  H      -0.619543      3.899482      6.116437
  H      -4.587615      1.679351      8.554310
  H      -4.110956      3.301306      8.012503
  H      -2.529381      0.697650      7.812615
  H      -2.041717      2.170727      8.691138
  C      -6.354354      2.261753     -0.862131
  C      -5.593815      1.684573      0.302792
  O      -4.425620      2.025977      0.519936
  C      -6.268718      0.687931      1.178142
  C      -7.557060      0.171416      0.951006
  C      -8.106974     -0.745056      1.842311
  C      -7.376320     -1.149849      2.960007
  F      -7.960528     -2.013895      3.805243
  C      -6.081794     -0.664220      3.220986
  C      -5.205807     -1.134467      4.336480
  O      -5.414204     -2.170748      4.967129
  N      -4.068628     -0.340865      4.526241
  C      -2.985361     -0.867675      5.121845
  C      -5.573087      0.250562      2.303534
  C      -9.377644      9.053597      0.275406
  C      -8.327803      7.970765      0.392868
  O      -8.376401      6.971030     -0.323884
  C      -7.243438      8.136647      1.402195
  C      -7.259903      9.151553      2.375289
  C      -6.249685      9.222349      3.329316
  C      -5.233912      8.268114      3.320681
  F      -4.270854      8.382059      4.260682
  C      -5.171468      7.245708      2.363369
  C      -4.149048      6.142850      2.306664
  O      -3.785614      5.716220      1.201320
  N      -3.762053      5.662108      3.539689
  C      -3.388422      4.393556      3.524539
  C      -6.182602      7.222271      1.401121
  C     -11.996892      2.252657      0.238860
  C     -11.204828      1.657892      1.384239
  O     -11.523101      0.572841      1.868667
  C     -10.028003      2.412407      1.900180
  C      -9.497259      3.528916      1.228801
  C      -8.354459      4.158786      1.707008
  C      -7.742139      3.666389      2.858621
  F      -6.648022      4.322273      3.296921
  C      -8.248673      2.572011      3.577949
  C      -7.672738      2.045093      4.866014
  O      -8.445360      1.563394      5.709659
  N      -6.304264      2.141448      4.982599
  C      -5.835979      2.060039      6.224875
  C      -9.406494      1.973380      3.076197
  H      -7.293106      2.719873     -0.517484
  H      -5.736980      3.014576     -1.363010
  H      -6.619928      1.466802     -1.576643
  H      -8.144317      0.493807      0.091144
  H      -9.118351     -1.129262      1.707771
  H      -2.939548     -1.878768      5.547437
  H      -4.575937      0.634535      2.473667
  H      -9.962666      9.123532      1.205570
  H      -8.915934     10.038023      0.109022
  H     -10.049595      8.811936     -0.554922
  H      -8.065386      9.885781      2.397286
  H      -6.235863     10.004792      4.088561
  H      -3.539396      3.797573      2.613387
  H      -6.143170      6.452200      0.630210
  H     -12.867631      1.619331      0.038571
  H     -11.375861      2.308936     -0.668890
  H     -12.323375      3.277606      0.468299
  H      -9.969416      3.912723      0.323842
  H      -7.938664      5.033305      1.204903
  H      -6.513788      2.138005      7.091855
  H      -9.829348      1.127436      3.618874
  N      -2.339290      1.587349      2.720828
  H      -1.890687      0.678743      2.570239
  H      -1.638167      2.311327      2.536403
  H      -3.048967      1.696580      1.972312
90
Coordinates from ORCA-job orca E -6670.659229207104
  N      -2.045057      0.076876      5.206096
  Mo     -3.199523      1.732418      4.856670
  N      -4.525235      1.922797      6.471711
  C      -4.002039      2.177278      7.810288
  C      -2.551137      1.751004      7.804069
  N      -1.868065      2.250454      6.567004
  C      -0.579899      1.506303      6.381272
  C      -0.861215      0.042406      6.035869
  C      -1.600595      3.734233      6.624583
  C      -2.660008      4.502616      5.857453
  N      -2.913923      3.753701      4.623445
  H       0.007296     -0.367268      5.494124
  H      -1.013720     -0.581413      6.931051
  H      -0.069398      1.988489      5.537101
  H       0.055753      1.605336      7.277013
  H      -3.597070      4.595566      6.427759
  H      -2.311057      5.522584      5.636021
  H      -1.533686      4.056209      7.674755
  H      -0.622771      3.906865      6.155244
  H      -4.552747      1.610164      8.578777
  H      -4.089436      3.246826      8.068358
  H      -2.500473      0.655386      7.787899
  H      -2.006917      2.110699      8.692632
  C      -6.379067      2.270981     -0.870187
  C      -5.621030      1.705618      0.302334
  O      -4.452829      2.048503      0.517421
  C      -6.294076      0.710878      1.181276
  C      -7.587692      0.203060      0.964915
  C      -8.137195     -0.708652      1.861794
  C      -7.399985     -1.119082      2.972994
  F      -7.983272     -1.976886      3.825164
  C      -6.099329     -0.643115      3.221958
  C      -5.214651     -1.118228      4.328726
  O      -5.415610     -2.160297      4.952886
  N      -4.074393     -0.328273      4.511459
  C      -2.976205     -0.863328      5.075384
  C      -5.591576      0.266694      2.299634
  C      -9.369114      8.923776      0.173686
  C      -8.283085      7.879966      0.312428
  O      -8.264624      6.892339     -0.422132
  C      -7.242705      8.072752      1.363027
  C      -7.336388      9.068233      2.351516
  C      -6.366279      9.161019      3.344368
  C      -5.312416      8.249081      3.358057
  F      -4.393711      8.379701      4.339155
  C      -5.172036      7.248241      2.386363
  C      -4.112721      6.179798      2.347405
  O      -3.707991      5.777207      1.247906
  N      -3.743908      5.693749      3.585199
  C      -3.379407      4.422461      3.564138
  C      -6.146356      7.201642      1.387455
  C     -11.978591      2.332085      0.267278
  C     -11.195826      1.732044      1.416456
  O     -11.534232      0.657397      1.910417
  C     -10.001291      2.466016      1.920721
  C      -9.447678      3.562750      1.235200
  C      -8.288627      4.170431      1.702227
  C      -7.682779      3.676090      2.856523
  F      -6.572007      4.311044      3.283384
  C      -8.211797      2.602127      3.590125
  C      -7.646044      2.074462      4.882025
  O      -8.431226      1.621794      5.731094
  N      -6.277003      2.153313      5.007262
  C      -5.822213      2.056524      6.256363
  C      -9.385393      2.025728      3.098928
  H      -7.322304      2.726187     -0.535256
  H      -5.763350      3.024105     -1.372636
  H      -6.633683      1.469158     -1.581222
  H      -8.180376      0.530126      0.110570
  H      -9.153071     -1.083252      1.734740
  H      -2.916163     -1.885163      5.471463
  H      -4.589115      0.639767      2.461415
  H      -9.991919      8.950438      1.081355
  H      -8.940274      9.928553      0.046129
  H      -9.998035      8.674089     -0.687399
  H      -8.172439      9.767845      2.356096
  H      -6.413096      9.928075      4.117833
  H      -3.528052      3.837497      2.645826
  H      -6.050649      6.446041      0.607208
  H     -12.864370      1.716564      0.077586
  H     -11.359511      2.362178     -0.643105
  H     -12.280602      3.367058      0.484402
  H      -9.914429      3.946921      0.327511
  H      -7.852529      5.028434      1.189305
  H      -6.506521      2.127908      7.118179
  H      -9.825524      1.195567      3.652226
  N      -2.386637      1.609781      2.714369
  H      -1.951177      0.696596      2.550627
  H      -1.677718      2.325135      2.525489
  H      -3.102023      1.734301      1.973630
90
Coordinates from ORCA-job orca E -6670.659358669034
  N      -2.073821      0.084041      5.204631
  Mo     -3.227592      1.741811      4.862517
  N      -4.521183      1.934550      6.506588
  C      -3.986457      2.179114      7.839148
  C      -2.535929      1.751722      7.810331
  N      -1.868651      2.252759      6.565300
  C      -0.587492      1.502501      6.360063
  C      -0.881483      0.040853      6.019777
  C      -1.589114      3.734216      6.629600
  C      -2.650311      4.512221      5.877780
  N      -2.932491      3.763229      4.649950
  H      -0.021832     -0.374680      5.468272
  H      -1.029263     -0.581541      6.916406
  H      -0.085890      1.980880      5.508034
  H       0.061504      1.599495      7.246196
  H      -3.577873      4.612825      6.462728
  H      -2.295332      5.528192      5.648790
  H      -1.513119      4.050074      7.680926
  H      -0.612906      3.903290      6.155643
  H      -4.525981      1.604729      8.610185
  H      -4.071947      3.246586      8.106421
  H      -2.487982      0.656518      7.789009
  H      -1.978753      2.108126      8.692161
  C      -6.374502      2.229654     -0.913217
  C      -5.622749      1.672609      0.266541
  O      -4.451746      2.006978      0.479831
  C      -6.305758      0.696388      1.158766
  C      -7.607505      0.205960      0.954988
  C      -8.168036     -0.685303      1.866419
  C      -7.432904     -1.091992      2.979441
  F      -8.025163     -1.925456      3.849538
  C      -6.123759     -0.632456      3.215949
  C      -5.239841     -1.103101      4.325001
  O      -5.434073     -2.152638      4.940303
  N      -4.098009     -0.317480      4.508620
  C      -2.991730     -0.862986      5.048312
  C      -5.603879      0.253208      2.278177
  C      -9.389412      8.852239      0.173289
  C      -8.282856      7.830679      0.310917
  O      -8.230647      6.853325     -0.435404
  C      -7.254025      8.042985      1.370747
  C      -7.379695      9.030227      2.363762
  C      -6.421874      9.137807      3.366298
  C      -5.346086      8.252268      3.383982
  F      -4.445562      8.390787      4.380721
  C      -5.171473      7.261064      2.408354
  C      -4.097169      6.206628      2.368343
  O      -3.690928      5.808891      1.268606
  N      -3.727826      5.717318      3.607389
  C      -3.393422      4.436824      3.591235
  C      -6.138608      7.197202      1.402211
  C     -11.943842      2.364220      0.270746
  C     -11.162068      1.763811      1.420521
  O     -11.503310      0.690737      1.916018
  C      -9.962190      2.492809      1.918901
  C      -9.396984      3.576114      1.221888
  C      -8.232220      4.176938      1.683522
  C      -7.631752      3.688912      2.843044
  F      -6.516291      4.317033      3.267482
  C      -8.171445      2.628300      3.586885
  C      -7.612376      2.103745      4.881831
  O      -8.408305      1.682162      5.738126
  N      -6.243497      2.171929      5.021446
  C      -5.811438      2.084737      6.282957
  C      -9.351447      2.059691      3.101751
  H      -7.302402      2.716138     -0.580907
  H      -5.746026      2.957640     -1.436160
  H      -6.655280      1.419364     -1.604443
  H      -8.200187      0.532167      0.100237
  H      -9.190184     -1.043503      1.743756
  H      -2.923937     -1.897386      5.406754
  H      -4.591508      0.602838      2.430253
  H     -10.016006      8.857052      1.078820
  H      -8.979402      9.866317      0.058776
  H     -10.009085      8.599030     -0.693445
  H      -8.233309      9.708507      2.367896
  H      -6.493843      9.895900      4.146640
  H      -3.562182      3.847137      2.679238
  H      -6.024680      6.443591      0.623211
  H     -12.830252      1.749589      0.081094
  H     -11.324814      2.394362     -0.639549
  H     -12.245308      3.399233      0.488072
  H      -9.858714      3.954070      0.308960
  H      -7.786611      5.023651      1.161046
  H      -6.508859      2.165460      7.132437
  H      -9.799784      1.239822      3.663775
  N      -2.427620      1.611250      2.716722
  H      -1.994394      0.696089      2.552871
  H      -1.714516      2.321976      2.525187
  H      -3.137642      1.738509      1.971935
90
Coordinates from ORCA-job orca E -6670.659790704320
  N      -2.078154      0.102224      5.184123
  Mo     -3.250340      1.751258      4.868259
  N      -4.521637      1.917565      6.533696
  C      -3.976940      2.139138      7.864793
  C      -2.523652      1.722808      7.810100
  N      -1.875937      2.253412      6.566716
  C      -0.589372      1.521165      6.333102
  C      -0.871841      0.061193      5.977776
  C      -1.611531      3.736970      6.655036
  C      -2.682487      4.514025      5.915185
  N      -2.958410      3.776359      4.678867
  H      -0.016638     -0.336940      5.406767
  H      -0.997948     -0.574721      6.868142
  H      -0.105492      2.017036      5.480862
  H       0.070884      1.614649      7.211219
  H      -3.609877      4.594329      6.503742
  H      -2.339901      5.536870      5.698793
  H      -1.540100      4.036723      7.711313
  H      -0.636767      3.924778      6.185106
  H      -4.504116      1.546414      8.630422
  H      -4.066125      3.200987      8.152761
  H      -2.468284      0.628754      7.766807
  H      -1.958146      2.066639      8.691614
  C      -6.410815      2.214185     -0.916882
  C      -5.658748      1.673464      0.270480
  O      -4.493082      2.024421      0.486928
  C      -6.332619      0.692418      1.164308
  C      -7.631032      0.191531      0.964011
  C      -8.183772     -0.700591      1.879849
  C      -7.443690     -1.099186      2.992414
  F      -8.028747     -1.933339      3.866848
  C      -6.135816     -0.632619      3.222857
  C      -5.240554     -1.101938      4.323080
  O      -5.428549     -2.151474      4.941644
  N      -4.103269     -0.310740      4.501984
  C      -2.981302     -0.855886      5.015385
  C      -5.624997      0.255286      2.282480
  C      -9.368836      8.827939      0.136598
  C      -8.255326      7.816563      0.291834
  O      -8.187695      6.834681     -0.447106
  C      -7.239269      8.043106      1.361339
  C      -7.383458      9.034345      2.348129
  C      -6.437612      9.154649      3.360503
  C      -5.355474      8.277760      3.394148
  F      -4.464966      8.428336      4.398249
  C      -5.161135      7.285024      2.424465
  C      -4.074589      6.242989      2.400599
  O      -3.632592      5.862816      1.309514
  N      -3.731838      5.742956      3.643192
  C      -3.404791      4.461949      3.622306
  C      -6.117075      7.207086      1.408159
  C     -11.934164      2.383515      0.285409
  C     -11.155290      1.781206      1.436279
  O     -11.517465      0.724604      1.951654
  C      -9.938796      2.493581      1.918275
  C      -9.357747      3.556945      1.203946
  C      -8.178719      4.140974      1.650658
  C      -7.581109      3.657462      2.813475
  F      -6.451782      4.270498      3.222902
  C      -8.137048      2.618602      3.575928
  C      -7.590801      2.109565      4.882420
  O      -8.398348      1.706197      5.737355
  N      -6.223101      2.169808      5.037780
  C      -5.808426      2.074642      6.307302
  C      -9.329266      2.064564      3.103198
  H      -7.346245      2.692244     -0.593400
  H      -5.787810      2.946297     -1.440741
  H      -6.676803      1.396078     -1.604823
  H      -8.227322      0.510225      0.108998
  H      -9.203999     -1.065308      1.760671
  H      -2.894706     -1.897995      5.345282
  H      -4.614872      0.611705      2.433179
  H     -10.007215      8.829085      1.033936
  H      -8.966569      9.845409      0.024881
  H      -9.975195      8.567012     -0.737247
  H      -8.242008      9.706249      2.339774
  H      -6.523750      9.915855      4.136392
  H      -3.566480      3.880573      2.703853
  H      -5.989871      6.449470      0.634459
  H     -12.835412      1.785980      0.111841
  H     -11.323000      2.388097     -0.630654
  H     -12.211087      3.427708      0.491401
  H      -9.818524      3.932477      0.289566
  H      -7.720305      4.972792      1.115187
  H      -6.514670      2.149803      7.149240
  H      -9.790374      1.261789      3.679309
  N      -2.478203      1.630449      2.713853
  H      -2.052542      0.713360      2.538957
  H      -1.760839      2.336464      2.519844
  H      -3.192522      1.767734      1.975016
90
Coordinates from ORCA-job orca E -6670.660210843541
  N      -2.084685      0.104878      5.212790
  Mo     -3.274417      1.745609      4.873735
  N      -4.535980      1.916759      6.541296
  C      -3.994018      2.149507      7.873516
  C      -2.536160      1.747769      7.820773
  N      -1.898632      2.274719      6.569224
  C      -0.605218      1.555569      6.340172
  C      -0.872944      0.087961      6.000386
  C      -1.651285      3.761512      6.642016
  C      -2.736322      4.526736      5.902861
  N      -3.003599      3.777670      4.674520
  H      -0.013821     -0.309441      5.434440
  H      -0.987725     -0.537531      6.900474
  H      -0.125407      2.047217      5.484093
  H       0.055435      1.663297      7.217204
  H      -3.661302      4.612669      6.494954
  H      -2.401278      5.550039      5.675659
  H      -1.569664      4.070727      7.695125
  H      -0.684529      3.953161      6.157836
  H      -4.515944      1.557841      8.644249
  H      -4.096532      3.212050      8.154695
  H      -2.469090      0.653870      7.787293
  H      -1.972175      2.105705      8.697789
  C      -6.415625      2.181846     -0.919568
  C      -5.661359      1.638941      0.265230
  O      -4.513723      2.033121      0.504393
  C      -6.324531      0.645777      1.153966
  C      -7.608863      0.113205      0.942735
  C      -8.148341     -0.788268      1.857590
  C      -7.410902     -1.163189      2.980399
  F      -7.985033     -2.012390      3.848759
  C      -6.114143     -0.672752      3.219757
  C      -5.210401     -1.142922      4.313155
  O      -5.402994     -2.187710      4.941162
  N      -4.095905     -0.330991      4.510425
  C      -2.972393     -0.865610      5.036905
  C      -5.618484      0.229801      2.282846
  C      -9.341913      9.063765      0.215161
  C      -8.281446      7.994463      0.354771
  O      -8.311104      6.987747     -0.352461
  C      -7.219633      8.167614      1.387724
  C      -7.263700      9.186637      2.357526
  C      -6.277495      9.267657      3.335076
  C      -5.258355      8.318982      3.352054
  F      -4.307706      8.445876      4.303922
  C      -5.162312      7.300953      2.395603
  C      -4.110698      6.225561      2.374015
  O      -3.656357      5.831249      1.294524
  N      -3.785597      5.724666      3.615645
  C      -3.452261      4.452942      3.609213
  C      -6.152781      7.260472      1.409254
  C     -11.975360      2.280369      0.293643
  C     -11.184513      1.685645      1.439530
  O     -11.540615      0.634506      1.969088
  C      -9.959523      2.398257      1.901106
  C      -9.389695      3.457285      1.172014
  C      -8.208189      4.050360      1.601580
  C      -7.603246      3.584659      2.767122
  F      -6.476824      4.211198      3.164311
  C      -8.143787      2.547893      3.542824
  C      -7.599893      2.080139      4.865475
  O      -8.402582      1.632459      5.701585
  N      -6.234673      2.152916      5.038429
  C      -5.826739      2.058504      6.309619
  C      -9.333910      1.976489      3.081797
  H      -7.351812      2.656836     -0.587027
  H      -5.795300      2.919944     -1.439080
  H      -6.684624      1.368783     -1.611084
  H      -8.201452      0.409703      0.077371
  H      -9.157765     -1.182169      1.737689
  H      -2.870391     -1.912503      5.347827
  H      -4.622099      0.617484      2.444462
  H      -9.944902      9.127625      1.134385
  H      -8.889107     10.053667      0.056016
  H      -9.997673      8.815610     -0.626082
  H      -8.069710      9.920099      2.360692
  H      -6.283705     10.051556      4.093193
  H      -3.600336      3.859529      2.697485
  H      -6.096031      6.479893      0.645895
  H     -12.882208      1.686812      0.137200
  H     -11.378883      2.277260     -0.632105
  H     -12.242351      3.327746      0.499330
  H      -9.861556      3.827177      0.261290
  H      -7.762424      4.879418      1.049913
  H      -6.538049      2.130721      7.146894
  H      -9.785127      1.177637      3.670044
  N      -2.453788      1.609339      2.740840
  H      -2.011639      0.697616      2.580005
  H      -1.737834      2.322739      2.568323
  H      -3.149184      1.734145      1.981388
90
Coordinates from ORCA-job orca E -6670.661044952354
  N      -2.103675      0.114151      5.192546
  Mo     -3.301292      1.755661      4.882756
  N      -4.526190      1.906804      6.580702
  C      -3.967912      2.112629      7.907572
  C      -2.510404      1.714708      7.821348
  N      -1.895743      2.264555      6.568365
  C      -0.605714      1.552097      6.305315
  C      -0.877192      0.088882      5.954046
  C      -1.648478      3.750036      6.665770
  C      -2.741752      4.523892      5.950733
  N      -3.024014      3.789764      4.716283
  H      -0.029129     -0.300094      5.366022
  H      -0.973609     -0.547402      6.848307
  H      -0.142685      2.055069      5.446008
  H       0.070831      1.651535      7.170680
  H      -3.659321      4.597776      6.555997
  H      -2.410721      5.550572      5.733685
  H      -1.559166      4.040747      7.723350
  H      -0.685969      3.953037      6.177641
  H      -4.476065      1.503587      8.673680
  H      -4.067802      3.169152      8.211785
  H      -2.442685      0.622109      7.767006
  H      -1.931351      2.058640      8.694064
  C      -6.424561      2.156701     -0.959593
  C      -5.681305      1.643851      0.245516
  O      -4.538073      2.047939      0.489752
  C      -6.346672      0.658218      1.140448
  C      -7.633970      0.131609      0.933653
  C      -8.177131     -0.761968      1.853983
  C      -7.438910     -1.137891      2.975807
  F      -8.016079     -1.978694      3.850287
  C      -6.139335     -0.652394      3.211387
  C      -5.232752     -1.125172      4.302150
  O      -5.413136     -2.183903      4.910965
  N      -4.116343     -0.317431      4.501121
  C      -2.977892     -0.860962      4.993628
  C      -5.640567      0.243088      2.269759
  C      -9.338666      8.928066      0.128416
  C      -8.245784      7.896348      0.294544
  O      -8.211717      6.896949     -0.422860
  C      -7.222892      8.105020      1.360404
  C      -7.337393      9.114658      2.333391
  C      -6.385155      9.228431      3.340932
  C      -5.328502      8.321942      3.383788
  F      -4.416523      8.476024      4.368738
  C      -5.164922      7.312408      2.427187
  C      -4.080351      6.270210      2.425537
  O      -3.587184      5.902597      1.353771
  N      -3.777817      5.757250      3.670401
  C      -3.462810      4.480106      3.657248
  C      -6.122471      7.240723      1.411370
  C     -11.947333      2.361107      0.328180
  C     -11.159603      1.756583      1.471160
  O     -11.529469      0.712093      2.004654
  C      -9.922766      2.452618      1.926405
  C      -9.338252      3.499506      1.191459
  C      -8.145858      4.074641      1.615097
  C      -7.544257      3.603410      2.780082
  F      -6.404456      4.210527      3.170364
  C      -8.100535      2.580120      3.562358
  C      -7.565712      2.108265      4.886002
  O      -8.380365      1.690009      5.726902
  N      -6.201754      2.168722      5.071711
  C      -5.811419      2.065263      6.350115
  C      -9.301682      2.027403      3.107564
  H      -7.363549      2.638473     -0.647912
  H      -5.800454      2.882975     -1.490767
  H      -6.686436      1.326871     -1.633883
  H      -8.226961      0.427774      0.068264
  H      -9.189413     -1.148977      1.736291
  H      -2.861618     -1.917506      5.261257
  H      -4.640083      0.621819      2.427556
  H      -9.972277      8.960772      1.028518
  H      -8.916667      9.934914     -0.006553
  H      -9.957396      8.664852     -0.735943
  H      -8.172675      9.814688      2.315901
  H      -6.445788     10.005821      4.103184
  H      -3.618273      3.893188      2.741365
  H      -6.012383      6.469525      0.646156
  H     -12.863236      1.780139      0.176917
  H     -11.355382      2.348383     -0.600243
  H     -12.198878      3.412233      0.533529
  H      -9.806484      3.872663      0.280098
  H      -7.687061      4.892454      1.058392
  H      -6.530294      2.134576      7.180588
  H      -9.764014      1.238356      3.700605
  N      -2.503770      1.631109      2.741733
  H      -2.070167      0.716946      2.567779
  H      -1.781141      2.338265      2.571799
  H      -3.200036      1.770876      1.985796
90
Coordinates from ORCA-job orca E -6670.661576841560
  N      -2.128858      0.122218      5.183272
  Mo     -3.331073      1.767515      4.894494
  N      -4.518321      1.907388      6.617000
  C      -3.945129      2.090037      7.939257
  C      -2.488446      1.693982      7.823774
  N      -1.894427      2.258553      6.567189
  C      -0.608956      1.550456      6.274497
  C      -0.886203      0.090825      5.915619
  C      -1.644796      3.741879      6.680894
  C      -2.746727      4.524078      5.990216
  N      -3.044579      3.803441      4.752100
  H      -0.050932     -0.292709      5.306017
  H      -0.962426     -0.553384      6.806079
  H      -0.161002      2.061530      5.411703
  H       0.082835      1.642164      7.128525
  H      -3.655625      4.592459      6.609096
  H      -2.416823      5.552470      5.779637
  H      -1.540666      4.018489      7.740798
  H      -0.689481      3.951292      6.181525
  H      -4.442227      1.467273      8.701384
  H      -4.041920      3.141102      8.262634
  H      -2.422266      0.602449      7.754614
  H      -1.894866      2.027496      8.690759
  C      -6.444975      2.125313     -0.999916
  C      -5.715225      1.654362      0.230640
  O      -4.580868      2.078020      0.483205
  C      -6.379352      0.675028      1.132390
  C      -7.666667      0.147639      0.928102
  C      -8.209694     -0.740239      1.853407
  C      -7.469192     -1.114420      2.974378
  F      -8.045277     -1.953000      3.851746
  C      -6.168930     -0.629208      3.206919
  C      -5.256599     -1.109809      4.290476
  O      -5.425075     -2.184579      4.874438
  N      -4.141947     -0.303643      4.497890
  C      -2.993047     -0.854466      4.964341
  C      -5.672297      0.264733      2.262902
  C      -9.346434      8.810234      0.088532
  C      -8.225211      7.812562      0.269964
  O      -8.148041      6.816200     -0.448678
  C      -7.226201      8.053115      1.351645
  C      -7.389333      9.057017      2.322581
  C      -6.458162      9.200844      3.346145
  C      -5.372700      8.329290      3.405587
  F      -4.485810      8.505859      4.409205
  C      -5.163245      7.325108      2.451964
  C      -4.052791      6.311386      2.467811
  O      -3.525513      5.967467      1.404195
  N      -3.770091      5.788261      3.713899
  C      -3.472359      4.506344      3.697430
  C      -6.099910      7.224423      1.420794
  C     -11.911312      2.421503      0.341183
  C     -11.134828      1.815951      1.491283
  O     -11.522208      0.782883      2.034490
  C      -9.883026      2.492416      1.935727
  C      -9.280531      3.520392      1.188938
  C      -8.075517      4.075585      1.603317
  C      -7.479375      3.603388      2.770504
  F      -6.322597      4.187140      3.147152
  C      -8.055804      2.602410      3.567244
  C      -7.534862      2.136362      4.897838
  O      -8.362242      1.740744      5.737959
  N      -6.173182      2.187539      5.101861
  C      -5.799990      2.078624      6.386466
  C      -9.268719      2.069133      3.120575
  H      -7.389093      2.612165     -0.714586
  H      -5.817708      2.837758     -1.545586
  H      -6.697078      1.274468     -1.651204
  H      -8.260296      0.440133      0.061890
  H      -9.222246     -1.127372      1.738539
  H      -2.865290     -1.919284      5.188864
  H      -4.670386      0.641516      2.416852
  H      -9.994084      8.822321      0.979135
  H      -8.953709      9.829717     -0.039110
  H      -9.943434      8.528957     -0.785395
  H      -8.247427      9.728731      2.291683
  H      -6.557541      9.974366      4.108114
  H      -3.635150      3.923068      2.779999
  H      -5.951963      6.460006      0.656866
  H     -12.837814      1.855761      0.196591
  H     -11.319723      2.387107     -0.586890
  H     -12.143559      3.479229      0.534308
  H      -9.743261      3.892974      0.274445
  H      -7.602209      4.877410      1.036131
  H      -6.526498      2.146080      7.210019
  H      -9.745513      1.296469      3.723763
  N      -2.536803      1.650493      2.751166
  H      -2.112767      0.733478      2.567278
  H      -1.804259      2.350215      2.593734
  H      -3.226982      1.808404      1.993653
90
Coordinates from ORCA-job orca E -6670.662013369178
  N      -2.142928      0.130938      5.184567
  Mo     -3.360470      1.770099      4.904681
  N      -4.520271      1.897767      6.641624
  C      -3.937272      2.065289      7.961106
  C      -2.478290      1.682192      7.824443
  N      -1.903757      2.261515      6.565454
  C      -0.615973      1.567624      6.251968
  C      -0.885921      0.107559      5.890597
  C      -1.666256      3.745598      6.688662
  C      -2.780920      4.522985      6.013152
  N      -3.078706      3.809183      4.771872
  H      -0.059397     -0.265977      5.263063
  H      -0.937960     -0.541580      6.779369
  H      -0.184789      2.087290      5.385729
  H       0.087026      1.660427      7.096750
  H      -3.685286      4.580290      6.639622
  H      -2.460212      5.555398      5.807290
  H      -1.552826      4.014275      7.749579
  H      -0.718904      3.967628      6.179696
  H      -4.422389      1.427929      8.718713
  H      -4.039362      3.110893      8.299905
  H      -2.405151      0.591939      7.744789
  H      -1.876770      2.012747      8.687041
  C      -6.439678      2.069319     -1.036721
  C      -5.719514      1.628574      0.210816
  O      -4.597833      2.077516      0.476001
  C      -6.383389      0.655776      1.119133
  C      -7.670174      0.126063      0.915863
  C      -8.213116     -0.756503      1.845777
  C      -7.471484     -1.127053      2.967510
  F      -8.047341     -1.962997      3.847596
  C      -6.172370     -0.638850      3.199357
  C      -5.256773     -1.121940      4.279985
  O      -5.411294     -2.210121      4.842265
  N      -4.152740     -0.306613      4.500393
  C      -2.993125     -0.852389      4.952063
  C      -5.677442      0.253329      2.252893
  C      -9.335885      8.818727      0.078069
  C      -8.217311      7.819609      0.267788
  O      -8.138569      6.821490     -0.448557
  C      -7.219240      8.065460      1.348652
  C      -7.382906      9.074856      2.313019
  C      -6.452658      9.225444      3.336705
  C      -5.367095      8.353942      3.402589
  F      -4.482038      8.535279      4.406387
  C      -5.158771      7.342850      2.455293
  C      -4.050373      6.327408      2.480497
  O      -3.518424      5.979688      1.419525
  N      -3.780424      5.801029      3.728214
  C      -3.493276      4.516030      3.716100
  C      -6.093311      7.236511      1.423884
  C     -11.900651      2.427002      0.354676
  C     -11.126233      1.825546      1.508386
  O     -11.521334      0.801157      2.062206
  C      -9.873013      2.501765      1.950057
  C      -9.268597      3.525707      1.199570
  C      -8.061553      4.078351      1.611435
  C      -7.465488      3.607144      2.778704
  F      -6.304121      4.185500      3.148939
  C      -8.044688      2.612042      3.580423
  C      -7.526791      2.147127      4.912235
  O      -8.357955      1.755034      5.750431
  N      -6.166273      2.196036      5.126404
  C      -5.801464      2.074074      6.412922
  C      -9.260045      2.082071      3.136568
  H      -7.388472      2.557300     -0.769683
  H      -5.811422      2.773868     -1.591241
  H      -6.683695      1.204580     -1.672196
  H      -8.263776      0.414198      0.048253
  H      -9.225434     -1.145291      1.734063
  H      -2.849221     -1.921509      5.143484
  H      -4.675887      0.632933      2.404319
  H      -9.987368      8.837073      0.965724
  H      -8.941116      9.836858     -0.053805
  H      -9.929337      8.533249     -0.796955
  H      -8.241853      9.745305      2.276668
  H      -6.553735     10.003997      4.093196
  H      -3.654256      3.931688      2.798941
  H      -5.942811      6.470220      0.663251
  H     -12.830517      1.865451      0.215213
  H     -11.309741      2.381602     -0.573353
  H     -12.126892      3.487473      0.539302
  H      -9.729890      3.895731      0.283264
  H      -7.585679      4.875166      1.040127
  H      -6.531979      2.134274      7.233178
  H      -9.738674      1.312931      3.742876
  N      -2.554908      1.658399      2.762753
  H      -2.135582      0.740384      2.573719
  H      -1.815793      2.354505      2.621551
  H      -3.237261      1.829695      2.001498
90
Coordinates from ORCA-job orca E -6670.662392894294
  N      -2.167244      0.139488      5.192580
  Mo     -3.393854      1.776331      4.915845
  N      -4.523270      1.904103      6.664719
  C      -3.929675      2.062488      7.980430
  C      -2.469840      1.685749      7.825066
  N      -1.912272      2.269205      6.560159
  C      -0.625606      1.582575      6.229169
  C      -0.894715      0.121871      5.869074
  C      -1.679575      3.753190      6.685105
  C      -2.804846      4.527518      6.024363
  N      -3.109050      3.817807      4.783302
  H      -0.080464     -0.246677      5.222794
  H      -0.922710     -0.529560      6.757579
  H      -0.208458      2.106186      5.358577
  H       0.088327      1.675882      7.064784
  H      -3.703228      4.580690      6.659781
  H      -2.489470      5.561735      5.818555
  H      -1.552433      4.018710      7.745224
  H      -0.740878      3.980867      6.162815
  H      -4.405071      1.416211      8.736567
  H      -4.033656      3.104567      8.329072
  H      -2.394245      0.595925      7.742247
  H      -1.859171      2.016506      8.681124
  C      -6.455748      2.020187     -1.059032
  C      -5.745523      1.612726      0.205401
  O      -4.631823      2.078133      0.475028
  C      -6.406496      0.644174      1.120177
  C      -7.692393      0.110540      0.920029
  C      -8.233208     -0.767058      1.855502
  C      -7.488885     -1.131878      2.977449
  F      -8.061599     -1.966275      3.861192
  C      -6.190162     -0.641562      3.204868
  C      -5.268854     -1.129306      4.278979
  O      -5.410767     -2.229700      4.820340
  N      -4.175243     -0.305811      4.512228
  C      -3.008646     -0.847514      4.951372
  C      -5.698623      0.249074      2.255237
  C      -9.346030      8.834533      0.118274
  C      -8.224327      7.837096      0.299535
  O      -8.153146      6.836764     -0.414749
  C      -7.216330      8.085837      1.369957
  C      -7.369454      9.099602      2.331300
  C      -6.429426      9.254350      3.345605
  C      -5.344830      8.381392      3.405610
  F      -4.449612      8.565264      4.399450
  C      -5.147425      7.365419      2.460927
  C      -4.040845      6.347690      2.486270
  O      -3.504833      6.002482      1.426249
  N      -3.780513      5.816611      3.732818
  C      -3.507798      4.528014      3.724447
  C      -6.090974      7.254936      1.438781
  C     -11.865116      2.410099      0.331048
  C     -11.109355      1.827047      1.506484
  O     -11.515595      0.813810      2.072368
  C      -9.846718      2.492902      1.937389
  C      -9.227373      3.494941      1.169954
  C      -8.012299      4.036206      1.573227
  C      -7.423800      3.575483      2.748368
  F      -6.251396      4.139213      3.105103
  C      -8.018671      2.605174      3.568878
  C      -7.514009      2.156683      4.911666
  O      -8.354172      1.773948      5.745159
  N      -6.156002      2.204980      5.143778
  C      -5.804050      2.084105      6.434851
  C      -9.240956      2.085062      3.131659
  H      -7.406481      2.514714     -0.810998
  H      -5.824021      2.710934     -1.626838
  H      -6.697362      1.139983     -1.673515
  H      -8.287101      0.392661      0.051303
  H      -9.244822     -1.159263      1.748417
  H      -2.853433     -1.920006      5.113500
  H      -4.697329      0.632250      2.401748
  H      -9.988992      8.856268      1.011974
  H      -8.954009      9.852582     -0.022223
  H      -9.947493      8.544328     -0.749761
  H      -8.228599      9.769963      2.299380
  H      -6.523327     10.037381      4.098390
  H      -3.670993      3.942025      2.809083
  H      -5.947929      6.485394      0.680228
  H     -12.798956      1.854691      0.193721
  H     -11.264180      2.337898     -0.588928
  H     -12.082815      3.476567      0.489111
  H      -9.682846      3.856724      0.247471
  H      -7.525563      4.817352      0.989235
  H      -6.540512      2.143045      7.249467
  H      -9.731701      1.334412      3.751250
  N      -2.577104      1.660874      2.773991
  H      -2.163532      0.740757      2.583468
  H      -1.831137      2.352170      2.646775
  H      -3.252174      1.842642      2.009514
90
Coordinates from ORCA-job orca E -6670.662697524343
  N      -2.171581      0.151315      5.198873
  Mo     -3.412759      1.778750      4.921657
  N      -4.529950      1.897204      6.671187
  C      -3.933764      2.044087      7.987666
  C      -2.470645      1.681118      7.823231
  N      -1.922136      2.276602      6.560058
  C      -0.629838      1.605541      6.219838
  C      -0.887298      0.143892      5.852067
  C      -1.705096      3.762046      6.692865
  C      -2.839472      4.526796      6.036735
  N      -3.130936      3.823470      4.789711
  H      -0.080931     -0.211327      5.188713
  H      -0.891489     -0.514178      6.736421
  H      -0.223121      2.139642      5.350999
  H       0.087014      1.700140      7.052850
  H      -3.739902      4.563958      6.670370
  H      -2.536838      5.566520      5.839394
  H      -1.577839      4.022875      7.754092
  H      -0.770904      4.002889      6.168362
  H      -4.401677      1.383492      8.735979
  H      -4.045901      3.080737      8.349421
  H      -2.386941      0.592352      7.733330
  H      -1.859316      2.011013      8.679154
  C      -6.472544      1.980001     -1.070403
  C      -5.760479      1.590915      0.198867
  O      -4.655926      2.075458      0.471119
  C      -6.414047      0.623335      1.120376
  C      -7.700079      0.086487      0.928434
  C      -8.234892     -0.788379      1.869924
  C      -7.483175     -1.149521      2.988052
  F      -8.048678     -1.983539      3.876882
  C      -6.183453     -0.658312      3.205001
  C      -5.252406     -1.150877      4.268062
  O      -5.380210     -2.261141      4.792431
  N      -4.174888     -0.312518      4.517206
  C      -3.002863     -0.842497      4.951694
  C      -5.698977      0.232765      2.252348
  C      -9.329956      8.858487      0.127314
  C      -8.207078      7.860981      0.304376
  O      -8.141071      6.859709     -0.409035
  C      -7.195462      8.108078      1.371265
  C      -7.341477      9.124277      2.331351
  C      -6.397629      9.277729      3.342423
  C      -5.316780      8.400644      3.401208
  F      -4.417131      8.582516      4.391154
  C      -5.125593      7.382662      2.457406
  C      -4.022515      6.360312      2.485096
  O      -3.481881      6.015631      1.427051
  N      -3.773308      5.827956      3.731499
  C      -3.505016      4.538218      3.724870
  C      -6.072712      7.272840      1.438373
  C     -11.868122      2.398600      0.328233
  C     -11.111558      1.818447      1.504829
  O     -11.520021      0.809537      2.076519
  C      -9.851093      2.488459      1.935751
  C      -9.235939      3.493959      1.169535
  C      -8.022618      4.038528      1.573659
  C      -7.432290      3.577213      2.747645
  F      -6.262722      4.144908      3.104743
  C      -8.021752      2.603273      3.566992
  C      -7.516015      2.152185      4.909136
  O      -8.354354      1.754153      5.736819
  N      -6.158371      2.207705      5.148065
  C      -5.811924      2.076271      6.440441
  C      -9.242595      2.080026      3.128576
  H      -7.427963      2.469886     -0.829102
  H      -5.845729      2.669783     -1.644917
  H      -6.707706      1.091802     -1.675645
  H      -8.300104      0.365135      0.062355
  H      -9.246688     -1.181975      1.771292
  H      -2.834553     -1.915893      5.096090
  H      -4.697702      0.620031      2.390555
  H      -9.970181      8.881305      1.022913
  H      -8.938935      9.876543     -0.016203
  H      -9.934001      8.566668     -0.738427
  H      -8.198901      9.796750      2.300153
  H      -6.487351     10.063410      4.093029
  H      -3.657985      3.955386      2.806493
  H      -5.935049      6.500374      0.681209
  H     -12.801462      1.842011      0.192398
  H     -11.266344      2.323553     -0.591026
  H     -12.086931      3.465432      0.482153
  H      -9.694162      3.857376      0.249101
  H      -7.539356      4.824259      0.992588
  H      -6.552138      2.123662      7.252021
  H      -9.731010      1.327391      3.747410
  N      -2.580546      1.669172      2.779134
  H      -2.171680      0.747945      2.585790
  H      -1.829747      2.357621      2.667206
  H      -3.249700      1.861044      2.013042
90
Coordinates from ORCA-job orca E -6670.662890511866
  N      -2.169419      0.167988      5.191436
  Mo     -3.437460      1.775904      4.925746
  N      -4.534629      1.875656      6.686519
  C      -3.931175      2.015899      7.999387
  C      -2.464000      1.674891      7.818756
  N      -1.936135      2.288555      6.555351
  C      -0.636836      1.641060      6.197807
  C      -0.874169      0.177920      5.821745
  C      -1.741124      3.776290      6.697976
  C      -2.889159      4.526696      6.047994
  N      -3.171501      3.825008      4.797387
  H      -0.073568     -0.157261      5.141221
  H      -0.851574     -0.487244      6.700506
  H      -0.247594      2.188549      5.329512
  H       0.086167      1.741971      7.024719
  H      -3.789258      4.541906      6.683159
  H      -2.605952      5.572810      5.856727
  H      -1.617269      4.032354      7.760771
  H      -0.810958      4.035519      6.175036
  H      -4.383374      1.339927      8.743795
  H      -4.054783      3.046805      8.373678
  H      -2.364788      0.588229      7.720326
  H      -1.850332      2.007655      8.671922
  C      -6.504758      1.931279     -1.067176
  C      -5.784197      1.550186      0.199693
  O      -4.681562      2.042826      0.464361
  C      -6.428061      0.583650      1.130113
  C      -7.716644      0.047696      0.954969
  C      -8.243086     -0.822902      1.906009
  C      -7.479889     -1.180346      3.017200
  F      -8.035999     -2.007943      3.918076
  C      -6.177077     -0.690336      3.216899
  C      -5.233264     -1.178363      4.270307
  O      -5.340578     -2.295796      4.785268
  N      -4.169172     -0.324720      4.520901
  C      -2.980715     -0.839039      4.936968
  C      -5.700578      0.195650      2.255582
  C      -9.308122      8.901176      0.114722
  C      -8.187438      7.901149      0.293067
  O      -8.116804      6.905159     -0.426738
  C      -7.182475      8.139804      1.368642
  C      -7.330377      9.152486      2.332954
  C      -6.393108      9.295937      3.351443
  C      -5.318117      8.412752      3.414357
  F      -4.422789      8.586108      4.410252
  C      -5.123378      7.399759      2.466701
  C      -4.024969      6.371803      2.497270
  O      -3.477903      6.028447      1.443105
  N      -3.787026      5.835156      3.743580
  C      -3.528599      4.544660      3.732747
  C      -6.063711      7.299681      1.439313
  C     -11.848709      2.426450      0.320620
  C     -11.098664      1.838372      1.497497
  O     -11.523129      0.839643      2.075353
  C      -9.830356      2.493518      1.927577
  C      -9.202374      3.489530      1.158951
  C      -7.982210      4.019038      1.562089
  C      -7.399016      3.554245      2.738446
  F      -6.224179      4.109485      3.097254
  C      -8.000096      2.589592      3.559817
  C      -7.504048      2.139804      4.905537
  O      -8.349096      1.744968      5.728021
  N      -6.148012      2.191778      5.156597
  C      -5.815243      2.054045      6.453986
  C      -9.226871      2.079548      3.121204
  H      -7.460465      2.420088     -0.823382
  H      -5.883671      2.620679     -1.648529
  H      -6.739118      1.038927     -1.666681
  H      -8.325837      0.323502      0.094420
  H      -9.257211     -1.213193      1.819801
  H      -2.790786     -1.911186      5.062190
  H      -4.697307      0.581470      2.381943
  H      -9.954581      8.917567      1.005997
  H      -8.914964      9.919882     -0.018212
  H      -9.906499      8.616877     -0.757423
  H      -8.183582      9.830078      2.298961
  H      -6.483748     10.078706      4.105106
  H      -3.674827      3.966447      2.810196
  H      -5.925412      6.529062      0.678994
  H     -12.790305      1.883237      0.187797
  H     -11.249510      2.339886     -0.599326
  H     -12.051642      3.496933      0.471571
  H      -9.656499      3.857176      0.238232
  H      -7.487773      4.797829      0.981018
  H      -6.561724      2.096244      7.259395
  H      -9.725124      1.334836      3.741646
  N      -2.617922      1.676146      2.775722
  H      -2.208147      0.755904      2.578788
  H      -1.868375      2.365641      2.661947
  H      -3.290527      1.867321      2.012690
90
Coordinates from ORCA-job orca E -6670.663015164400
  N      -2.177301      0.177742      5.202268
  Mo     -3.457425      1.774067      4.933684
  N      -4.543712      1.869146      6.694203
  C      -3.939109      2.012615      8.005894
  C      -2.468914      1.687441      7.821031
  N      -1.947344      2.301337      6.555265
  C      -0.644128      1.662272      6.195078
  C      -0.872512      0.197712      5.812192
  C      -1.761512      3.790624      6.693158
  C      -2.918867      4.529155      6.049841
  N      -3.202158      3.826445      4.799825
  H      -0.081162     -0.125083      5.115345
  H      -0.829397     -0.472150      6.686535
  H      -0.259128      2.216814      5.329569
  H       0.077300      1.764495      7.022970
  H      -3.816545      4.532183      6.688453
  H      -2.649460      5.578756      5.858865
  H      -1.631583      4.051574      7.754080
  H      -0.837135      4.054783      6.162498
  H      -4.380330      1.326135      8.747302
  H      -4.074830      3.039665      8.385732
  H      -2.359028      0.601344      7.726164
  H      -1.857342      2.028610      8.672343
  C      -6.538546      1.883985     -1.068191
  C      -5.803804      1.514379      0.193995
  O      -4.696717      2.004041      0.442938
  C      -6.435429      0.547653      1.133493
  C      -7.725622      0.013592      0.972431
  C      -8.245419     -0.855913      1.928240
  C      -7.471048     -1.215302      3.030153
  F      -8.017103     -2.039621      3.940048
  C      -6.166762     -0.724552      3.217100
  C      -5.214511     -1.211300      4.263189
  O      -5.291413     -2.345470      4.745645
  N      -4.169642     -0.339435      4.535513
  C      -2.981248     -0.837839      4.950169
  C      -5.695657      0.160586      2.252246
  C      -9.298559      8.965679      0.142495
  C      -8.192273      7.949627      0.320691
  O      -8.143106      6.945045     -0.388603
  C      -7.169883      8.189309      1.380036
  C      -7.287784      9.218674      2.331081
  C      -6.333453      9.360991      3.333676
  C      -5.272867      8.460965      3.395587
  F      -4.360471      8.632392      4.377210
  C      -5.108598      7.429434      2.462910
  C      -4.030568      6.378601      2.487838
  O      -3.500751      6.022312      1.429758
  N      -3.799641      5.841986      3.735970
  C      -3.548359      4.548226      3.727322
  C      -6.063589      7.333337      1.448933
  C     -11.825973      2.409503      0.295517
  C     -11.080976      1.816170      1.473114
  O     -11.502482      0.808515      2.037647
  C      -9.818774      2.473914      1.916255
  C      -9.194266      3.484457      1.163522
  C      -7.978667      4.015288      1.578042
  C      -7.396214      3.538022      2.750011
  F      -6.225334      4.094018      3.120884
  C      -7.995461      2.559920      3.556916
  C      -7.503293      2.094089      4.897881
  O      -8.347290      1.678785      5.710908
  N      -6.149752      2.165731      5.159328
  C      -5.825903      2.029438      6.459677
  C      -9.217642      2.048739      3.106707
  H      -7.488464      2.381419     -0.819618
  H      -5.921975      2.562119     -1.667137
  H      -6.786302      0.984746     -1.652233
  H      -8.343526      0.290354      0.118334
  H      -9.261514     -1.241755      1.849251
  H      -2.780406     -1.908406      5.072607
  H      -4.689636      0.544508      2.366866
  H      -9.928813      9.008363      1.044411
  H      -8.889266      9.974645     -0.014142
  H      -9.916300      8.677785     -0.714787
  H      -8.129994      9.910144      2.298414
  H      -6.399932     10.156873      4.076060
  H      -3.693302      3.975123      2.803131
  H      -5.946821      6.552196      0.696986
  H     -12.759359      1.856468      0.146238
  H     -11.215792      2.342209     -0.618761
  H     -12.044287      3.475391      0.457150
  H      -9.648119      3.861900      0.246677
  H      -7.486813      4.806054      1.012147
  H      -6.577203      2.059636      7.260991
  H      -9.714013      1.292480      3.714876
  N      -2.637425      1.685523      2.774750
  H      -2.221329      0.768494      2.577154
  H      -1.894762      2.382093      2.662197
  H      -3.315019      1.871069      2.015729
90
Coordinates from ORCA-job orca E -6670.663185632275
  N      -2.177117      0.193966      5.186478
  Mo     -3.467043      1.781932      4.933266
  N      -4.547242      1.861119      6.700598
  C      -3.937676      1.989959      8.011030
  C      -2.466784      1.671841      7.815891
  N      -1.954988      2.305155      6.556206
  C      -0.648912      1.679648      6.182918
  C      -0.868536      0.217505      5.787810
  C      -1.780834      3.794274      6.710646
  C      -2.940794      4.529761      6.065883
  N      -3.208168      3.834984      4.807065
  H      -0.079384     -0.091632      5.082390
  H      -0.814841     -0.460372      6.655249
  H      -0.272434      2.245908      5.321237
  H       0.075603      1.779791      7.008377
  H      -3.842401      4.515643      6.698745
  H      -2.680837      5.583727      5.887095
  H      -1.661618      4.045251      7.775217
  H      -0.854196      4.071035      6.190536
  H      -4.373571      1.294012      8.746746
  H      -4.074199      3.012432      8.402913
  H      -2.351886      0.587658      7.706582
  H      -1.853251      2.005126      8.668989
  C      -6.557527      1.860328     -1.081503
  C      -5.832507      1.516375      0.193655
  O      -4.735809      2.026531      0.448196
  C      -6.453771      0.542377      1.132157
  C      -7.739586     -0.002467      0.972533
  C      -8.253821     -0.871109      1.932505
  C      -7.476947     -1.220065      3.035955
  F      -8.015363     -2.046852      3.948230
  C      -6.174433     -0.722916      3.218892
  C      -5.215903     -1.205982      4.261668
  O      -5.290735     -2.338233      4.749278
  N      -4.172669     -0.331154      4.529859
  C      -2.973508     -0.826253      4.932712
  C      -5.709609      0.161485      2.250369
  C      -9.278548      8.943129      0.142007
  C      -8.166917      7.934169      0.326311
  O      -8.120442      6.918456     -0.367058
  C      -7.143245      8.187198      1.381309
  C      -7.264441      9.223396      2.324537
  C      -6.310932      9.376212      3.326512
  C      -5.246715      8.480703      3.393620
  F      -4.336936      8.658042      4.377047
  C      -5.077859      7.444998      2.466926
  C      -3.995531      6.399864      2.501750
  O      -3.452179      6.046187      1.449676
  N      -3.775338      5.861519      3.751939
  C      -3.530763      4.566996      3.738118
  C      -6.033726      7.335690      1.454943
  C     -11.818565      2.390544      0.289729
  C     -11.076765      1.806258      1.473736
  O     -11.488086      0.790521      2.031212
  C      -9.819675      2.471988      1.919958
  C      -9.202937      3.490123      1.170666
  C      -7.992833      4.030479      1.588397
  C      -7.407266      3.553772      2.758968
  F      -6.242852      4.120935      3.132765
  C      -7.997375      2.566166      3.561300
  C      -7.501909      2.099429      4.900878
  O      -8.345553      1.680835      5.712992
  N      -6.148650      2.173482      5.165251
  C      -5.828307      2.027336      6.467207
  C      -9.215728      2.047455      3.109221
  H      -7.524523      2.332233     -0.850911
  H      -5.949972      2.552591     -1.673550
  H      -6.768511      0.951750     -1.665569
  H      -8.360067      0.267640      0.118185
  H      -9.267666     -1.263563      1.854958
  H      -2.763901     -1.895367      5.051045
  H      -4.705049      0.549018      2.362244
  H      -9.906235      8.991065      1.045534
  H      -8.874714      9.952535     -0.025363
  H      -9.897787      8.644217     -0.710365
  H      -8.109045      9.911656      2.287480
  H      -6.380957     10.175763      4.064560
  H      -3.665683      4.002980      2.806013
  H      -5.916695      6.547609      0.709945
  H     -12.746429      1.829564      0.135638
  H     -11.202037      2.325699     -0.620582
  H     -12.046293      3.455010      0.447165
  H      -9.659244      3.866151      0.254408
  H      -7.505238      4.826117      1.024992
  H      -6.581633      2.051074      7.266389
  H      -9.705731      1.284507      3.713988
  N      -2.669510      1.701539      2.768024
  H      -2.259758      0.782511      2.565597
  H      -1.923846      2.393691      2.647220
  H      -3.352949      1.890418      2.014537
90
Coordinates from ORCA-job orca E -6670.663332332975
  N      -2.183359      0.207157      5.174531
  Mo     -3.484804      1.787726      4.936133
  N      -4.544932      1.854925      6.716621
  C      -3.926407      1.973242      8.023277
  C      -2.455286      1.663611      7.812080
  N      -1.959593      2.310096      6.552797
  C      -0.653109      1.696657      6.162258
  C      -0.867122      0.236414      5.758564
  C      -1.794135      3.798394      6.718288
  C      -2.962081      4.530420      6.083904
  N      -3.227501      3.842935      4.820713
  H      -0.084813     -0.061227      5.040697
  H      -0.797384     -0.447305      6.620255
  H      -0.287542      2.272279      5.302105
  H       0.077841      1.795209      6.982321
  H      -3.860872      4.502759      6.720279
  H      -2.711709      5.587843      5.912720
  H      -1.672909      4.041814      7.784390
  H      -0.871389      4.085119      6.196802
  H      -4.353078      1.268749      8.756253
  H      -4.064008      2.991600      8.425528
  H      -2.335435      0.581074      7.693036
  H      -1.835575      1.993738      8.662021
  C      -6.604397      1.819222     -1.085578
  C      -5.875747      1.493766      0.192599
  O      -4.793414      2.031872      0.451380
  C      -6.484384      0.518927      1.137510
  C      -7.766799     -0.036027      0.986861
  C      -8.271161     -0.901618      1.954981
  C      -7.487000     -1.237404      3.057170
  F      -8.014475     -2.063096      3.976925
  C      -6.186077     -0.732292      3.229691
  C      -5.216170     -1.210641      4.264090
  O      -5.278431     -2.346781      4.745045
  N      -4.179542     -0.329177      4.531449
  C      -2.970591     -0.818833      4.918305
  C      -5.731938      0.149269      2.253924
  C      -9.261346      8.933039      0.123434
  C      -8.142865      7.933135      0.313434
  O      -8.079836      6.921732     -0.385001
  C      -7.131231      8.190040      1.379267
  C      -7.272208      9.218727      2.327696
  C      -6.330884      9.374352      3.340923
  C      -5.258673      8.488652      3.412541
  F      -4.361644      8.665809      4.407830
  C      -5.070170      7.461479      2.480418
  C      -3.977638      6.427809      2.523100
  O      -3.409053      6.091830      1.478539
  N      -3.773429      5.879851      3.772308
  C      -3.536708      4.583652      3.753483
  C      -6.014811      7.348044      1.458449
  C     -11.788084      2.415996      0.277279
  C     -11.046010      1.819869      1.455048
  O     -11.469927      0.812163      2.017612
  C      -9.787984      2.480183      1.907290
  C      -9.165576      3.498109      1.162416
  C      -7.955058      4.033557      1.585047
  C      -7.375657      3.552451      2.756746
  F      -6.210490      4.114656      3.135226
  C      -7.971864      2.565786      3.555702
  C      -7.485026      2.098363      4.898276
  O      -8.334785      1.680703      5.704739
  N      -6.134581      2.174811      5.177089
  C      -5.824863      2.025495      6.482812
  C      -9.190062      2.051437      3.098108
  H      -7.581963      2.270622     -0.858902
  H      -6.009794      2.523182     -1.677007
  H      -6.793509      0.905160     -1.668365
  H      -8.392537      0.223115      0.132989
  H      -9.282468     -1.301825      1.883662
  H      -2.750226     -1.886902      5.024016
  H      -4.728114      0.540438      2.357686
  H      -9.896936      8.971867      1.021830
  H      -8.864824      9.946589     -0.036375
  H      -9.871079      8.632699     -0.735288
  H      -8.122575      9.899612      2.286904
  H      -6.416327     10.167626      4.084054
  H      -3.668434      4.026160      2.816471
  H      -5.883890      6.565190      0.710280
  H     -12.722255      1.864819      0.125935
  H     -11.177281      2.348808     -0.636644
  H     -12.004345      3.482037      0.440347
  H      -9.617856      3.878020      0.245771
  H      -7.462897      4.829115      1.024800
  H      -6.583331      2.045755      7.276767
  H      -9.684612      1.289194      3.699824
  N      -2.705766      1.716743      2.765417
  H      -2.292067      0.799858      2.559998
  H      -1.963736      2.411873      2.638435
  H      -3.394235      1.901180      2.015529
90
Coordinates from ORCA-job orca E -6670.663459696440
  N      -2.178862      0.220200      5.164324
  Mo     -3.497018      1.786417      4.935412
  N      -4.547401      1.839291      6.721816
  C      -3.924904      1.955166      8.026418
  C      -2.451580      1.660543      7.807036
  N      -1.968931      2.319230      6.549192
  C      -0.657757      1.723114      6.148188
  C      -0.857812      0.262514      5.737542
  C      -1.820947      3.808041      6.721957
  C      -2.997937      4.528285      6.091000
  N      -3.252934      3.844872      4.823172
  H      -0.078166     -0.021326      5.011265
  H      -0.772775     -0.425188      6.594663
  H      -0.303150      2.308167      5.289825
  H       0.076467      1.824887      6.965053
  H      -3.896109      4.482872      6.726961
  H      -2.762469      5.590137      5.926649
  H      -1.703337      4.047793      7.789316
  H      -0.901628      4.108797      6.202366
  H      -4.342131      1.242639      8.757084
  H      -4.069712      2.969826      8.435688
  H      -2.321011      0.579897      7.682089
  H      -1.831529      1.992661      8.655967
  C      -6.650926      1.764873     -1.077777
  C      -5.909782      1.451339      0.196436
  O      -4.830177      1.999481      0.445309
  C      -6.502103      0.473538      1.148034
  C      -7.782791     -0.088532      1.011225
  C      -8.274102     -0.953660      1.986496
  C      -7.478293     -1.280890      3.082822
  F      -7.993441     -2.103615      4.012234
  C      -6.179116     -0.767093      3.242248
  C      -5.197853     -1.233671      4.270893
  O      -5.240347     -2.373117      4.745984
  N      -4.172148     -0.338478      4.533776
  C      -2.955975     -0.814766      4.912172
  C      -5.737608      0.112439      2.259063
  C      -9.244719      8.976334      0.125462
  C      -8.130779      7.971423      0.315239
  O      -8.069661      6.961988     -0.386180
  C      -7.119016      8.222910      1.382450
  C      -7.256627      9.250576      2.332197
  C      -6.315577      9.400561      3.346737
  C      -5.248235      8.508872      3.418907
  F      -4.349740      8.682729      4.413525
  C      -5.063659      7.482006      2.485503
  C      -3.976400      6.442784      2.529565
  O      -3.404139      6.107533      1.486462
  N      -3.784375      5.888032      3.777631
  C      -3.550216      4.590680      3.755395
  C      -6.006523      7.375738      1.461426
  C     -11.759586      2.431924      0.251274
  C     -11.027018      1.832466      1.433142
  O     -11.454383      0.821818      1.987990
  C      -9.769957      2.488180      1.894519
  C      -9.142997      3.509488      1.157944
  C      -7.933772      4.040840      1.588653
  C      -7.360416      3.552365      2.760392
  F      -6.196715      4.110950      3.147814
  C      -7.960533      2.561292      3.550624
  C      -7.479552      2.086891      4.892784
  O      -8.331854      1.660927      5.692036
  N      -6.131247      2.164976      5.180508
  C      -5.827601      2.006717      6.487309
  C      -9.177674      2.051349      3.085347
  H      -7.634399      2.200156     -0.845487
  H      -6.070954      2.478183     -1.672618
  H      -6.827907      0.847523     -1.659274
  H      -8.417414      0.163882      0.161931
  H      -9.284146     -1.358649      1.925448
  H      -2.721854     -1.879794      5.018766
  H      -4.734792      0.508892      2.352328
  H      -9.880540      9.017190      1.023549
  H      -8.843627      9.988269     -0.033204
  H      -9.855321      8.679593     -0.733927
  H      -8.103341      9.936019      2.291244
  H      -6.397312     10.193901      4.090232
  H      -3.672533      4.039610      2.813722
  H      -5.877636      6.595052      0.710763
  H     -12.692831      1.881692      0.091144
  H     -11.142142      2.367563     -0.658376
  H     -11.976651      3.497554      0.416337
  H      -9.591021      3.895409      0.241772
  H      -7.438062      4.839571      1.036248
  H      -6.589065      2.020516      7.278384
  H      -9.676241      1.286933      3.680839
  N      -2.734667      1.725497      2.759581
  H      -2.318196      0.810359      2.551501
  H      -1.996715      2.423576      2.625158
  H      -3.430212      1.905556      2.015253
90
Coordinates from ORCA-job orca E -6670.663562526660
  N      -2.179998      0.232215      5.158598
  Mo     -3.511182      1.787610      4.936865
  N      -4.551657      1.831162      6.731166
  C      -3.929985      1.955329      8.033945
  C      -2.454376      1.674717      7.812480
  N      -1.981293      2.333904      6.551376
  C      -0.668324      1.746544      6.146003
  C      -0.858778      0.285465      5.733467
  C      -1.844665      3.822952      6.720522
  C      -3.029483      4.533220      6.093225
  N      -3.280091      3.849859      4.824303
  H      -0.076272      0.009587      5.007155
  H      -0.769387     -0.403506      6.589064
  H      -0.318561      2.334801      5.287657
  H       0.067770      1.850683      6.961148
  H      -3.924533      4.478088      6.732258
  H      -2.803576      5.597305      5.929337
  H      -1.724667      4.065398      7.787095
  H      -0.930362      4.130590      6.196220
  H      -4.338948      1.240618      8.767239
  H      -4.084321      2.968943      8.442753
  H      -2.312756      0.595033      7.691344
  H      -1.836185      2.016416      8.658917
  C      -6.720813      1.721260     -1.071451
  C      -5.947239      1.402080      0.182145
  O      -4.861960      1.949048      0.408748
  C      -6.521669      0.426712      1.145636
  C      -7.807595     -0.128021      1.035063
  C      -8.287471     -0.984585      2.023128
  C      -7.475423     -1.307838      3.108526
  F      -7.979956     -2.118321      4.054521
  C      -6.171930     -0.798271      3.244231
  C      -5.178444     -1.257232      4.264800
  O      -5.205165     -2.400491      4.731190
  N      -4.166635     -0.348038      4.532796
  C      -2.945209     -0.811387      4.905504
  C      -5.740051      0.068937      2.245936
  C      -9.236113      9.025782      0.164298
  C      -8.129339      8.011756      0.344841
  O      -8.084176      6.999403     -0.353748
  C      -7.102516      8.259808      1.398726
  C      -7.220308      9.293017      2.343941
  C      -6.266685      9.439871      3.347629
  C      -5.207556      8.537219      3.413490
  F      -4.296617      8.709345      4.396628
  C      -5.043991      7.503218      2.483071
  C      -3.969715      6.450973      2.525696
  O      -3.414085      6.097353      1.478876
  N      -3.782507      5.896903      3.774204
  C      -3.560528      4.596640      3.755464
  C      -5.997173      7.402472      1.469328
  C     -11.721373      2.414258      0.210488
  C     -10.992842      1.812417      1.393187
  O     -11.416725      0.794478      1.937895
  C      -9.743508      2.473216      1.868297
  C      -9.118990      3.504366      1.143622
  C      -7.918262      4.043279      1.587651
  C      -7.350196      3.550995      2.760398
  F      -6.196853      4.120006      3.163388
  C      -7.945301      2.544905      3.535530
  C      -7.467740      2.060643      4.875532
  O      -8.319571      1.610332      5.661533
  N      -6.124313      2.149495      5.179154
  C      -5.831750      1.988751      6.488699
  C      -9.156399      2.030965      3.059623
  H      -7.699247      2.150751     -0.808879
  H      -6.158977      2.441197     -1.675611
  H      -6.910582      0.807535     -1.654405
  H      -8.456133      0.124202      0.196342
  H      -9.301079     -1.382646      1.980362
  H      -2.695891     -1.872133      5.018870
  H      -4.732112      0.456807      2.318499
  H      -9.854426      9.084657      1.073424
  H      -8.826600     10.031184     -0.013349
  H      -9.865637      8.726649     -0.680479
  H      -8.060800      9.986461      2.309530
  H      -6.332077     10.237735      4.087817
  H      -3.678781      4.048910      2.813224
  H      -5.883676      6.618797      0.720079
  H     -12.650567      1.859954      0.041117
  H     -11.099054      2.360066     -0.696447
  H     -11.945358      3.477428      0.382411
  H      -9.562511      3.893019      0.226447
  H      -7.426468      4.850213      1.044720
  H      -6.600871      1.996543      7.272418
  H      -9.653886      1.259457      3.646553
  N      -2.760124      1.738206      2.762131
  H      -2.331366      0.827771      2.557397
  H      -2.032294      2.444506      2.615244
  H      -3.462004      1.903156      2.020107
90
Coordinates from ORCA-job orca E -6670.663653389794
  N      -2.183221      0.247962      5.143777
  Mo     -3.521394      1.797766      4.934562
  N      -4.553414      1.828581      6.734816
  C      -3.927258      1.942003      8.036325
  C      -2.451982      1.665599      7.804789
  N      -1.986043      2.338737      6.548567
  C      -0.672020      1.761551      6.131959
  C      -0.858353      0.302626      5.709533
  C      -1.857537      3.827430      6.731622
  C      -3.046690      4.534875      6.109576
  N      -3.289569      3.861066      4.834681
  H      -0.080067      0.034867      4.975710
  H      -0.760206     -0.391963      6.559561
  H      -0.329973      2.358582      5.276674
  H       0.067724      1.862917      6.944044
  H      -3.942384      4.465036      6.746300
  H      -2.829207      5.602243      5.956588
  H      -1.740796      4.061253      7.800429
  H      -0.944436      4.145358      6.211283
  H      -4.331834      1.219709      8.764536
  H      -4.080908      2.951866      8.454435
  H      -2.310207      0.587304      7.671453
  H      -1.829778      1.998907      8.651624
  C      -6.744406      1.669167     -1.085951
  C      -5.976146      1.375578      0.177190
  O      -4.899212      1.938710      0.403487
  C      -6.542209      0.401748      1.147745
  C      -7.822422     -0.166934      1.040148
  C      -8.295297     -1.019477      2.035299
  C      -7.480824     -1.327349      3.123336
  F      -7.977766     -2.137139      4.073869
  C      -6.180839     -0.807718      3.253875
  C      -5.180590     -1.256921      4.272581
  O      -5.199071     -2.399061      4.742487
  N      -4.171912     -0.342060      4.532299
  C      -2.947106     -0.799464      4.897679
  C      -5.757290      0.057884      2.250332
  C      -9.219293      9.044322      0.169982
  C      -8.117763      8.026028      0.359236
  O      -8.079752      7.006264     -0.328852
  C      -7.087216      8.278967      1.408287
  C      -7.199965      9.319309      2.346546
  C      -6.243564      9.471049      3.346740
  C      -5.185986      8.567387      3.415555
  F      -4.273277      8.741667      4.396629
  C      -5.026274      7.527256      2.491768
  C      -3.951979      6.475055      2.539433
  O      -3.383546      6.127841      1.497727
  N      -3.778489      5.916281      3.787329
  C      -3.557129      4.616068      3.765185
  C      -5.982994      7.419983      1.481569
  C     -11.700021      2.399530      0.194343
  C     -10.975900      1.800483      1.381328
  O     -11.396552      0.778771      1.921215
  C      -9.731814      2.466544      1.862975
  C      -9.111034      3.504534      1.144846
  C      -7.914229      4.048322      1.594516
  C      -7.347209      3.554293      2.766986
  F      -6.199887      4.129828      3.177907
  C      -7.939237      2.541706      3.535956
  C      -7.463846      2.054706      4.875465
  O      -8.316909      1.602172      5.659027
  N      -6.121181      2.146954      5.182611
  C      -5.832883      1.983353      6.493272
  C      -9.145377      2.022113      3.053710
  H      -7.734816      2.079029     -0.837465
  H      -6.191840      2.396124     -1.690205
  H      -6.907865      0.747008     -1.663830
  H      -8.472408      0.071703      0.198616
  H      -9.304945     -1.427720      1.994534
  H      -2.690900     -1.858377      5.012696
  H      -4.752030      0.453935      2.319584
  H      -9.836746      9.115219      1.078881
  H      -8.804381     10.045778     -0.017481
  H      -9.851092      8.740660     -0.671443
  H      -8.039407     10.013853      2.309933
  H      -6.305980     10.273567      4.082139
  H      -3.667518      4.075363      2.817162
  H      -5.873722      6.629569      0.738341
  H     -12.624249      1.839178      0.017781
  H     -11.070936      2.350957     -0.708263
  H     -11.932564      3.460882      0.365981
  H      -9.554107      3.894847      0.228127
  H      -7.425320      4.860111      1.055777
  H      -6.604231      1.985155      7.274621
  H      -9.639803      1.244630      3.635460
  N      -2.796365      1.757052      2.752229
  H      -2.370478      0.846782      2.540317
  H      -2.070094      2.463244      2.596859
  H      -3.507101      1.922515      2.019009
90
Coordinates from ORCA-job orca E -6670.663714196549
  N      -2.184182      0.265585      5.129195
  Mo     -3.541470      1.802181      4.935649
  N      -4.556494      1.814205      6.744737
  C      -3.924713      1.920946      8.043403
  C      -2.447965      1.660055      7.799201
  N      -1.996711      2.347199      6.544986
  C      -0.680430      1.787195      6.114419
  C      -0.855127      0.329968      5.683205
  C      -1.882282      3.835643      6.738346
  C      -3.081345      4.535179      6.125784
  N      -3.319623      3.869285      4.846323
  H      -0.080631      0.074490      4.941022
  H      -0.742431     -0.369500      6.527509
  H      -0.351782      2.393880      5.260679
  H       0.065451      1.889977      6.920722
  H      -3.974487      4.449423      6.764114
  H      -2.875540      5.606025      5.981132
  H      -1.762758      4.062997      7.808233
  H      -0.975210      4.167037      6.215811
  H      -4.318271      1.187979      8.766994
  H      -4.084834      2.925384      8.471948
  H      -2.298234      0.584063      7.656407
  H      -1.822471      1.991972      8.644143
  C      -6.770669      1.611432     -1.099466
  C      -6.002155      1.336889      0.167923
  O      -4.929254      1.909394      0.388780
  C      -6.560601      0.368204      1.148531
  C      -7.840784     -0.203288      1.054362
  C      -8.304707     -1.050036      2.058900
  C      -7.481298     -1.349843      3.142559
  F      -7.968663     -2.155742      4.101389
  C      -6.180978     -0.828631      3.258881
  C      -5.169803     -1.271456      4.270016
  O      -5.173394     -2.416125      4.734131
  N      -4.171054     -0.345865      4.528011
  C      -2.935831     -0.789379      4.881983
  C      -5.766400      0.031268      2.246634
  C      -9.195199      9.066316      0.166448
  C      -8.097259      8.045515      0.364074
  O      -8.062662      7.020513     -0.316329
  C      -7.067451      8.301508      1.412904
  C      -7.178755      9.347225      2.345460
  C      -6.223504      9.502034      3.346329
  C      -5.168093      8.596675      3.421392
  F      -4.256889      8.771831      4.403581
  C      -5.009551      7.551529      2.503248
  C      -3.938151      6.496480      2.558351
  O      -3.360084      6.151409      1.521136
  N      -3.780527      5.932760      3.805593
  C      -3.568581      4.631087      3.779733
  C      -5.965080      7.440415      1.492346
  C     -11.681019      2.401436      0.183996
  C     -10.961667      1.800875      1.373143
  O     -11.383509      0.777609      1.909061
  C      -9.718826      2.465914      1.859342
  C      -9.098094      3.507837      1.146858
  C      -7.903810      4.052937      1.602155
  C      -7.339246      3.555528      2.774379
  F      -6.196557      4.134422      3.193469
  C      -7.929534      2.536625      3.536150
  C      -7.457227      2.042854      4.874068
  O      -8.312553      1.584847      5.652093
  N      -6.116097      2.136593      5.189919
  C      -5.835675      1.964251      6.502320
  C      -9.133595      2.016681      3.048722
  H      -7.765360      2.015254     -0.857817
  H      -6.223287      2.336832     -1.710169
  H      -6.925288      0.682032     -1.668145
  H      -8.497822      0.029208      0.216656
  H      -9.313837     -1.460711      2.028604
  H      -2.662703     -1.844991      4.988436
  H      -4.759976      0.426944      2.303333
  H      -9.812341      9.148220      1.074608
  H      -8.776133     10.064324     -0.030200
  H      -9.828125      8.757545     -0.672245
  H      -8.016990     10.042952      2.304035
  H      -6.285701     10.308482      4.077462
  H      -3.672672      4.095240      2.827750
  H      -5.856748      6.645280      0.753800
  H     -12.604556      1.841327      0.003020
  H     -11.048054      2.353626     -0.716025
  H     -11.914277      3.462637      0.355474
  H      -9.539853      3.901870      0.231080
  H      -7.416501      4.868874      1.067823
  H      -6.611415      1.956653      7.278931
  H      -9.627470      1.235410      3.625734
  N      -2.833763      1.774967      2.748665
  H      -2.400779      0.868981      2.532423
  H      -2.115236      2.487663      2.586892
  H      -3.551630      1.932772      2.021210
90
Coordinates from ORCA-job orca E -6670.663770300394
  N      -2.183597      0.280691      5.111013
  Mo     -3.554318      1.808969      4.934232
  N      -4.556157      1.804521      6.751103
  C      -3.920267      1.907778      8.047190
  C      -2.443137      1.656377      7.793700
  N      -2.002496      2.354389      6.541738
  C      -0.685783      1.806266      6.100209
  C      -0.853326      0.350362      5.662286
  C      -1.898118      3.842260      6.744742
  C      -3.105667      4.536424      6.142117
  N      -3.341454      3.879430      4.858111
  H      -0.078853      0.102072      4.917588
  H      -0.734513     -0.352859      6.502788
  H      -0.367113      2.419185      5.246950
  H       0.065843      1.909551      6.901186
  H      -3.995912      4.435733      6.782140
  H      -2.909464      5.610300      6.006641
  H      -1.775117      4.063329      7.815580
  H      -0.996394      4.184820      6.220105
  H      -4.306601      1.168786      8.768528
  H      -4.083696      2.909075      8.481975
  H      -2.289335      0.582015      7.643022
  H      -1.814280      1.985677      8.637125
  C      -6.807398      1.550495     -1.109880
  C      -6.031080      1.289360      0.155585
  O      -4.958327      1.866167      0.364812
  C      -6.581552      0.329115      1.149085
  C      -7.862763     -0.242804      1.071579
  C      -8.316948     -1.081237      2.087205
  C      -7.483999     -1.371305      3.166363
  F      -7.962807     -2.168996      4.136406
  C      -6.183339     -0.848877      3.267020
  C      -5.163482     -1.280418      4.274604
  O      -5.158028     -2.422919      4.743846
  N      -4.169576     -0.347175      4.522391
  C      -2.930421     -0.779599      4.869312
  C      -5.777372      0.001158      2.242760
  C      -9.175582      9.104538      0.169843
  C      -8.081605      8.079824      0.370646
  O      -8.050632      7.053409     -0.307748
  C      -7.052504      8.332954      1.420564
  C      -7.160939      9.380359      2.351665
  C      -6.206676      9.532453      3.353889
  C      -5.154863      8.623280      3.431800
  F      -4.244488      8.795213      4.415255
  C      -4.998806      7.576800      2.514809
  C      -3.931672      6.516898      2.572921
  O      -3.348890      6.173160      1.537617
  N      -3.783898      5.949589      3.819055
  C      -3.576933      4.646872      3.792238
  C      -5.953460      7.467851      1.502930
  C     -11.650702      2.390627      0.160574
  C     -10.937309      1.790668      1.353566
  O     -11.360337      0.766319      1.886465
  C      -9.699026      2.458412      1.847546
  C      -9.079351      3.505503      1.141825
  C      -7.891543      4.056995      1.606531
  C      -7.331603      3.559238      2.780830
  F      -6.198151      4.146923      3.212825
  C      -7.918143      2.531452      3.533314
  C      -7.449400      2.032456      4.870599
  O      -8.306621      1.570477      5.643998
  N      -6.109558      2.127439      5.193564
  C      -5.835177      1.950349      6.507611
  C      -9.117189      2.007100      3.037830
  H      -7.803847      1.949388     -0.867652
  H      -6.267238      2.274547     -1.728531
  H      -6.958923      0.615897     -1.670920
  H      -8.527742     -0.016553      0.238447
  H      -9.326090     -1.492815      2.070465
  H      -2.643183     -1.831429      4.977271
  H      -4.769899      0.396175      2.284974
  H      -9.792481      9.193282      1.077447
  H      -8.751933     10.099806     -0.031064
  H      -9.809595      8.794998     -0.667742
  H      -7.996708     10.078904      2.307795
  H      -6.267267     10.340075      4.083928
  H      -3.675375      4.115123      2.837778
  H      -5.847112      6.671126      0.765981
  H     -12.572248      1.829129     -0.026200
  H     -11.012104      2.344136     -0.735596
  H     -11.886749      3.451415      0.330900
  H      -9.517746      3.900940      0.225073
  H      -7.407854      4.879145      1.078117
  H      -6.614471      1.934588      7.280334
  H      -9.609648      1.220815      3.608998
  N      -2.871731      1.791370      2.742207
  H      -2.437021      0.887520      2.520057
  H      -2.158530      2.506692      2.568617
  H      -3.599442      1.943535      2.023468
90
Coordinates from ORCA-job orca E -6670.663807526299
  N      -2.183294      0.292188      5.100520
  Mo     -3.565068      1.813943      4.932440
  N      -4.558292      1.801691      6.753463
  C      -3.920601      1.905031      8.048087
  C      -2.443203      1.660278      7.789464
  N      -2.008644      2.363226      6.538095
  C      -0.691072      1.822395      6.091647
  C      -0.852812      0.366718      5.651271
  C      -1.910479      3.851020      6.744369
  C      -3.123331      4.540793      6.146719
  N      -3.358834      3.886585      4.861401
  H      -0.077546      0.122588      4.905974
  H      -0.730166     -0.337671      6.490322
  H      -0.378619      2.437757      5.237682
  H       0.063449      1.928360      6.889569
  H      -4.011581      4.432072      6.788044
  H      -2.933116      5.616172      6.014759
  H      -1.784817      4.070004      7.815325
  H      -1.012221      4.199133      6.217458
  H      -4.301980      1.162813      8.768652
  H      -4.086942      2.904930      8.484979
  H      -2.286718      0.586827      7.635167
  H      -1.812556      1.989109      8.631703
  C      -6.842264      1.494128     -1.111797
  C      -6.058002      1.245312      0.151187
  O      -4.986400      1.827448      0.350631
  C      -6.599528      0.290649      1.154891
  C      -7.878650     -0.287205      1.088358
  C      -8.323964     -1.119140      2.112936
  C      -7.484380     -1.397156      3.189992
  F      -7.955329     -2.188413      4.169161
  C      -6.185535     -0.868684      3.279809
  C      -5.159470     -1.288478      4.285607
  O      -5.148281     -2.426796      4.764973
  N      -4.168369     -0.349555      4.521415
  C      -2.925603     -0.772306      4.863110
  C      -5.788067     -0.025294      2.246701
  C      -9.170425      9.143856      0.197428
  C      -8.080302      8.114001      0.393812
  O      -8.058394      7.086295     -0.282952
  C      -7.043935      8.364234      1.437164
  C      -7.140524      9.415205      2.365777
  C      -6.179820      9.563892      3.362222
  C      -5.133639      8.648037      3.437597
  F      -4.217116      8.816143      4.416207
  C      -4.989146      7.597936      2.523028
  C      -3.929731      6.529592      2.577491
  O      -3.351957      6.183618      1.540193
  N      -3.784669      5.959715      3.822598
  C      -3.584998      4.655532      3.795899
  C      -5.950003      7.492691      1.516530
  C     -11.619135      2.382984      0.127377
  C     -10.912918      1.782987      1.324700
  O     -11.340527      0.760079      1.856525
  C      -9.678156      2.451740      1.826309
  C      -9.059731      3.504781      1.128427
  C      -7.877416      4.060378      1.601998
  C      -7.321133      3.559645      2.776556
  F      -6.194777      4.152459      3.219749
  C      -7.905245      2.524779      3.520729
  C      -7.441278      2.023964      4.859137
  O      -8.300886      1.559616      5.628149
  N      -6.102929      2.121410      5.189839
  C      -5.836765      1.944507      6.506877
  C      -9.099746      1.997366      3.017186
  H      -7.838788      1.892243     -0.868655
  H      -6.307340      2.214259     -1.739507
  H      -6.994526      0.554412     -1.664160
  H      -8.549165     -0.069516      0.257382
  H      -9.331187     -1.535459      2.105230
  H      -2.627241     -1.821287      4.969596
  H      -4.781941      0.374481      2.279476
  H      -9.781178      9.238480      1.108542
  H      -8.742664     10.136226     -0.009042
  H      -9.811015      8.835063     -0.635424
  H      -7.972159     10.118801      2.323716
  H      -6.231492     10.374214      4.089981
  H      -3.683050      4.123658      2.841903
  H      -5.852593      6.693070      0.781686
  H     -12.538592      1.820344     -0.066095
  H     -10.973916      2.337826     -0.764106
  H     -11.857990      3.443337      0.296299
  H      -9.495091      3.902556      0.211290
  H      -7.396649      4.889127      1.081225
  H      -6.620534      1.924143      7.274669
  H      -9.591802      1.206632      3.582496
  N      -2.900272      1.795513      2.735400
  H      -2.464640      0.892638      2.510553
  H      -2.190883      2.512242      2.552130
  H      -3.634551      1.942164      2.022648
90
Coordinates from ORCA-job orca E -6670.663837745087
  N      -2.176324      0.299634      5.088633
  Mo     -3.567231      1.817212      4.930416
  N      -4.557240      1.794328      6.751832
  C      -3.919517      1.896345      8.046488
  C      -2.441522      1.657853      7.786435
  N      -2.009878      2.366316      6.537264
  C      -0.690852      1.831332      6.088776
  C      -0.847243      0.376684      5.643212
  C      -1.916331      3.853426      6.748001
  C      -3.133048      4.541101      6.155428
  N      -3.367396      3.891838      4.867343
  H      -0.069035      0.137575      4.899299
  H      -0.723976     -0.330270      6.480056
  H      -0.380870      2.449791      5.236053
  H       0.063980      1.937887      6.886362
  H      -4.020065      4.425230      6.797104
  H      -2.947434      5.617879      6.028629
  H      -1.787761      4.069376      7.819264
  H      -1.021035      4.206069      6.219096
  H      -4.297769      1.150597      8.765037
  H      -4.089778      2.894404      8.486031
  H      -2.281574      0.585434      7.628435
  H      -1.811470      1.985769      8.629498
  C      -6.879106      1.473486     -1.101530
  C      -6.083474      1.227471      0.154970
  O      -5.012792      1.814023      0.346268
  C      -6.613685      0.270484      1.162303
  C      -7.890412     -0.313254      1.103644
  C      -8.326498     -1.144463      2.132403
  C      -7.479918     -1.416378      3.205557
  F      -7.942855     -2.206637      4.189351
  C      -6.182959     -0.881836      3.287518
  C      -5.151544     -1.293788      4.290733
  O      -5.136457     -2.428380      4.778778
  N      -4.160639     -0.351809      4.514559
  C      -2.916383     -0.767220      4.853875
  C      -5.794789     -0.038816      2.250443
  C      -9.159042      9.152046      0.190575
  C      -8.066712      8.124665      0.387887
  O      -8.039045      7.099625     -0.292765
  C      -7.035269      8.374312      1.436124
  C      -7.137389      9.423273      2.366604
  C      -6.181513      9.570853      3.367796
  C      -5.134811      8.655710      3.446146
  F      -4.222496      8.822822      4.429157
  C      -4.984723      7.608085      2.529863
  C      -3.924393      6.540624      2.586647
  O      -3.341348      6.198114      1.551185
  N      -3.784572      5.968121      3.830732
  C      -3.587337      4.663785      3.802933
  C      -5.940797      7.503898      1.518708
  C     -11.603005      2.391146      0.109449
  C     -10.902021      1.789196      1.308859
  O     -11.332606      0.766005      1.837626
  C      -9.668520      2.456324      1.816025
  C      -9.052073      3.515922      1.126194
  C      -7.873406      4.073035      1.606293
  C      -7.318448      3.566898      2.778991
  F      -6.196558      4.162221      3.230039
  C      -7.898981      2.523924      3.514390
  C      -7.436122      2.018158      4.851383
  O      -8.295638      1.547663      5.616262
  N      -6.098518      2.117002      5.186292
  C      -5.836219      1.933469      6.504080
  C      -9.090909      1.995875      3.005128
  H      -7.874888      1.869316     -0.851343
  H      -6.350822      2.194136     -1.734332
  H      -7.033620      0.532857     -1.651762
  H      -8.566604     -0.099225      0.276344
  H      -9.331663     -1.565569      2.132124
  H      -2.608768     -1.813940      4.958147
  H      -4.791392      0.368006      2.276649
  H      -9.773741      9.242038      1.099468
  H      -8.733398     10.146260     -0.011297
  H      -9.795267      8.843736     -0.645820
  H      -7.969408     10.126202      2.321358
  H      -6.237649     10.379861      4.096691
  H      -3.684273      4.133114      2.848621
  H      -5.838838      6.705809      0.782675
  H     -12.521618      1.828889     -0.089008
  H     -10.953400      2.346752     -0.778912
  H     -11.842476      3.451340      0.278309
  H      -9.486209      3.917880      0.210343
  H      -7.395163      4.907699      1.093012
  H      -6.622125      1.905447      7.269238
  H      -9.581680      1.199823      3.564028
  N      -2.912622      1.800372      2.729556
  H      -2.475850      0.898640      2.502141
  H      -2.206352      2.518624      2.540225
  H      -3.651668      1.943555      2.021245
90
Coordinates from ORCA-job orca E -6670.663862311685
  N      -2.171215      0.311105      5.079049
  Mo     -3.573685      1.820326      4.926902
  N      -4.560334      1.789231      6.748242
  C      -3.922220      1.889882      8.042853
  C      -2.443189      1.660208      7.780765
  N      -2.016243      2.374830      6.533645
  C      -0.694213      1.848624      6.083119
  C      -0.842158      0.394523      5.632952
  C      -1.931014      3.861690      6.747708
  C      -3.151701      4.543168      6.156129
  N      -3.380226      3.896124      4.865565
  H      -0.063078      0.163337      4.887419
  H      -0.713723     -0.314383      6.467271
  H      -0.388000      2.471330      5.232139
  H       0.059827      1.957755      6.881074
  H      -4.038473      4.417708      6.796217
  H      -2.974246      5.621674      6.033205
  H      -1.803642      4.076151      7.819438
  H      -1.037787      4.220277      6.219350
  H      -4.295630      1.139382      8.758985
  H      -4.097817      2.885501      8.485673
  H      -2.277261      0.589198      7.619232
  H      -1.814599      1.988768      8.624714
  C      -6.923142      1.434380     -1.085761
  C      -6.114856      1.195115      0.164007
  O      -5.048225      1.791563      0.347368
  C      -6.629854      0.234338      1.175444
  C      -7.902788     -0.358115      1.126032
  C      -8.328415     -1.187176      2.160940
  C      -7.474495     -1.448036      3.231009
  F      -7.927370     -2.235352      4.221709
  C      -6.180232     -0.904708      3.303241
  C      -5.142095     -1.304158      4.304170
  O      -5.119563     -2.433883      4.803174
  N      -4.153902     -0.355784      4.513632
  C      -2.905694     -0.760672      4.849182
  C      -5.802853     -0.064339      2.260249
  C      -9.152578      9.180901      0.210602
  C      -8.061888      8.150811      0.402496
  O      -8.039724      7.125857     -0.278448
  C      -7.025110      8.397987      1.446255
  C      -7.119996      9.447516      2.376917
  C      -6.160167      9.591273      3.374882
  C      -5.117187      8.671471      3.449851
  F      -4.201747      8.833920      4.431096
  C      -4.974160      7.623349      2.533275
  C      -3.919875      6.549939      2.587310
  O      -3.341773      6.203754      1.550314
  N      -3.782155      5.976116      3.831143
  C      -3.590495      4.670742      3.801748
  C      -5.933770      7.523483      1.524943
  C     -11.573828      2.394126      0.073084
  C     -10.880615      1.790754      1.276304
  O     -11.313408      0.765477      1.799219
  C      -9.652411      2.459262      1.794772
  C      -9.038811      3.528866      1.117462
  C      -7.865791      4.088007      1.608138
  C      -7.313432      3.573583      2.778477
  F      -6.196298      4.169858      3.239602
  C      -7.891322      2.520852      3.501925
  C      -7.431243      2.008378      4.837239
  O      -8.291648      1.530172      5.596125
  N      -6.095454      2.111570      5.179114
  C      -5.839355      1.923847      6.498506
  C      -9.078406      1.991634      2.982874
  H      -7.919506      1.823253     -0.827256
  H      -6.405478      2.158460     -1.723452
  H      -7.075174      0.492294     -1.634216
  H      -8.584904     -0.151580      0.301738
  H      -9.330626     -1.615199      2.167405
  H      -2.587019     -1.804439      4.950999
  H      -4.802859      0.350727      2.279593
  H      -9.762799      9.271229      1.122487
  H      -8.725673     10.174320      0.007591
  H      -9.793298      8.874670     -0.623123
  H      -7.949282     10.153823      2.334227
  H      -6.210716     10.400414      4.104003
  H      -3.685996      4.141244      2.846387
  H      -5.837344      6.725364      0.788155
  H     -12.488026      1.828364     -0.135521
  H     -10.915977      2.355929     -0.809490
  H     -11.819897      3.452555      0.243420
  H      -9.470562      3.936103      0.202836
  H      -7.388796      4.929955      1.105843
  H      -6.628363      1.888754      7.259865
  H      -9.568203      1.188353      3.532193
  N      -2.931503      1.799757      2.720317
  H      -2.495650      0.897641      2.492584
  H      -2.227053      2.517795      2.523480
  H      -3.675378      1.940213      2.016543
90
Coordinates from ORCA-job orca E -6670.663878412140
  N      -2.163878      0.321357      5.070756
  Mo     -3.577903      1.821709      4.923170
  N      -4.562932      1.780797      6.744054
  C      -3.925783      1.878577      8.039391
  C      -2.445410      1.659288      7.776295
  N      -2.022718      2.381070      6.531928
  C      -0.696892      1.864852      6.080362
  C      -0.835002      0.411826      5.623864
  C      -1.946727      3.867578      6.750587
  C      -3.170304      4.543005      6.158750
  N      -3.392070      3.898233      4.865739
  H      -0.054960      0.190296      4.876384
  H      -0.700932     -0.299815      6.454878
  H      -0.393234      2.493187      5.232666
  H       0.054789      1.975693      6.880276
  H      -4.057573      4.408789      6.796351
  H      -3.000400      5.623096      6.039589
  H      -1.822719      4.079932      7.823147
  H      -1.054785      4.232936      6.224711
  H      -4.294510      1.122138      8.751689
  H      -4.107868      2.870942      8.486846
  H      -2.272291      0.590022      7.610838
  H      -1.819367      1.988734      8.621846
  C      -6.961041      1.406492     -1.068545
  C      -6.141646      1.171802      0.174993
  O      -5.079639      1.778177      0.352751
  C      -6.641067      0.203855      1.187296
  C      -7.909305     -0.399028      1.144794
  C      -8.323848     -1.229436      2.183296
  C      -7.462950     -1.481172      3.249973
  F      -7.905089     -2.269267      4.244763
  C      -6.172107     -0.928188      3.314340
  C      -5.126665     -1.316363      4.311876
  O      -5.095849     -2.442452      4.818745
  N      -4.143156     -0.360910      4.511223
  C      -2.891191     -0.755709      4.843380
  C      -5.806358     -0.086663      2.268244
  C      -9.140015      9.203062      0.212080
  C      -8.053325      8.169107      0.405041
  O      -8.035918      7.142226     -0.273082
  C      -7.014337      8.414713      1.447269
  C      -7.105531      9.465394      2.376846
  C      -6.144765      9.607158      3.374244
  C      -5.104973      8.683762      3.449585
  F      -4.188732      8.844468      4.430471
  C      -4.965447      7.634418      2.533988
  C      -3.915177      6.557376      2.589379
  O      -3.336270      6.208910      1.553603
  N      -3.783876      5.981472      3.833199
  C      -3.595976      4.675610      3.802105
  C      -5.925564      7.536952      1.525755
  C     -11.559068      2.408770      0.052650
  C     -10.867067      1.797656      1.252584
  O     -11.296218      0.764872      1.763768
  C      -9.643569      2.466857      1.781512
  C      -9.035029      3.548530      1.118698
  C      -7.867187      4.109339      1.619349
  C      -7.314736      3.584286      2.785083
  F      -6.203876      4.183373      3.257407
  C      -7.887405      2.518580      3.493736
  C      -7.428111      1.995273      4.825017
  O      -8.288059      1.504833      5.576684
  N      -6.094153      2.102554      5.172845
  C      -5.842187      1.908383      6.492533
  C      -9.069548      1.988095      2.965127
  H      -7.958320      1.786855     -0.800950
  H      -6.454110      2.136235     -1.708403
  H      -7.109582      0.464482     -1.617983
  H      -8.596874     -0.199452      0.323386
  H      -9.322527     -1.665530      2.194327
  H      -2.562311     -1.796794      4.940586
  H      -4.809920      0.337212      2.283165
  H      -9.748354      9.297222      1.124867
  H      -8.709655     10.194478      0.006651
  H      -9.783383      8.897984     -0.620017
  H      -7.932547     10.174351      2.334413
  H      -6.192089     10.416988      4.102771
  H      -3.689157      4.147984      2.845295
  H      -5.831747      6.738307      0.789145
  H     -12.467209      1.837509     -0.167101
  H     -10.896600      2.387159     -0.826987
  H     -11.815585      3.462855      0.234353
  H      -9.467181      3.964019      0.207980
  H      -7.393380      4.959997      1.128853
  H      -6.633491      1.864616      7.250883
  H      -9.556303      1.175500      3.503288
  N      -2.944673      1.800892      2.712599
  H      -2.504605      0.900744      2.485299
  H      -2.245210      2.522431      2.510754
  H      -3.692525      1.935631      2.011972
90
Coordinates from ORCA-job orca E -6670.663892257307
  N      -2.158980      0.325797      5.067950
  Mo     -3.577211      1.821454      4.920986
  N      -4.564799      1.776056      6.739356
  C      -3.929010      1.871595      8.035671
  C      -2.447501      1.657935      7.773840
  N      -2.025975      2.383416      6.531300
  C      -0.697438      1.872870      6.080291
  C      -0.829588      0.420532      5.619059
  C      -1.955687      3.870007      6.752071
  C      -3.178955      4.541866      6.155709
  N      -3.393983      3.897392      4.861072
  H      -0.050018      0.205820      4.869124
  H      -0.691000     -0.293361      6.447347
  H      -0.394259      2.505326      5.235589
  H       0.051827      1.983783      6.882442
  H      -4.068293      4.403768      6.789595
  H      -3.012709      5.622651      6.037854
  H      -1.837189      4.081766      7.825368
  H      -1.062709      4.239120      6.230598
  H      -4.296048      1.111691      8.745177
  H      -4.115072      2.861855      8.486166
  H      -2.269556      0.589671      7.607045
  H      -1.824306      1.988512      8.621079
  C      -6.968395      1.393948     -1.062486
  C      -6.149345      1.166442      0.182692
  O      -5.091558      1.780062      0.360849
  C      -6.643196      0.195316      1.194816
  C      -7.910603     -0.409611      1.155459
  C      -8.321004     -1.241794      2.194270
  C      -7.456623     -1.493302      3.258325
  F      -7.894525     -2.282751      4.253792
  C      -6.166673     -0.937868      3.319705
  C      -5.118261     -1.321938      4.316151
  O      -5.082499     -2.447383      4.823809
  N      -4.136747     -0.363212      4.511388
  C      -2.883467     -0.753901      4.842919
  C      -5.805248     -0.094683      2.273376
  C      -9.132379      9.215975      0.209605
  C      -8.049692      8.178215      0.404100
  O      -8.035743      7.150355     -0.272569
  C      -7.009721      8.421348      1.446041
  C      -7.099323      9.470926      2.376808
  C      -6.138161      9.610194      3.374281
  C      -5.099627      8.685304      3.448018
  F      -4.183159      8.843521      4.429009
  C      -4.961729      7.636825      2.531102
  C      -3.913286      6.558227      2.586189
  O      -3.334380      6.208886      1.550599
  N      -3.783658      5.981912      3.830276
  C      -3.595547      4.675984      3.797941
  C      -5.922010      7.541934      1.522851
  C     -11.558975      2.416023      0.048116
  C     -10.863945      1.798868      1.243090
  O     -11.288510      0.760219      1.746453
  C      -9.644024      2.469909      1.777866
  C      -9.037800      3.557210      1.121931
  C      -7.873208      4.119575      1.628248
  C      -7.321179      3.590456      2.792724
  F      -6.214236      4.192310      3.270918
  C      -7.891383      2.518066      3.493619
  C      -7.431708      1.986956      4.821560
  O      -8.290963      1.489659      5.569799
  N      -6.098398      2.096051      5.169965
  C      -5.844704      1.898225      6.488341
  C      -9.070375      1.986316      2.959541
  H      -7.968914      1.765778     -0.795569
  H      -6.466784      2.128159     -1.701380
  H      -7.107908      0.450801     -1.612226
  H      -8.600991     -0.210183      0.336395
  H      -9.319125     -1.679176      2.206785
  H      -2.551013     -1.793958      4.939096
  H      -4.809548      0.330991      2.286982
  H      -9.741224      9.311883      1.121913
  H      -8.698598     10.206030      0.004872
  H      -9.776166      8.913360     -0.623049
  H      -7.925453     10.181014      2.336006
  H      -6.184003     10.418991      4.104027
  H      -3.686272      4.150416      2.839841
  H      -5.829574      6.744483      0.784877
  H     -12.463400      1.840982     -0.177092
  H     -10.896286      2.407023     -0.831536
  H     -11.822462      3.466728      0.239535
  H      -9.469751      3.975892      0.212552
  H      -7.400367      4.973792      1.143056
  H      -6.635212      1.848984      7.247321
  H      -9.555236      1.168689      3.491756
  N      -2.945947      1.799624      2.708849
  H      -2.505507      0.899360      2.483410
  H      -2.247396      2.521683      2.505898
  H      -3.695280      1.933445      2.009373
90
Coordinates from ORCA-job orca E -6670.663903092081
  N      -2.155141      0.329140      5.065711
  Mo     -3.578507      1.820070      4.919406
  N      -4.565721      1.770374      6.738170
  C      -3.930330      1.861883      8.034859
  C      -2.448128      1.653798      7.772008
  N      -2.029786      2.383997      6.531154
  C      -0.698974      1.880025      6.079307
  C      -0.825017      0.428604      5.613860
  C      -1.965095      3.870529      6.755602
  C      -3.187882      4.539940      6.155995
  N      -3.398874      3.895221      4.860777
  H      -0.046257      0.220345      4.861272
  H      -0.681295     -0.287375      6.439459
  H      -0.397379      2.516485      5.237095
  H       0.048837      1.991244      6.882760
  H      -4.078913      4.399991      6.787199
  H      -3.023350      5.621033      6.038579
  H      -1.852007      4.080411      7.829795
  H      -1.071087      4.243822      6.238908
  H      -4.295461      1.098132      8.741185
  H      -4.119055      2.849859      8.489449
  H      -2.266304      0.586623      7.602367
  H      -1.825963      1.984618      8.619922
  C      -6.974199      1.389602     -1.056379
  C      -6.154585      1.162883      0.188645
  O      -5.099023      1.780056      0.367695
  C      -6.644519      0.188770      1.199914
  C      -7.910559     -0.419591      1.162620
  C      -8.315953     -1.255096      2.200873
  C      -7.448524     -1.506192      3.262585
  F      -7.881556     -2.299419      4.257186
  C      -6.160057     -0.947647      3.321656
  C      -5.108000     -1.328949      4.315591
  O      -5.067919     -2.454568      4.822601
  N      -4.130185     -0.366720      4.511038
  C      -2.874612     -0.753411      4.839977
  C      -5.803402     -0.101800      2.275725
  C      -9.121276      9.234084      0.198929
  C      -8.046493      8.189253      0.398769
  O      -8.039799      7.157867     -0.272568
  C      -7.005642      8.429067      1.440695
  C      -7.091459      9.479729      2.370335
  C      -6.130224      9.616077      3.368228
  C      -5.095314      8.687294      3.443275
  F      -4.178631      8.843358      4.424165
  C      -4.961185      7.637373      2.527219
  C      -3.916972      6.554849      2.583669
  O      -3.338883      6.202077      1.548780
  N      -3.789080      5.979474      3.828575
  C      -3.602217      4.673455      3.797026
  C      -5.921352      7.545408      1.518607
  C     -11.558361      2.418766      0.048121
  C     -10.859156      1.795586      1.237403
  O     -11.276207      0.749264      1.731182
  C      -9.643692      2.470048      1.777935
  C      -9.041173      3.563331      1.128649
  C      -7.881638      4.130338      1.641608
  C      -7.330262      3.599532      2.805815
  F      -6.230581      4.208068      3.292368
  C      -7.895547      2.519022      3.498200
  C      -7.434826      1.981025      4.823027
  O      -8.292845      1.477079      5.568535
  N      -6.101884      2.090922      5.171176
  C      -5.845949      1.889953      6.488127
  C      -9.069950      1.983252      2.958179
  H      -7.975058      1.759623     -0.787947
  H      -6.474356      2.125554     -1.694604
  H      -7.112919      0.446906     -1.606916
  H      -8.603960     -0.220265      0.346108
  H      -9.313015     -1.695076      2.213959
  H      -2.538710     -1.792763      4.930925
  H      -4.808195      0.325242      2.288894
  H      -9.730536      9.337463      1.110180
  H      -8.680125     10.220332     -0.008396
  H      -9.766425      8.933506     -0.633392
  H      -7.914869     10.192956      2.329340
  H      -6.172834     10.425452      4.097532
  H      -3.693378      4.147972      2.838670
  H      -5.831728      6.747098      0.781168
  H     -12.456892      1.837455     -0.184509
  H     -10.895105      2.427284     -0.831026
  H     -11.832650      3.464450      0.251916
  H      -9.472730      3.983874      0.219927
  H      -7.412189      4.989220      1.161087
  H      -6.635667      1.836312      7.247759
  H      -9.551344      1.159942      3.484718
  N      -2.949569      1.800158      2.707035
  H      -2.504510      0.901965      2.482590
  H      -2.254739      2.525848      2.504343
  H      -3.699961      1.930342      2.007916
90
Coordinates from ORCA-job orca E -6670.663910692212
  N      -2.150787      0.335659      5.059804
  Mo     -3.580891      1.819871      4.916781
  N      -4.567154      1.763751      6.736001
  C      -3.931821      1.852794      8.032717
  C      -2.448796      1.651396      7.768538
  N      -2.034579      2.387204      6.529601
  C      -0.701433      1.891753      6.075720
  C      -0.819963      0.441149      5.605547
  C      -1.977421      3.873630      6.758020
  C      -3.200677      4.539088      6.154684
  N      -3.405946      3.895063      4.857994
  H      -0.041626      0.240059      4.850572
  H      -0.670270     -0.277132      6.428100
  H      -0.403589      2.532563      5.235443
  H       0.046405      2.004158      6.879004
  H      -4.093227      4.394560      6.782651
  H      -3.039714      5.620889      6.038932
  H      -1.870258      4.081219      7.833218
  H      -1.082716      4.252509      6.246670
  H      -4.294161      1.085373      8.736474
  H      -4.123796      2.838568      8.490903
  H      -2.262650      0.585494      7.595553
  H      -1.827474      1.982362      8.616991
  C      -6.988403      1.364762     -1.051174
  C      -6.165150      1.143514      0.192374
  O      -5.111127      1.764408      0.367525
  C      -6.649543      0.170512      1.207263
  C      -7.914869     -0.439771      1.176677
  C      -8.314213     -1.274206      2.217951
  C      -7.441783     -1.522596      3.276217
  F      -7.869223     -2.315105      4.273877
  C      -6.154326     -0.961678      3.328905
  C      -5.097634     -1.337443      4.320090
  O      -5.051158     -2.462235      4.828277
  N      -4.123765     -0.370409      4.510738
  C      -2.865680     -0.750701      4.836692
  C      -5.803333     -0.117294      2.279712
  C      -9.113536      9.254140      0.199875
  C      -8.043306      8.204852      0.400926
  O      -8.041237      7.172493     -0.268933
  C      -7.001315      8.441407      1.442377
  C      -7.084021      9.491531      2.372838
  C      -6.122080      9.624448      3.370548
  C      -5.089501      8.692997      3.444597
  F      -4.171968      8.845777      4.425149
  C      -4.958607      7.643363      2.527598
  C      -3.917578      6.557586      2.582939
  O      -3.339590      6.205169      1.547822
  N      -3.792076      5.980502      3.827189
  C      -3.606673      4.674058      3.794845
  C      -5.919302      7.554860      1.519321
  C     -11.548285      2.427858      0.036743
  C     -10.849995      1.799099      1.223562
  O     -11.267167      0.750305      1.711944
  C      -9.636982      2.473086      1.770107
  C      -9.035324      3.570989      1.127813
  C      -7.880403      4.140275      1.648433
  C      -7.332097      3.606970      2.812986
  F      -6.239425      4.220217      3.309396
  C      -7.894903      2.519849      3.496743
  C      -7.435799      1.975939      4.819785
  O      -8.294260      1.468081      5.562091
  N      -6.103366      2.085601      5.169381
  C      -5.847545      1.881296      6.485774
  C      -9.065609      1.982608      2.950014
  H      -7.990207      1.731093     -0.781247
  H      -6.493033      2.101622     -1.691816
  H      -7.124740      0.420447     -1.599548
  H      -8.612864     -0.241850      0.363754
  H      -9.310604     -1.715420      2.235785
  H      -2.523204     -1.787955      4.927069
  H      -4.808455      0.310616      2.288076
  H      -9.723510      9.360037      1.110359
  H      -8.668046     10.238567     -0.006785
  H      -9.758971      8.956123     -0.633149
  H      -7.905589     10.206945      2.332670
  H      -6.162221     10.433349      4.100545
  H      -3.696461      4.149863      2.835692
  H      -5.832251      6.756934      0.781221
  H     -12.444895      1.845843     -0.201482
  H     -10.883464      2.444375     -0.841076
  H     -11.825780      3.471427      0.247191
  H      -9.464398      3.993981      0.219063
  H      -7.413147      5.003620      1.173862
  H      -6.637530      1.823359      7.244899
  H      -9.545992      1.155162      3.470957
  N      -2.960444      1.799973      2.702999
  H      -2.514282      0.902212      2.478987
  H      -2.268034      2.526792      2.496166
  H      -3.714020      1.926872      2.006771
90
Coordinates from ORCA-job orca E -6670.663916155767
  N      -2.147060      0.339166      5.055966
  Mo     -3.581385      1.819319      4.915125
  N      -4.567852      1.759197      6.734428
  C      -3.932920      1.846295      8.031351
  C      -2.449421      1.648407      7.766714
  N      -2.037565      2.388149      6.529426
  C      -0.702860      1.898679      6.074329
  C      -0.815910      0.448839      5.600299
  C      -1.985200      3.874398      6.761390
  C      -3.207155      4.538491      6.153866
  N      -3.408719      3.894549      4.856433
  H      -0.037733      0.252915      4.843796
  H      -0.661912     -0.271436      6.420347
  H      -0.407476      2.542471      5.235423
  H       0.045142      2.011711      6.877372
  H      -4.101627      4.392843      6.778859
  H      -3.046553      5.620415      6.038781
  H      -1.884001      4.079534      7.837583
  H      -1.088718      4.256847      6.255872
  H      -4.294107      1.076620      8.733213
  H      -4.126628      2.830673      8.491975
  H      -2.261183      0.583318      7.590976
  H      -1.828373      1.978767      8.615559
  C      -6.999713      1.352050     -1.046277
  C      -6.174043      1.134459      0.196209
  O      -5.120678      1.757306      0.368477
  C      -6.654449      0.161902      1.213320
  C      -7.918907     -0.450418      1.187016
  C      -8.313087     -1.285440      2.229523
  C      -7.436702     -1.532791      3.284744
  F      -7.859712     -2.326170      4.283736
  C      -6.150465     -0.969231      3.333525
  C      -5.090020     -1.342858      4.321452
  O      -5.039052     -2.467980      4.828544
  N      -4.118749     -0.373044      4.510267
  C      -2.858976     -0.749399      4.833668
  C      -5.804349     -0.124197      2.283080
  C      -9.108588      9.266341      0.199247
  C      -8.041520      8.213986      0.401428
  O      -8.042522      7.181093     -0.267645
  C      -6.998944      8.448317      1.442607
  C      -7.079205      9.498627      2.373146
  C      -6.116830      9.629305      3.370683
  C      -5.086076      8.695824      3.444619
  F      -4.167715      8.846640      4.424694
  C      -4.957670      7.645934      2.527516
  C      -3.918331      6.558233      2.582006
  O      -3.340390      6.206606      1.546632
  N      -3.793934      5.979854      3.825442
  C      -3.609418      4.673309      3.793325
  C      -5.918844      7.559467      1.519601
  C     -11.540767      2.431457      0.028427
  C     -10.842720      1.799333      1.213607
  O     -11.259122      0.748538      1.698221
  C      -9.632010      2.474009      1.764412
  C      -9.032098      3.575843      1.127225
  C      -7.881389      4.148202      1.653642
  C      -7.335215      3.614274      2.818785
  F      -6.248742      4.232442      3.322844
  C      -7.894816      2.521693      3.496174
  C      -7.436770      1.974563      4.818368
  O      -8.295339      1.464533      5.558827
  N      -6.104353      2.083508      5.168169
  C      -5.848300      1.876598      6.484008
  C      -9.061966      1.981759      2.944270
  H      -8.001453      1.718499     -0.776246
  H      -6.505860      2.087317     -1.689911
  H      -7.136853      0.406007     -1.591520
  H      -8.620443     -0.253054      0.377017
  H      -9.308568     -1.728456      2.250806
  H      -2.512458     -1.785432      4.922586
  H      -4.810235      0.305447      2.288253
  H      -9.720082      9.373377      1.108574
  H      -8.660072     10.249688     -0.005971
  H      -9.753273      8.970257     -0.635057
  H      -7.899211     10.215817      2.332749
  H      -6.155208     10.438337      4.100664
  H      -3.699740      4.149205      2.834228
  H      -5.833728      6.761234      0.781602
  H     -12.435333      1.848136     -0.214206
  H     -10.874562      2.454569     -0.848168
  H     -11.821631      3.473152      0.243751
  H      -9.459021      3.999693      0.217892
  H      -7.417189      5.015355      1.183155
  H      -6.638277      1.816055      7.243010
  H      -9.540675      1.150899      3.461339
  N      -2.965967      1.799366      2.701060
  H      -2.519040      0.901919      2.477120
  H      -2.274986      2.526908      2.492058
  H      -3.721272      1.924139      2.006440
90
Coordinates from ORCA-job orca E -6670.663920077062
  N      -2.142755      0.344456      5.051308
  Mo     -3.583059      1.818654      4.913061
  N      -4.569206      1.752769      6.732397
  C      -3.934333      1.837287      8.029498
  C      -2.450226      1.644410      7.763832
  N      -2.041971      2.390011      6.529034
  C      -0.705240      1.908768      6.071643
  C      -0.811145      0.459752      5.593227
  C      -1.996562      3.875816      6.766240
  C      -3.217821      4.537254      6.154471
  N      -3.413441      3.894389      4.855545
  H      -0.033475      0.270331      4.834542
  H      -0.651294     -0.262494      6.410437
  H      -0.413747      2.556436      5.234332
  H       0.043182      2.023131      6.874101
  H      -4.114282      4.388083      6.775786
  H      -3.059532      5.619697      6.041330
  H      -1.902566      4.077379      7.843716
  H      -1.098395      4.263597      6.267856
  H      -4.293264      1.064273      8.728858
  H      -4.130719      2.819557      8.493540
  H      -2.258952      0.580534      7.583989
  H      -1.829578      1.973636      8.613385
  C      -7.011910      1.334060     -1.041725
  C      -6.182956      1.120694      0.199209
  O      -5.130378      1.745944      0.367718
  C      -6.658713      0.148876      1.219215
  C      -7.922738     -0.464509      1.198726
  C      -8.311990     -1.298280      2.243978
  C      -7.431053     -1.543809      3.295885
  F      -7.849376     -2.336312      4.297634
  C      -6.145331     -0.978790      3.338886
  C      -5.080450     -1.349768      4.322983
  O      -5.023928     -2.475097      4.829075
  N      -4.112621     -0.376191      4.509393
  C      -2.850408     -0.747092      4.829957
  C      -5.804158     -0.134787      2.285993
  C      -9.104308      9.274452      0.200439
  C      -8.038420      8.220882      0.402982
  O      -8.041046      7.187634     -0.265572
  C      -6.995267      8.454545      1.443554
  C      -7.073966      9.505350      2.373811
  C      -6.111331      9.634930      3.371180
  C      -5.081800      8.700110      3.445315
  F      -4.163205      8.849354      4.425497
  C      -4.954901      7.649895      2.528463
  C      -3.916726      6.560932      2.583108
  O      -3.337676      6.210282      1.548024
  N      -3.795231      5.980743      3.825587
  C      -3.611687      4.674123      3.792686
  C      -5.916283      7.564378      1.520740
  C     -11.533959      2.440416      0.019930
  C     -10.837797      1.805916      1.204975
  O     -11.255463      0.754621      1.687366
  C      -9.627741      2.479402      1.758763
  C      -9.028280      3.584051      1.125858
  C      -7.879901      4.157054      1.656458
  C      -7.335276      3.621031      2.821282
  F      -6.252168      4.240870      3.330719
  C      -7.893354      2.524578      3.493512
  C      -7.436679      1.974421      4.814944
  O      -8.296057      1.463595      5.553668
  N      -6.104247      2.081599      5.165750
  C      -5.849500      1.870590      6.481360
  C      -9.058762      1.984448      2.937991
  H      -8.013244      1.701206     -0.771275
  H      -6.519793      2.067077     -1.689258
  H      -7.150262      0.385932     -1.583085
  H      -8.628043     -0.268248      0.391751
  H      -9.306868     -1.742389      2.270114
  H      -2.498512     -1.781446      4.917272
  H      -4.810716      0.296242      2.286482
  H      -9.717219      9.380966      1.108875
  H      -8.654751     10.257656     -0.003076
  H      -9.747916      8.979411     -0.635074
  H      -7.893092     10.223509      2.332870
  H      -6.148854     10.444228      4.100928
  H      -3.701080      4.150819      2.832878
  H      -5.832365      6.765797      0.782928
  H     -12.427925      1.857492     -0.225798
  H     -10.866094      2.465923     -0.855339
  H     -11.815494      3.481517      0.237256
  H      -9.453442      4.009636      0.216535
  H      -7.417295      5.026915      1.189536
  H      -6.640106      1.807327      7.239464
  H      -9.537075      1.151415      3.451947
  N      -2.972851      1.798922      2.698267
  H      -2.526326      0.901285      2.473995
  H      -2.282361      2.526279      2.487010
  H      -3.729739      1.922744      2.005225
90
Coordinates from ORCA-job orca E -6670.663832893426
  N      -2.132083      0.366748      5.031623
  Mo     -3.591786      1.820904      4.904138
  N      -4.575314      1.733161      6.723570
  C      -3.939723      1.807095      8.021069
  C      -2.453813      1.631299      7.750835
  N      -2.058055      2.398286      6.525610
  C      -0.715180      1.944671      6.058836
  C      -0.798580      0.499395      5.563914
  C      -2.035624      3.881731      6.782633
  C      -3.255058      4.534730      6.158502
  N      -3.429097      3.898485      4.853270
  H      -0.024039      0.332745      4.796715
  H      -0.618807     -0.229904      6.370664
  H      -0.436937      2.606739      5.228261
  H       0.034531      2.061988      6.859661
  H      -4.157562      4.370570      6.767146
  H      -3.106737      5.619370      6.054417
  H      -1.965291      4.069544      7.864275
  H      -1.132540      4.287925      6.308477
  H      -4.289997      1.021626      8.711004
  H      -4.145329      2.781210      8.498132
  H      -2.252427      0.571945      7.555679
  H      -1.834507      1.955141      8.603430
  C      -7.085294      1.304045     -1.004617
  C      -6.236379      1.095121      0.223286
  O      -5.185404      1.727168      0.376124
  C      -6.691604      0.121360      1.251072
  C      -7.956439     -0.490471      1.256802
  C      -8.326175     -1.320867      2.311963
  C      -7.424367     -1.565437      3.346597
  F      -7.822933     -2.355091      4.358703
  C      -6.137510     -1.001628      3.362339
  C      -5.053395     -1.366829      4.327529
  O      -4.977876     -2.492874      4.829486
  N      -4.096205     -0.381185      4.503447
  C      -2.825279     -0.734406      4.812540
  C      -5.816226     -0.160771      2.300984
  C      -9.079638      9.313290      0.217824
  C      -8.017355      8.255632      0.419133
  O      -8.027807      7.220376     -0.246297
  C      -6.969301      8.487500      1.454816
  C      -7.040121      9.540617      2.383448
  C      -6.074581      9.666613      3.378356
  C      -5.050133      8.726150      3.451627
  F      -4.129586      8.869325      4.431209
  C      -4.930687      7.674358      2.535985
  C      -3.898616      6.579591      2.591572
  O      -3.317033      6.229514      1.557505
  N      -3.789815      5.992558      3.831040
  C      -3.613047      4.685092      3.792535
  C      -5.894403      7.592260      1.530422
  C     -11.494630      2.410110     -0.032430
  C     -10.807963      1.782454      1.161758
  O     -11.226059      0.730717      1.642963
  C      -9.605587      2.462135      1.724931
  C      -9.009756      3.573445      1.099456
  C      -7.871833      4.155575      1.642013
  C      -7.332703      3.621347      2.810276
  F      -6.261406      4.250884      3.333096
  C      -7.885241      2.516540      3.473224
  C      -7.434209      1.966868      4.796646
  O      -8.296276      1.452480      5.529297
  N      -6.102939      2.073488      5.154078
  C      -5.854892      1.850938      6.469980
  C      -9.042053      1.968809      2.907263
  H      -8.082328      1.672822     -0.721482
  H      -6.603438      2.033937     -1.663347
  H      -7.232254      0.353269     -1.539103
  H      -8.678363     -0.293375      0.464912
  H      -9.320627     -1.764415      2.359525
  H      -2.455761     -1.763138      4.893130
  H      -4.823576      0.271011      2.280313
  H      -9.693452      9.419104      1.125775
  H      -8.627313     10.295690      0.017005
  H      -9.723138      9.021156     -0.618802
  H      -7.856089     10.262352      2.342486
  H      -6.107191     10.477081      4.107053
  H      -3.697704      4.167032      2.828494
  H      -5.816564      6.792412      0.793130
  H     -12.382579      1.821847     -0.287011
  H     -10.816917      2.437435     -0.900100
  H     -11.784279      3.450144      0.179298
  H      -9.429226      3.997316      0.186724
  H      -7.414313      5.031427      1.181441
  H      -6.648717      1.777147      7.223545
  H      -9.517981      1.130933      3.415533
  N      -2.999888      1.802604      2.685487
  H      -2.557340      0.903252      2.459426
  H      -2.309106      2.527461      2.466622
  H      -3.761992      1.926375      1.997974
90
Coordinates from ORCA-job orca E -6670.663928627187
  N      -2.131847      0.362348      5.036728
  Mo     -3.587995      1.820540      4.907341
  N      -4.574283      1.736957      6.726079
  C      -3.940135      1.813031      8.024069
  C      -2.454471      1.633866      7.756199
  N      -2.054929      2.396525      6.529450
  C      -0.712723      1.937754      6.065890
  C      -0.799354      0.492017      5.572885
  C      -2.028081      3.880564      6.782654
  C      -3.245922      4.536330      6.158217
  N      -3.423961      3.897797      4.854639
  H      -0.023071      0.322022      4.808189
  H      -0.624097     -0.236674      6.381193
  H      -0.430914      2.597448      5.234619
  H       0.035746      2.054218      6.868003
  H      -4.148537      4.377594      6.768202
  H      -3.093532      5.620201      6.051433
  H      -1.955619      4.070925      7.863721
  H      -1.124479      4.282816      6.306078
  H      -4.292863      1.030013      8.715477
  H      -4.144494      2.788769      8.498417
  H      -2.255154      0.573596      7.564160
  H      -1.835608      1.958661      8.608735
  C      -7.060058      1.286422     -1.027808
  C      -6.219522      1.086667      0.207369
  O      -5.172510      1.723898      0.365496
  C      -6.677767      0.114738      1.235416
  C      -7.939171     -0.504205      1.232765
  C      -8.311741     -1.335275      2.286164
  C      -7.416371     -1.573284      3.327679
  F      -7.817988     -2.364376      4.337474
  C      -6.132959     -1.002333      3.352534
  C      -5.054102     -1.364723      4.324744
  O      -4.980183     -2.491019      4.826390
  N      -4.096079     -0.380579      4.504582
  C      -2.827416     -0.736975      4.815633
  C      -5.808585     -0.160734      2.292456
  C      -9.085076      9.303673      0.208012
  C      -8.023266      8.245987      0.411428
  O      -8.032384      7.210696     -0.253977
  C      -6.976935      8.478040      1.448854
  C      -7.049465      9.531382      2.376973
  C      -6.084930      9.658585      3.372710
  C      -5.059696      8.719093      3.447402
  F      -4.139078      8.865167      4.426362
  C      -4.938598      7.666841      2.532346
  C      -3.904545      6.573793      2.587922
  O      -3.323393      6.223923      1.553563
  N      -3.791955      5.988743      3.828299
  C      -3.612834      4.681544      3.792813
  C      -5.901673      7.583397      1.526200
  C     -11.513931      2.443690     -0.008605
  C     -10.823238      1.807546      1.178722
  O     -11.239562      0.752439      1.653981
  C      -9.618270      2.482682      1.741662
  C      -9.021783      3.594959      1.118934
  C      -7.880291      4.171808      1.659861
  C      -7.338868      3.631687      2.824264
  F      -6.264069      4.256068      3.345825
  C      -7.892488      2.526172      3.484972
  C      -7.438160      1.969730      4.804606
  O      -8.298892      1.455410      5.538941
  N      -6.105846      2.074478      5.158234
  C      -5.854288      1.853899      6.473382
  C      -9.052249      1.983279      2.920339
  H      -8.060944      1.651496     -0.753338
  H      -6.576712      2.015975     -1.685813
  H      -7.198883      0.332906     -1.559554
  H      -8.655998     -0.313135      0.434764
  H      -9.303940     -1.784393      2.326980
  H      -2.461039     -1.766793      4.896828
  H      -4.817634      0.275631      2.278176
  H      -9.699685      9.410701      1.115270
  H      -8.632206     10.285729      0.006639
  H      -9.727917      9.011053     -0.628957
  H      -7.865678     10.252782      2.334907
  H      -6.118361     10.469644      4.100712
  H      -3.699031      4.161462      2.830834
  H      -5.822536      6.783094      0.789691
  H     -12.402870      1.857324     -0.264097
  H     -10.839400      2.477244     -0.878506
  H     -11.802680      3.482200      0.211686
  H      -9.443184      4.023504      0.209279
  H      -7.421737      5.047950      1.200754
  H      -6.646608      1.781746      7.228800
  H      -9.528567      1.144520      3.426772
  N      -2.992016      1.802828      2.690065
  H      -2.546291      0.904985      2.464444
  H      -2.303122      2.529964      2.472851
  H      -3.753262      1.924414      2.001386
90
Coordinates from ORCA-job orca E -6670.663828389878
  N      -2.119580      0.362948      5.032651
  Mo     -3.585672      1.811361      4.906265
  N      -4.571656      1.720754      6.724738
  C      -3.938262      1.794461      8.023187
  C      -2.451590      1.625453      7.754288
  N      -2.056950      2.394465      6.529730
  C      -0.711392      1.946236      6.064954
  C      -0.787457      0.501389      5.567498
  C      -2.040537      3.878220      6.786365
  C      -3.259925      4.528043      6.158589
  N      -3.431794      3.889307      4.854256
  H      -0.010905      0.340360      4.801151
  H      -0.605902     -0.228326      6.373432
  H      -0.433772      2.610774      5.236203
  H       0.035254      2.065570      6.868333
  H      -4.163408      4.364278      6.766060
  H      -3.113289      5.612808      6.052759
  H      -1.974087      4.066713      7.868129
  H      -1.137340      4.287334      6.314822
  H      -4.286540      1.006564      8.711289
  H      -4.148383      2.767052      8.501476
  H      -2.245610      0.567088      7.558812
  H      -1.834903      1.951288      8.608055
  C      -7.110920      1.289542     -0.987113
  C      -6.257653      1.088318      0.239210
  O      -5.214637      1.733110      0.392472
  C      -6.696332      0.102751      1.262919
  C      -7.952453     -0.527036      1.268125
  C      -8.307328     -1.369609      2.318761
  C      -7.399678     -1.607237      3.349584
  F      -7.784425     -2.408191      4.358114
  C      -6.120795     -1.026067      3.365548
  C      -5.030581     -1.383971      4.326792
  O      -4.946350     -2.510415      4.826474
  N      -4.079052     -0.393200      4.504068
  C      -2.807162     -0.741146      4.810867
  C      -5.813994     -0.173877      2.308743
  C      -9.109099      9.272512      0.195474
  C      -8.046537      8.216542      0.403300
  O      -8.054665      7.178326     -0.257494
  C      -7.000695      8.453486      1.440346
  C      -7.076019      9.508947      2.365587
  C      -6.111938      9.641348      3.361194
  C      -5.084332      8.704678      3.438230
  F      -4.164051      8.856369      4.416549
  C      -4.960302      7.650396      2.525843
  C      -3.923212      6.560574      2.584082
  O      -3.338608      6.211677      1.551255
  N      -3.808735      5.978560      3.826168
  C      -3.623579      4.672187      3.792032
  C      -5.923190      7.561646      1.519871
  C     -11.468961      2.531236     -0.039366
  C     -10.790941      1.876871      1.145256
  O     -11.220074      0.821240      1.608010
  C      -9.584019      2.535904      1.722820
  C      -8.970817      3.645900      1.112460
  C      -7.826400      4.205834      1.665189
  C      -7.298936      3.650682      2.829120
  F      -6.219126      4.257353      3.361160
  C      -7.870552      2.547330      3.478329
  C      -7.429353      1.974841      4.795525
  O      -8.298775      1.462182      5.521090
  N      -6.098343      2.065989      5.156602
  C      -5.851315      1.836472      6.470858
  C      -9.032043      2.021405      2.901635
  H      -8.111811      1.644617     -0.699650
  H      -6.639826      2.028024     -1.644024
  H      -7.247276      0.339051     -1.524725
  H      -8.678941     -0.336134      0.478873
  H      -9.295476     -1.827127      2.365797
  H      -2.433667     -1.768622      4.888957
  H      -4.826889      0.271543      2.288702
  H      -9.723465      9.382299      1.102598
  H      -8.657268     10.254261     -0.009673
  H      -9.752055      8.976431     -0.640173
  H      -7.894115     10.228126      2.322189
  H      -6.147157     10.454157      4.087122
  H      -3.706169      4.151823      2.830140
  H      -5.842033      6.759711      0.785378
  H     -12.360907      1.954648     -0.306414
  H     -10.788965      2.568947     -0.904798
  H     -11.751014      3.569547      0.190496
  H      -9.381573      4.085904      0.203389
  H      -7.353340      5.079009      1.214796
  H      -6.645259      1.762892      7.224456
  H      -9.521300      1.184213      3.398197
  N      -2.994906      1.797189      2.687337
  H      -2.542997      0.902561      2.461358
  H      -2.311994      2.529374      2.468153
  H      -3.758765      1.913040      2.000660
90
Coordinates from ORCA-job orca E -6670.663946123564
  N      -2.120921      0.372808      5.025924
  Mo     -3.591744      1.816398      4.904631
  N      -4.575645      1.719663      6.723960
  C      -3.940740      1.790225      8.021881
  C      -2.454043      1.624944      7.750503
  N      -2.063497      2.399844      6.528694
  C      -0.717063      1.958885      6.060036
  C      -0.787941      0.515413      5.557576
  C      -2.052485      3.882634      6.791597
  C      -3.270593      4.531564      6.160312
  N      -3.437311      3.895071      4.854226
  H      -0.012805      0.360544      4.788529
  H      -0.600694     -0.216491      6.360214
  H      -0.443828      2.627359      5.232978
  H       0.030913      2.078596      6.862118
  H      -4.175902      4.364692      6.764227
  H      -3.125389      5.616751      6.057144
  H      -1.992947      4.066348      7.874548
  H      -1.147484      4.296488      6.327722
  H      -4.286284      0.998963      8.707522
  H      -4.152618      2.760485      8.504120
  H      -2.246405      0.567800      7.550122
  H      -1.836605      1.948384      8.604627
  C      -7.092734      1.257274     -1.008192
  C      -6.243968      1.064854      0.222569
  O      -5.199048      1.707239      0.372974
  C      -6.687376      0.087897      1.252494
  C      -7.945601     -0.537511      1.260737
  C      -8.304265     -1.371638      2.316782
  C      -7.397995     -1.605916      3.349635
  F      -7.786143     -2.398787      4.363334
  C      -6.117595     -1.028087      3.363139
  C      -5.028707     -1.383104      4.326659
  O      -4.941979     -2.509335      4.826459
  N      -4.079563     -0.389944      4.502606
  C      -2.805660     -0.733548      4.806148
  C      -5.807175     -0.183621      2.301306
  C      -9.068500      9.334754      0.191622
  C      -8.014701      8.269808      0.398698
  O      -8.027847      7.235101     -0.267530
  C      -6.971045      8.494135      1.440586
  C      -7.041043      9.546781      2.369609
  C      -6.079523      9.667462      3.369122
  C      -5.059895      8.722108      3.446192
  F      -4.141962      8.861841      4.428645
  C      -4.941468      7.670142      2.530564
  C      -3.912798      6.572220      2.588126
  O      -3.326031      6.224303      1.556205
  N      -3.804419      5.987109      3.828925
  C      -3.623447      4.680167      3.792987
  C      -5.901391      7.592993      1.520861
  C     -11.496062      2.471156     -0.023681
  C     -10.805193      1.822885      1.156890
  O     -11.218955      0.760742      1.618737
  C      -9.606699      2.497926      1.733635
  C      -9.013517      3.620799      1.126938
  C      -7.877195      4.196921      1.679405
  C      -7.337607      3.645205      2.839333
  F      -6.267683      4.268162      3.372485
  C      -7.888823      2.529366      3.484736
  C      -7.436978      1.959834      4.799680
  O      -8.298394      1.434806      5.525676
  N      -6.105765      2.063301      5.157717
  C      -5.855947      1.832261      6.471544
  C      -9.043232      1.987262      2.908660
  H      -8.093000      1.619771     -0.728238
  H      -6.616299      1.986656     -1.671415
  H      -7.231639      0.301685     -1.536107
  H      -8.670928     -0.349142      0.469822
  H      -9.293684     -1.826115      2.366316
  H      -2.427421     -1.759386      4.883078
  H      -4.819103      0.259432      2.278786
  H      -9.687302      9.443112      1.095900
  H      -8.608683     10.314543     -0.004854
  H      -9.708717      9.048128     -0.649417
  H      -7.852958     10.272869      2.325331
  H      -6.110936     10.477950      4.097822
  H      -3.705292      4.161463      2.830013
  H      -5.824113      6.793304      0.783438
  H     -12.380693      1.883022     -0.289838
  H     -10.819080      2.520650     -0.890909
  H     -11.791758      3.504825      0.209858
  H      -9.433405      4.058218      0.220831
  H      -7.420714      5.080413      1.232344
  H      -6.648883      1.752101      7.225465
  H      -9.517858      1.140381      3.403045
  N      -3.010937      1.801381      2.683610
  H      -2.562533      0.905299      2.456029
  H      -2.327141      2.531454      2.460133
  H      -3.777810      1.918376      2.000598
90
Coordinates from ORCA-job orca E -6670.663944331076
  N      -2.109529      0.394616      5.010171
  Mo     -3.593913      1.823468      4.897002
  N      -4.581821      1.707414      6.713130
  C      -3.950665      1.765255      8.013349
  C      -2.462064      1.613833      7.743104
  N      -2.076790      2.406746      6.531540
  C      -0.724578      1.987422      6.060206
  C      -0.776919      0.549188      5.539846
  C      -2.083273      3.886801      6.811637
  C      -3.295318      4.532615      6.165083
  N      -3.441663      3.902789      4.853150
  H      -0.002096      0.414825      4.766657
  H      -0.577262     -0.190469      6.332317
  H      -0.458039      2.669328      5.241960
  H       0.020895      2.106304      6.864755
  H      -4.208308      4.356226      6.754594
  H      -3.154773      5.619128      6.070125
  H      -2.047341      4.057781      7.897594
  H      -1.172459      4.314383      6.372281
  H      -4.292357      0.962891      8.687931
  H      -4.170605      2.727707      8.507717
  H      -2.246205      0.560854      7.529865
  H      -1.848482      1.931506      8.602156
  C      -7.148610      1.206668     -0.995368
  C      -6.283700      1.025847      0.225683
  O      -5.248116      1.685281      0.366406
  C      -6.708658      0.052357      1.266601
  C      -7.964325     -0.577449      1.296325
  C      -8.305073     -1.405777      2.362604
  C      -7.383556     -1.630537      3.384024
  F      -7.753907     -2.419218      4.407730
  C      -6.105614     -1.048026      3.376046
  C      -5.002506     -1.391960      4.327597
  O      -4.898878     -2.517568      4.825448
  N      -4.062656     -0.388630      4.494562
  C      -2.783017     -0.718778      4.790170
  C      -5.812721     -0.209634      2.304368
  C      -9.062195      9.319388      0.212447
  C      -8.006102      8.257688      0.424899
  O      -8.026375      7.212549     -0.224638
  C      -6.953337      8.496713      1.454144
  C      -7.018223      9.558815      2.372650
  C      -6.049113      9.691750      3.363276
  C      -5.026895      8.749338      3.442190
  F      -4.101497      8.900850      4.415878
  C      -4.913000      7.688748      2.535888
  C      -3.881691      6.593353      2.596678
  O      -3.304710      6.235193      1.562606
  N      -3.784861      6.002131      3.835220
  C      -3.612348      4.693794      3.794668
  C      -5.880490      7.599376      1.534587
  C     -11.475823      2.496387     -0.057700
  C     -10.790223      1.840245      1.121459
  O     -11.199920      0.769976      1.568030
  C      -9.595647      2.512869      1.709091
  C      -9.005153      3.644892      1.116774
  C      -7.876968      4.223306      1.682960
  C      -7.341370      3.663982      2.841220
  F      -6.283849      4.292665      3.391910
  C      -7.886432      2.535406      3.469055
  C      -7.436541      1.953136      4.779330
  O      -8.299597      1.423717      5.500040
  N      -6.106917      2.058013      5.142968
  C      -5.861508      1.817991      6.456388
  C      -9.034801      1.992775      2.881279
  H      -8.148550      1.561724     -0.705010
  H      -6.686510      1.937732     -1.666839
  H      -7.285998      0.247869     -1.517745
  H      -8.702584     -0.394776      0.516146
  H      -9.292026     -1.863393      2.428636
  H      -2.391412     -1.739941      4.862202
  H      -4.826496      0.235855      2.264735
  H      -9.675281      9.437147      1.119470
  H      -8.604937     10.297429      0.002003
  H      -9.707689      9.022215     -0.620865
  H      -7.832513     10.282195      2.327460
  H      -6.076774     10.509520      4.083969
  H      -3.688417      4.180517      2.828153
  H      -5.807684      6.792438      0.804620
  H     -12.354134      1.905218     -0.337674
  H     -10.792323      2.561071     -0.918809
  H     -11.780819      3.525169      0.185446
  H      -9.421521      4.088700      0.212168
  H      -7.424719      5.114910      1.248001
  H      -6.657536      1.725709      7.205678
  H      -9.507349      1.138296      3.364388
  N      -3.027219      1.810334      2.674007
  H      -2.580554      0.913482      2.445772
  H      -2.344566      2.539545      2.444326
  H      -3.798742      1.925885      1.995968
90
Coordinates from ORCA-job orca E -6670.664024673456
  N      -2.095204      0.414780      4.994349
  Mo     -3.600672      1.821132      4.890519
  N      -4.586347      1.685248      6.706539
  C      -3.954993      1.736296      8.006894
  C      -2.464891      1.605650      7.733452
  N      -2.092822      2.415614      6.529368
  C      -0.734554      2.023342      6.052439
  C      -0.762926      0.589082      5.518768
  C      -2.123336      3.893005      6.823187
  C      -3.335027      4.528731      6.165552
  N      -3.463523      3.902345      4.849976
  H       0.010196      0.476414      4.740456
  H      -0.545770     -0.154304      6.303053
  H      -0.480876      2.717269      5.240266
  H       0.010076      2.147589      6.856937
  H      -4.252087      4.340307      6.745054
  H      -3.204797      5.616933      6.075952
  H      -2.106819      4.053436      7.911127
  H      -1.211347      4.337532      6.403504
  H      -4.286505      0.922786      8.673163
  H      -4.186188      2.690679      8.511739
  H      -2.236315      0.557720      7.508838
  H      -1.853930      1.922228      8.594793
  C      -7.199918      1.147716     -0.970912
  C      -6.322155      0.981465      0.242891
  O      -5.294446      1.655113      0.373332
  C      -6.723587      0.003411      1.288976
  C      -7.972403     -0.638860      1.335483
  C      -8.291540     -1.468004      2.407814
  C      -7.354944     -1.681566      3.417834
  F      -7.704306     -2.471205      4.448287
  C      -6.083265     -1.086426      3.392421
  C      -4.965482     -1.415774      4.331802
  O      -4.840546     -2.540424      4.827009
  N      -4.039564     -0.398530      4.490693
  C      -2.752323     -0.708818      4.776777
  C      -5.811934     -0.247438      2.315619
  C      -9.022826      9.410973      0.204078
  C      -7.984570      8.331951      0.417373
  O      -8.017464      7.290309     -0.237261
  C      -6.933457      8.550108      1.452817
  C      -6.987709      9.607975      2.376937
  C      -6.021703      9.721592      3.372962
  C      -5.013226      8.764460      3.451165
  F      -4.090291      8.896984      4.430054
  C      -4.909951      7.707505      2.539518
  C      -3.893028      6.598539      2.598433
  O      -3.307312      6.246657      1.566994
  N      -3.803294      6.004035      3.835773
  C      -3.629247      4.695848      3.792982
  C      -5.873868      7.637082      1.533273
  C     -11.462153      2.499681     -0.078399
  C     -10.781173      1.839124      1.100917
  O     -11.192966      0.767405      1.542235
  C      -9.587924      2.508816      1.694659
  C      -8.995566      3.643281      1.108728
  C      -7.870624      4.220745      1.682048
  C      -7.339708      3.657972      2.840843
  F      -6.286188      4.286278      3.399651
  C      -7.885301      2.525566      3.461086
  C      -7.439004      1.938144      4.770357
  O      -8.303440      1.403790      5.485602
  N      -6.110011      2.040609      5.137179
  C      -5.866337      1.790162      6.449254
  C      -9.030945      1.984300      2.866723
  H      -8.200455      1.494716     -0.673146
  H      -6.751279      1.879945     -1.650223
  H      -7.333213      0.184998     -1.487060
  H      -8.723037     -0.463836      0.565450
  H      -9.273013     -1.935155      2.487533
  H      -2.343206     -1.723399      4.844171
  H      -4.831242      0.208782      2.262656
  H      -9.641441      9.530952      1.107074
  H      -8.549710     10.383701      0.004531
  H      -9.666011      9.129153     -0.636330
  H      -7.791465     10.343022      2.331592
  H      -6.041422     10.535683      4.098068
  H      -3.698880      4.185083      2.824476
  H      -5.808966      6.833467      0.798773
  H     -12.338587      1.908908     -0.364970
  H     -10.774818      2.569199     -0.936080
  H     -11.769357      3.527010      0.168121
  H      -9.407606      4.089728      0.203475
  H      -7.417490      5.114119      1.251811
  H      -6.663182      1.686908      7.196190
  H      -9.505215      1.128016      3.344900
  N      -3.052714      1.810295      2.663961
  H      -2.602926      0.915324      2.434092
  H      -2.376256      2.542660      2.426114
  H      -3.830999      1.919440      1.992758
90
Coordinates from ORCA-job orca E -6670.664036112274
  N      -2.085788      0.428393      4.973366
  Mo     -3.608550      1.816898      4.889951
  N      -4.584438      1.664439      6.708701
  C      -3.947293      1.702956      8.006857
  C      -2.457267      1.590305      7.723763
  N      -2.100523      2.416795      6.526603
  C      -0.740044      2.046152      6.037266
  C      -0.752327      0.616636      5.489853
  C      -2.148136      3.890698      6.834623
  C      -3.360891      4.521791      6.174131
  N      -3.481100      3.900950      4.855184
  H       0.016588      0.523148      4.704969
  H      -0.520402     -0.130230      6.266253
  H      -0.500880      2.751898      5.231141
  H       0.006376      2.172931      6.839629
  H      -4.278950      4.325397      6.749625
  H      -3.238256      5.611262      6.090194
  H      -2.142874      4.040157      7.924233
  H      -1.236580      4.348349      6.428146
  H      -4.267336      0.877071      8.663445
  H      -4.185656      2.647799      8.525626
  H      -2.219139      0.547366      7.486142
  H      -1.845232      1.902944      8.585951
  C      -7.244016      1.063165     -0.964116
  C      -6.358868      0.925235      0.247958
  O      -5.322786      1.590478      0.350455
  C      -6.744724     -0.041975      1.310223
  C      -7.995104     -0.678495      1.384086
  C      -8.300094     -1.494822      2.470757
  C      -7.346811     -1.701955      3.466184
  F      -7.681560     -2.477073      4.512378
  C      -6.073390     -1.111800      3.412916
  C      -4.942328     -1.433164      4.338393
  O      -4.803578     -2.556312      4.833587
  N      -4.025039     -0.407009      4.488925
  C      -2.731829     -0.702585      4.760267
  C      -5.816942     -0.283699      2.324550
  C      -9.015336      9.444311      0.190124
  C      -7.984900      8.358347      0.405481
  O      -8.017943      7.320694     -0.255366
  C      -6.938127      8.566782      1.447758
  C      -6.990843      9.622814      2.373938
  C      -6.029400      9.728600      3.375350
  C      -5.027061      8.765236      3.455575
  F      -4.108717      8.889535      4.440097
  C      -4.925106      7.710007      2.542193
  C      -3.914000      6.596294      2.603366
  O      -3.312564      6.254355      1.577533
  N      -3.824910      6.005083      3.843062
  C      -3.643870      4.697788      3.799848
  C      -5.884794      7.646773      1.531162
  C     -11.404179      2.541758     -0.116964
  C     -10.717798      1.862858      1.048686
  O     -11.115195      0.774409      1.461929
  C      -9.547560      2.543209      1.675354
  C      -8.970380      3.702509      1.124064
  C      -7.859271      4.282859      1.720932
  C      -7.329129      3.699272      2.869991
  F      -6.285134      4.325716      3.448150
  C      -7.866005      2.547077      3.461571
  C      -7.427312      1.939172      4.764102
  O      -8.291244      1.370131      5.453090
  N      -6.102230      2.040983      5.144505
  C      -5.864683      1.766137      6.453399
  C      -8.995050      2.000611      2.841235
  H      -8.240068      1.421837     -0.666046
  H      -6.797819      1.776898     -1.664474
  H      -7.384832      0.088759     -1.455594
  H      -8.757507     -0.509214      0.624261
  H      -9.282142     -1.956401      2.572424
  H      -2.309579     -1.712126      4.822181
  H      -4.836512      0.171309      2.250260
  H      -9.638022      9.563308      1.090484
  H      -8.535999     10.415367     -0.002546
  H      -9.655536      9.170221     -0.655087
  H      -7.789797     10.362915      2.326522
  H      -6.047878     10.540980      4.102320
  H      -3.706040      4.189730      2.829964
  H      -5.821413      6.844230      0.795305
  H     -12.267503      1.942076     -0.424081
  H     -10.712615      2.644845     -0.967866
  H     -11.731996      3.556764      0.152735
  H      -9.381779      4.163644      0.225956
  H      -7.412800      5.191234      1.316108
  H      -6.663063      1.651295      7.196741
  H      -9.460431      1.125343      3.293117
  N      -3.095491      1.811137      2.654512
  H      -2.648498      0.917038      2.415761
  H      -2.424829      2.544730      2.404226
  H      -3.886183      1.919748      1.998311
90
Coordinates from ORCA-job orca E -6670.664186553914
  N      -2.069387      0.451874      4.957898
  Mo     -3.611791      1.817679      4.881131
  N      -4.590854      1.643360      6.696245
  C      -3.957774      1.672829      7.996416
  C      -2.465719      1.581454      7.715466
  N      -2.118647      2.425272      6.527867
  C      -0.751395      2.082420      6.037436
  C      -0.738324      0.659002      5.473787
  C      -2.190309      3.895390      6.850770
  C      -3.398306      4.519010      6.173970
  N      -3.496139      3.902924      4.850809
  H       0.030424      0.588820      4.686350
  H      -0.491221     -0.092501      6.240933
  H      -0.522700      2.801280      5.239910
  H      -0.008519      2.212658      6.842527
  H      -4.323111      4.312239      6.734983
  H      -3.283403      5.609774      6.096256
  H      -2.209307      4.032236      7.941755
  H      -1.276214      4.369127      6.469293
  H      -4.269882      0.835289      8.641938
  H      -4.208573      2.608372      8.526236
  H      -2.213962      0.544274      7.466807
  H      -1.859195      1.892634      8.582069
  C      -7.289971      1.027183     -0.930119
  C      -6.393818      0.898731      0.274769
  O      -5.376405      1.591625      0.380139
  C      -6.754505     -0.079703      1.335733
  C      -7.994813     -0.734551      1.420342
  C      -8.276358     -1.558652      2.507374
  C      -7.309814     -1.755307      3.491990
  F      -7.621854     -2.538879      4.539110
  C      -6.045801     -1.147320      3.426796
  C      -4.901148     -1.453204      4.340444
  O      -4.739897     -2.575385      4.831018
  N      -3.998543     -0.413285      4.482427
  C      -2.698570     -0.688891      4.746104
  C      -5.812222     -0.312271      2.338563
  C      -8.977264      9.492245      0.177639
  C      -7.957149      8.397603      0.398294
  O      -7.998472      7.358109     -0.259167
  C      -6.912003      8.598608      1.443522
  C      -6.960204      9.654785      2.369722
  C      -6.000998      9.753743      3.373991
  C      -5.005347      8.783710      3.456969
  F      -4.088656      8.901553      4.443819
  C      -4.908162      7.727824      2.543781
  C      -3.903491      6.608221      2.606854
  O      -3.303502      6.262303      1.581437
  N      -3.826604      6.011358      3.844435
  C      -3.648197      4.703492      3.797720
  C      -5.865322      7.671262      1.530020
  C     -11.415799      2.569999     -0.122915
  C     -10.726951      1.875845      1.032134
  O     -11.124654      0.782907      1.433238
  C      -9.551307      2.545123      1.660611
  C      -8.973184      3.708770      1.119481
  C      -7.863221      4.284135      1.722930
  C      -7.333861      3.690831      2.867447
  F      -6.295467      4.316301      3.456587
  C      -7.867445      2.530337      3.445114
  C      -7.427989      1.909208      4.741455
  O      -8.293756      1.343710      5.430922
  N      -6.105033      2.016908      5.127350
  C      -5.870831      1.736848      6.436029
  C      -8.996852      1.989980      2.819793
  H      -8.290377      1.365342     -0.622930
  H      -6.862485      1.753558     -1.629159
  H      -7.416651      0.053216     -1.426107
  H      -8.769165     -0.571436      0.671354
  H      -9.250666     -2.034456      2.617713
  H      -2.259474     -1.691433      4.804344
  H      -4.839067      0.156783      2.255388
  H      -9.603846      9.615938      1.074687
  H      -8.489049     10.459441     -0.011953
  H      -9.615314      9.223438     -0.670891
  H      -7.753905     10.400362      2.319902
  H      -6.015967     10.566137      4.101054
  H      -3.701630      4.199390      2.824940
  H      -5.805380      6.868653      0.793822
  H     -12.279999      1.974672     -0.435959
  H     -10.726449      2.685225     -0.974027
  H     -11.742905      3.581172      0.161750
  H      -9.384112      4.178527      0.225678
  H      -7.418342      5.197331      1.327397
  H      -6.671699      1.607234      7.174296
  H      -9.462599      1.110900      3.263705
  N      -3.116352      1.811787      2.643737
  H      -2.665096      0.919666      2.405355
  H      -2.453011      2.548911      2.384560
  H      -3.913556      1.911498      1.994462
90
Coordinates from ORCA-job orca E -6670.664256943282
  N      -2.073473      0.467402      4.946132
  Mo     -3.618582      1.830613      4.879084
  N      -4.597327      1.653923      6.693823
  C      -3.964254      1.674774      7.993950
  C      -2.471937      1.584922      7.712652
  N      -2.126604      2.433117      6.528112
  C      -0.759154      2.095709      6.034502
  C      -0.742435      0.675773      5.462562
  C      -2.198682      3.902009      6.856370
  C      -3.399884      4.531152      6.172754
  N      -3.495271      3.916227      4.848874
  H       0.026131      0.612880      4.674390
  H      -0.493138     -0.079279      6.225445
  H      -0.533763      2.819985      5.240884
  H      -0.015969      2.223452      6.839718
  H      -4.328611      4.330132      6.729481
  H      -3.278727      5.621380      6.095676
  H      -2.226195      4.034133      7.947683
  H      -1.280802      4.375489      6.484092
  H      -4.276953      0.833459      8.634166
  H      -4.214377      2.607381      8.529222
  H      -2.218925      0.548706      7.460932
  H      -1.865665      1.893969      8.580207
  C      -7.316536      0.942972     -0.948944
  C      -6.421021      0.844021      0.259187
  O      -5.424640      1.566451      0.366305
  C      -6.772861     -0.120887      1.335463
  C      -8.007689     -0.784584      1.429878
  C      -8.280170     -1.598154      2.526733
  C      -7.310779     -1.774535      3.512178
  F      -7.613786     -2.550915      4.567448
  C      -6.052201     -1.156615      3.438450
  C      -4.902973     -1.447437      4.351540
  O      -4.732306     -2.566419      4.846211
  N      -4.003168     -0.403301      4.483167
  C      -2.702177     -0.675073      4.739448
  C      -5.826686     -0.333425      2.339391
  C      -8.970261      9.545457      0.232897
  C      -7.956603      8.443057      0.444318
  O      -8.015953      7.400933     -0.207510
  C      -6.897399      8.638304      1.476448
  C      -6.926450      9.696951      2.400486
  C      -5.954530      9.790882      3.392907
  C      -4.965229      8.813612      3.466388
  F      -4.035456      8.927456      4.441347
  C      -4.886896      7.754784      2.554602
  C      -3.888866      6.628501      2.608584
  O      -3.309293      6.271393      1.575287
  N      -3.811268      6.027362      3.844253
  C      -3.640358      4.717998      3.796253
  C      -5.856720      7.703235      1.552660
  C     -11.398614      2.528978     -0.151775
  C     -10.714053      1.848276      1.013678
  O     -11.102802      0.752235      1.415258
  C      -9.539405      2.523883      1.636970
  C      -8.959183      3.680480      1.083257
  C      -7.854651      4.265966      1.686807
  C      -7.331040      3.688774      2.842211
  F      -6.299896      4.325760      3.431473
  C      -7.863471      2.532996      3.429545
  C      -7.430089      1.926515      4.734868
  O      -8.297134      1.360239      5.422102
  N      -6.108118      2.032645      5.123072
  C      -5.876822      1.751043      6.432064
  C      -8.988905      1.983258      2.805035
  H      -8.323765      1.265383     -0.647306
  H      -6.901197      1.670092     -1.654518
  H      -7.424340     -0.038291     -1.434603
  H      -8.785597     -0.635604      0.681491
  H      -9.249786     -2.081817      2.643336
  H      -2.260313     -1.676439      4.797953
  H      -4.856403      0.138991      2.246744
  H      -9.583468      9.678367      1.137835
  H      -8.476277     10.507595      0.032777
  H      -9.622117      9.278870     -0.605788
  H      -7.714871     10.448610      2.358593
  H      -5.954347     10.604958      4.118269
  H      -3.692886      4.215486      2.822814
  H      -5.812068      6.898247      0.818112
  H     -12.257059      1.925984     -0.465993
  H     -10.704068      2.641817     -0.998934
  H     -11.733590      3.540305      0.122823
  H      -9.365844      4.137817      0.181120
  H      -7.409158      5.175374      1.283433
  H      -6.679389      1.618851      7.168069
  H      -9.455181      1.108783      3.257191
  N      -3.146726      1.821865      2.638357
  H      -2.700371      0.928293      2.396299
  H      -2.484906      2.556942      2.369811
  H      -3.952066      1.922221      1.999330
90
Coordinates from ORCA-job orca E -6670.664398044374
  N      -2.060373      0.485564      4.928007
  Mo     -3.619271      1.833516      4.874228
  N      -4.598071      1.639750      6.686241
  C      -3.966870      1.649197      7.987272
  C      -2.473298      1.574122      7.706529
  N      -2.135481      2.435857      6.530061
  C      -0.764440      2.117671      6.032653
  C      -0.731610      0.703963      5.446411
  C      -2.221476      3.901182      6.871487
  C      -3.418830      4.529421      6.180320
  N      -3.501728      3.920846      4.852832
  H       0.037593      0.658425      4.657720
  H      -0.474404     -0.055423      6.202219
  H      -0.547866      2.852848      5.246663
  H      -0.023139      2.245673      6.839549
  H      -4.351579      4.323780      6.728788
  H      -3.300593      5.620416      6.109303
  H      -2.263027      4.022298      7.963557
  H      -1.302349      4.384019      6.514862
  H      -4.273867      0.797708      8.616661
  H      -4.224655      2.573464      8.533116
  H      -2.210413      0.542372      7.446282
  H      -1.870792      1.880855      8.577591
  C      -7.361054      0.871242     -0.940486
  C      -6.462643      0.802589      0.267746
  O      -5.472815      1.535724      0.360333
  C      -6.794369     -0.157222      1.355227
  C      -8.024868     -0.825444      1.471393
  C      -8.277566     -1.633774      2.577027
  C      -7.292664     -1.800644      3.548549
  F      -7.576329     -2.572504      4.612588
  C      -6.038007     -1.177629      3.452792
  C      -4.874274     -1.457767      4.350667
  O      -4.690345     -2.573509      4.848028
  N      -3.983910     -0.404374      4.474565
  C      -2.678984     -0.662869      4.722301
  C      -5.832242     -0.359578      2.346180
  C      -8.950922      9.560986      0.216491
  C      -7.938342      8.458419      0.431901
  O      -7.990731      7.419278     -0.225165
  C      -6.887141      8.650714      1.472941
  C      -6.923850      9.706165      2.400253
  C      -5.959096      9.797694      3.399945
  C      -4.969364      8.821103      3.476987
  F      -4.046617      8.932769      4.458901
  C      -4.883583      7.765298      2.562370
  C      -3.884654      6.640060      2.619483
  O      -3.297283      6.287326      1.589033
  N      -3.813853      6.036112      3.854409
  C      -3.639395      4.727222      3.802715
  C      -5.846252      7.716251      1.553370
  C     -11.385889      2.577290     -0.165154
  C     -10.688601      1.872667      0.978238
  O     -11.066637      0.763837      1.354556
  C      -9.520868      2.545284      1.617349
  C      -8.950100      3.718191      1.088545
  C      -7.852547      4.301190      1.706972
  C      -7.326526      3.705445      2.851918
  F      -6.303302      4.340292      3.457066
  C      -7.849888      2.533431      3.414649
  C      -7.417713      1.906476      4.710549
  O      -8.286326      1.332719      5.389776
  N      -6.100559      2.022053      5.111132
  C      -5.876826      1.730359      6.419691
  C      -8.968111      1.985844      2.775479
  H      -8.370847      1.187575     -0.641437
  H      -6.955278      1.591618     -1.658459
  H      -7.459419     -0.118762     -1.409916
  H      -8.815199     -0.683106      0.734762
  H      -9.243270     -2.120954      2.710567
  H      -2.226595     -1.659780      4.777068
  H      -4.865341      0.115826      2.235519
  H      -9.570873      9.690215      1.117371
  H      -8.456055     10.524163      0.023639
  H      -9.596365      9.297333     -0.628043
  H      -7.712550     10.457353      2.355606
  H      -5.964652     10.609124      4.128230
  H      -3.681999      4.229455      2.826357
  H      -5.795867      6.913712      0.816498
  H     -12.239886      1.974090     -0.490915
  H     -10.696699      2.719111     -1.012267
  H     -11.729337      3.577681      0.137539
  H      -9.359408      4.189929      0.195097
  H      -7.413238      5.222564      1.324345
  H      -6.683004      1.584501      7.148986
  H      -9.427502      1.098114      3.208416
  N      -3.172371      1.830692      2.629524
  H      -2.724733      0.939537      2.380983
  H      -2.517766      2.569129      2.352744
  H      -3.987004      1.927726      2.001995
90
Coordinates from ORCA-job orca E -6670.664514293519
  N      -2.053139      0.499198      4.905325
  Mo     -3.625664      1.832345      4.869507
  N      -4.597200      1.625192      6.682642
  C      -3.962948      1.621958      7.981930
  C      -2.469401      1.559740      7.695831
  N      -2.143262      2.434449      6.525939
  C      -0.770833      2.134689      6.019771
  C      -0.724955      0.726823      5.421326
  C      -2.241207      3.896501      6.880484
  C      -3.435781      4.524540      6.184189
  N      -3.509138      3.921251      4.854056
  H       0.042340      0.696749      4.630053
  H      -0.458041     -0.035934      6.170278
  H      -0.566115      2.879200      5.239414
  H      -0.027896      2.263797      6.824980
  H      -4.371464      4.315410      6.726590
  H      -3.319606      5.616079      6.118136
  H      -2.294402      4.006671      7.973093
  H      -1.321337      4.387688      6.537610
  H      -4.263211      0.760872      8.601373
  H      -4.224604      2.538282      8.539122
  H      -2.198623      0.532234      7.426507
  H      -1.866908      1.863815      8.567901
  C      -7.398859      0.832880     -0.909983
  C      -6.501507      0.784587      0.300371
  O      -5.521871      1.531229      0.390697
  C      -6.813457     -0.183085      1.386930
  C      -8.038315     -0.859440      1.514071
  C      -8.274890     -1.670237      2.621790
  C      -7.278509     -1.833770      3.581996
  F      -7.547151     -2.607255      4.648929
  C      -6.028605     -1.203194      3.473734
  C      -4.854982     -1.472212      4.361166
  O      -4.655143     -2.585908      4.857076
  N      -3.973092     -0.410410      4.472409
  C      -2.663186     -0.655236      4.706885
  C      -5.839477     -0.380922      2.367234
  C      -8.949519      9.543599      0.201202
  C      -7.930828      8.447088      0.418722
  O      -7.973587      7.408981     -0.240567
  C      -6.885940      8.643649      1.465480
  C      -6.932652      9.697731      2.393847
  C      -5.973355      9.792789      3.398531
  C      -4.979491      8.820680      3.479551
  F      -4.062662      8.935627      4.466672
  C      -4.883970      7.766280      2.564252
  C      -3.881509      6.644507      2.625948
  O      -3.286495      6.295285      1.598667
  N      -3.815951      6.039943      3.860697
  C      -3.639443      4.731539      3.805932
  C      -5.840893      7.714306      1.549975
  C     -11.343226      2.633027     -0.194963
  C     -10.635388      1.906522      0.927935
  O     -11.001345      0.784542      1.276891
  C      -9.484643      2.582107      1.593749
  C      -8.926998      3.775184      1.096817
  C      -7.844400      4.360090      1.739025
  C      -7.320423      3.746878      2.875667
  F      -6.312855      4.383827      3.504738
  C      -7.832071      2.555564      3.407969
  C      -7.405785      1.907998      4.695539
  O      -8.276150      1.317254      5.358029
  N      -6.092233      2.022398      5.107983
  C      -5.875492      1.713146      6.414652
  C      -8.935484      2.005752      2.745217
  H      -8.414170      1.134318     -0.614030
  H      -7.003542      1.556407     -1.630631
  H      -7.481183     -0.160711     -1.374715
  H      -8.838528     -0.718545      0.787996
  H      -9.236850     -2.161867      2.765496
  H      -2.200512     -1.647657      4.758511
  H      -4.877528      0.103872      2.248206
  H      -9.573344      9.667704      1.100143
  H      -8.459961     10.510124      0.011502
  H      -9.590326      9.277360     -0.646018
  H      -7.724863     10.445017      2.346467
  H      -5.986467     10.603067      4.127988
  H      -3.674594      4.237853      2.826985
  H      -5.782961      6.913046      0.812249
  H     -12.188240      2.026666     -0.537854
  H     -10.655960      2.808369     -1.037271
  H     -11.701112      3.619470      0.135496
  H      -9.334703      4.259885      0.209670
  H      -7.413604      5.295571      1.382086
  H      -6.684262      1.556518      7.138499
  H      -9.385715      1.101939      3.153806
  N      -3.221448      1.826917      2.618367
  H      -2.773612      0.937804      2.362848
  H      -2.577718      2.568446      2.325000
  H      -4.050410      1.916644      2.009563
90
Coordinates from ORCA-job orca E -6670.664623627747
  N      -2.041328      0.515365      4.888591
  Mo     -3.625941      1.834807      4.861014
  N      -4.598716      1.614431      6.671379
  C      -3.966699      1.603320      7.971493
  C      -2.472082      1.552926      7.687247
  N      -2.151592      2.438048      6.523854
  C      -0.775963      2.154492      6.016548
  C      -0.716032      0.751353      5.408662
  C      -2.262012      3.897220      6.888319
  C      -3.453828      4.522947      6.184851
  N      -3.514201      3.924874      4.851890
  H       0.053210      0.733805      4.618880
  H      -0.443730     -0.013941      6.153078
  H      -0.578297      2.906105      5.241137
  H      -0.034615      2.285424      6.822943
  H      -4.392739      4.307697      6.719306
  H      -3.341775      5.615236      6.124157
  H      -2.326925      3.998620      7.981071
  H      -1.341727      4.396430      6.558462
  H      -4.262977      0.735061      8.582749
  H      -4.234584      2.513550      8.535711
  H      -2.193027      0.529168      7.411972
  H      -1.873273      1.855711      8.562327
  C      -7.450191      0.742499     -0.900143
  C      -6.538495      0.715955      0.300027
  O      -5.561312      1.468065      0.368172
  C      -6.834025     -0.235930      1.405018
  C      -8.058143     -0.907190      1.562557
  C      -8.277097     -1.701812      2.685695
  C      -7.264394     -1.855014      3.630435
  F      -7.516370     -2.613171      4.712466
  C      -6.015782     -1.227713      3.492661
  C      -4.828045     -1.483936      4.364735
  O      -4.616763     -2.591611      4.869312
  N      -3.955674     -0.412873      4.464320
  C      -2.642346     -0.644488      4.692909
  C      -5.844255     -0.421381      2.371732
  C      -8.952892      9.551772      0.215559
  C      -7.931127      8.457305      0.429046
  O      -7.971399      7.421202     -0.233535
  C      -6.885760      8.653791      1.475328
  C      -6.934490      9.705126      2.406732
  C      -5.975454      9.798959      3.411759
  C      -4.980017      8.828254      3.490256
  F      -4.064088      8.941491      4.478409
  C      -4.882279      7.776808      2.571781
  C      -3.879772      6.654985      2.632080
  O      -3.279537      6.311475      1.605789
  N      -3.817484      6.046976      3.865147
  C      -3.637445      4.739100      3.806281
  C      -5.838715      7.726382      1.556934
  C     -11.304226      2.688113     -0.234891
  C     -10.602223      1.947926      0.882609
  O     -10.962785      0.817035      1.208167
  C      -9.458152      2.617213      1.565693
  C      -8.901980      3.819678      1.089814
  C      -7.827429      4.400126      1.748996
  C      -7.309284      3.772838      2.880574
  F      -6.310203      4.405523      3.527248
  C      -7.818506      2.571300      3.391306
  C      -7.398764      1.909191      4.673453
  O      -8.271736      1.308884      5.323840
  N      -6.087238      2.019662      5.093808
  C      -5.876378      1.698324      6.399213
  C      -8.914748      2.026282      2.712595
  H      -8.463339      1.044171     -0.597266
  H      -7.066284      1.456449     -1.636360
  H      -7.534088     -0.258536     -1.348308
  H      -8.871005     -0.773755      0.849278
  H      -9.237318     -2.189488      2.852884
  H      -2.170182     -1.632506      4.744471
  H      -4.883825      0.059712      2.229370
  H      -9.575725      9.672479      1.115635
  H      -8.465863     10.519876      0.027327
  H      -9.594192      9.285890     -0.631398
  H      -7.728285     10.450882      2.361693
  H      -5.990215     10.606893      4.143788
  H      -3.663600      4.249816      2.824713
  H      -5.779638      6.926980      0.817037
  H     -12.143442      2.083138     -0.594076
  H     -10.610726      2.879495     -1.068544
  H     -11.669350      3.667688      0.107755
  H      -9.304927      4.314850      0.206330
  H      -7.397813      5.342662      1.409693
  H      -6.687999      1.532503      7.117636
  H      -9.364282      1.115087      3.105276
  N      -3.242347      1.831426      2.607878
  H      -2.791267      0.945193      2.348033
  H      -2.606564      2.576809      2.307171
  H      -4.078715      1.915600      2.008321
90
Coordinates from ORCA-job orca E -6670.664728782550
  N      -2.039445      0.527692      4.874212
  Mo     -3.629715      1.842393      4.854302
  N      -4.602923      1.618359      6.663893
  C      -3.972240      1.602963      7.964310
  C      -2.477024      1.555409      7.681529
  N      -2.157973      2.443206      6.520125
  C      -0.781474      2.165445      6.012034
  C      -0.716269      0.764732      5.399971
  C      -2.270429      3.901565      6.888461
  C      -3.458043      4.529432      6.180142
  N      -3.513422      3.932764      4.846502
  H       0.056276      0.751440      4.613297
  H      -0.444997     -0.002359      6.142932
  H      -0.586825      2.919565      5.238171
  H      -0.040218      2.296880      6.818422
  H      -4.399556      4.315630      6.710644
  H      -3.343564      5.621575      6.121007
  H      -2.341197      3.999440      7.981102
  H      -1.348317      4.401362      6.564709
  H      -4.268616      0.732140      8.571774
  H      -4.241284      2.511447      8.530882
  H      -2.194847      0.532573      7.405866
  H      -1.879971      1.858619      8.557688
  C      -7.467203      0.655506     -0.906296
  C      -6.563847      0.665581      0.300234
  O      -5.599418      1.434487      0.362157
  C      -6.850298     -0.273635      1.418368
  C      -8.071124     -0.947565      1.589915
  C      -8.279266     -1.732557      2.721920
  C      -7.259986     -1.873873      3.661471
  F      -7.501869     -2.625660      4.750445
  C      -6.014763     -1.243291      3.510290
  C      -4.820315     -1.486247      4.376911
  O      -4.599635     -2.588886      4.888393
  N      -3.952476     -0.410036      4.462334
  C      -2.638496     -0.634647      4.685756
  C      -5.854035     -0.446240      2.380873
  C      -8.961071      9.574698      0.255553
  C      -7.938023      8.479481      0.458830
  O      -7.985256      7.443676     -0.203781
  C      -6.883390      8.674396      1.496009
  C      -6.924008      9.724503      2.429163
  C      -5.957376      9.815781      3.427013
  C      -4.962699      8.843707      3.497271
  F      -4.039824      8.954587      4.479045
  C      -4.872784      7.793288      2.576671
  C      -3.872809      6.668586      2.630339
  O      -3.281574      6.322178      1.599736
  N      -3.810567      6.056568      3.861399
  C      -3.631846      4.748226      3.800964
  C      -5.836462      7.745888      1.568499
  C     -11.276323      2.707103     -0.268281
  C     -10.581025      1.962419      0.850291
  O     -10.942480      0.829281      1.167837
  C      -9.439487      2.627604      1.540948
  C      -8.880164      3.831424      1.071919
  C      -7.811624      4.411044      1.741421
  C      -7.301211      3.780729      2.874721
  F      -6.308833      4.412882      3.532292
  C      -7.810877      2.575827      3.376147
  C      -7.397641      1.911516      4.658743
  O      -8.273407      1.311283      5.305372
  N      -6.087547      2.021242      5.083382
  C      -5.880279      1.698456      6.389147
  C      -8.902457      2.032253      2.688675
  H      -8.489272      0.938318     -0.615987
  H      -7.093102      1.366397     -1.650479
  H      -7.526521     -0.353898     -1.339453
  H      -8.889323     -0.823324      0.880944
  H      -9.235841     -2.224007      2.899105
  H      -2.163000     -1.621005      4.740386
  H      -4.895841      0.035807      2.227347
  H      -9.573622      9.698095      1.162254
  H      -8.474641     10.541747      0.060264
  H      -9.612055      9.308411     -0.583863
  H      -7.717404     10.471097      2.391348
  H      -5.965631     10.622639      4.160357
  H      -3.653183      4.261113      2.818299
  H      -5.783956      6.947079      0.827368
  H     -12.114585      2.104579     -0.633729
  H     -10.578186      2.900314     -1.097541
  H     -11.641498      3.685993      0.076204
  H      -9.277048      4.328615      0.186910
  H      -7.380501      5.355482      1.409315
  H      -6.693634      1.526750      7.104194
  H      -9.354293      1.120125      3.076450
  N      -3.273184      1.834158      2.599184
  H      -2.818593      0.950936      2.335427
  H      -2.647387      2.583573      2.287972
  H      -4.118695      1.910251      2.011520
90
Coordinates from ORCA-job orca E -6670.664826818023
  N      -2.035203      0.540524      4.857843
  Mo     -3.634736      1.845217      4.846870
  N      -4.604568      1.611001      6.657084
  C      -3.972413      1.589725      7.956653
  C      -2.477364      1.550886      7.671571
  N      -2.165248      2.446637      6.514322
  C      -0.787720      2.181098      6.002897
  C      -0.713216      0.783641      5.384411
  C      -2.286307      3.902710      6.889967
  C      -3.472663      4.529014      6.177660
  N      -3.520643      3.936051      4.841985
  H       0.059586      0.778654      4.597878
  H      -0.436785      0.014827      6.123651
  H      -0.600094      2.939565      5.231510
  H      -0.045522      2.314757      6.808032
  H      -4.415720      4.310236      6.703332
  H      -3.361292      5.621649      6.122444
  H      -2.364198      3.994062      7.982639
  H      -1.364299      4.408321      6.575077
  H      -4.264667      0.713978      8.558990
  H      -4.244431      2.493771      8.528886
  H      -2.190345      0.530993      7.390037
  H      -1.880448      1.852492      8.548390
  C      -7.498518      0.600190     -0.890425
  C      -6.601269      0.637305      0.319964
  O      -5.658105      1.431947      0.384879
  C      -6.870242     -0.304010      1.440722
  C      -8.082222     -0.991776      1.620594
  C      -8.273515     -1.777932      2.754738
  C      -7.246433     -1.907139      3.687612
  F      -7.472110     -2.662363      4.777837
  C      -6.009029     -1.264029      3.527201
  C      -4.805605     -1.494670      4.385123
  O      -4.571122     -2.594276      4.896903
  N      -3.944932     -0.411742      4.458318
  C      -2.628374     -0.625917      4.675533
  C      -5.865358     -0.465650      2.396170
  C      -8.944103      9.613693      0.257648
  C      -7.926275      8.513421      0.460122
  O      -7.975391      7.480663     -0.207147
  C      -6.873351      8.700451      1.500310
  C      -6.912440      9.746889      2.437741
  C      -5.947822      9.830528      3.438172
  C      -4.956831      8.854587      3.506954
  F      -4.035657      8.958096      4.491140
  C      -4.868708      7.807467      2.582485
  C      -3.872485      6.679158      2.633576
  O      -3.281304      6.334311      1.602408
  N      -3.814636      6.062606      3.862341
  C      -3.636011      4.754301      3.798563
  C      -5.829986      7.767816      1.571747
  C     -11.246215      2.714231     -0.297673
  C     -10.554111      1.966648      0.820913
  O     -10.912659      0.830192      1.130347
  C      -9.421923      2.634217      1.524298
  C      -8.870220      3.847601      1.070797
  C      -7.812768      4.431158      1.754425
  C      -7.305115      3.794838      2.885605
  F      -6.326295      4.431599      3.559158
  C      -7.806049      2.579280      3.370202
  C      -7.395925      1.907802      4.649730
  O      -8.271163      1.298579      5.288307
  N      -6.087552      2.019064      5.078613
  C      -5.882022      1.688005      6.382581
  C      -8.887771      2.032659      2.670033
  H      -8.531100      0.849321     -0.606848
  H      -7.142760      1.321779     -1.633299
  H      -7.523797     -0.411010     -1.322940
  H      -8.906643     -0.876438      0.917235
  H      -9.222684     -2.281194      2.938801
  H      -2.145927     -1.608952      4.730823
  H      -4.913361      0.026114      2.235049
  H      -9.558738      9.737392      1.162849
  H      -8.452714     10.579064      0.066407
  H      -9.593759      9.352543     -0.584410
  H      -7.702866     10.496635      2.400529
  H      -5.954793     10.634695      4.174497
  H      -3.653491      4.270446      2.814116
  H      -5.778042      6.972389      0.826975
  H     -12.079536      2.110066     -0.671539
  H     -10.543662      2.915035     -1.121376
  H     -11.617735      3.689579      0.050068
  H      -9.264794      4.349480      0.187469
  H      -7.389309      5.383593      1.435440
  H      -6.695734      1.507742      7.095132
  H      -9.334325      1.113330      3.046625
  N      -3.300953      1.832855      2.590202
  H      -2.844181      0.951638      2.323556
  H      -2.682833      2.584918      2.270223
  H      -4.153195      1.902455      2.011596
90
Coordinates from ORCA-job orca E -6670.664936051869
  N      -2.031152      0.550525      4.840678
  Mo     -3.640997      1.845539      4.837699
  N      -4.605664      1.602195      6.649895
  C      -3.970998      1.578697      7.948249
  C      -2.476482      1.548209      7.659850
  N      -2.171589      2.449739      6.504918
  C      -0.793463      2.194663      5.990523
  C      -0.710587      0.799082      5.369003
  C      -2.300547      3.904130      6.885114
  C      -3.488157      4.526486      6.171143
  N      -3.530152      3.936337      4.833813
  H       0.063497      0.799259      4.583676
  H      -0.430576      0.029766      6.106390
  H      -0.612441      2.954933      5.219257
  H      -0.049727      2.332428      6.793528
  H      -4.431094      4.300284      6.693755
  H      -3.382333      5.619774      6.119284
  H      -2.381704      3.991532      7.977848
  H      -1.379974      4.415358      6.574881
  H      -4.258579      0.699680      8.548040
  H      -4.245846      2.479818      8.523823
  H      -2.185149      0.530820      7.373865
  H      -1.878930      1.849542      8.536328
  C      -7.513171      0.541700     -0.875855
  C      -6.628436      0.607198      0.342459
  O      -5.701115      1.420135      0.409611
  C      -6.885547     -0.333824      1.466209
  C      -8.091429     -1.030271      1.655207
  C      -8.268894     -1.815268      2.792427
  C      -7.234173     -1.937035      3.718052
  F      -7.447454     -2.692233      4.810958
  C      -6.002343     -1.286514      3.547805
  C      -4.790957     -1.506213      4.397573
  O      -4.545168     -2.601403      4.913312
  N      -3.936972     -0.417264      4.455529
  C      -2.618786     -0.620110      4.668048
  C      -5.873498     -0.487443      2.415117
  C      -8.933876      9.657883      0.262597
  C      -7.921752      8.551538      0.461037
  O      -7.977077      7.521159     -0.209476
  C      -6.869681      8.727755      1.503714
  C      -6.904860      9.769804      2.446301
  C      -5.941515      9.843362      3.448707
  C      -4.955945      8.861773      3.514653
  F      -4.035687      8.955705      4.500630
  C      -4.872001      7.818538      2.585439
  C      -3.881424      6.684933      2.632213
  O      -3.291716      6.341243      1.599752
  N      -3.825686      6.064592      3.858844
  C      -3.645814      4.756655      3.792196
  C      -5.831522      7.789077      1.572734
  C     -11.208386      2.731753     -0.331650
  C     -10.529152      1.981666      0.793061
  O     -10.889137      0.842924      1.093022
  C      -9.403663      2.646192      1.509559
  C      -8.856595      3.868331      1.074255
  C      -7.810148      4.452574      1.774224
  C      -7.308181      3.807520      2.902899
  F      -6.344086      4.446352      3.595691
  C      -7.802505      2.581005      3.367045
  C      -7.396342      1.900241      4.642530
  O      -8.270571      1.279913      5.271316
  N      -6.089332      2.012269      5.075053
  C      -5.883698      1.673185      6.376890
  C      -8.874371      2.034813      2.652242
  H      -8.558464      0.749071     -0.605775
  H      -7.175615      1.275587     -1.615125
  H      -7.495773     -0.469800     -1.308694
  H      -8.920699     -0.921596      0.956554
  H      -9.212610     -2.325672      2.984608
  H      -2.129807     -1.599854      4.726795
  H      -4.926152      0.011674      2.247354
  H      -9.547255      9.783604      1.168312
  H      -8.436791     10.620654      0.072788
  H      -9.585403      9.402060     -0.579650
  H      -7.691025     10.524059      2.410571
  H      -5.945320     10.644428      4.188443
  H      -3.660519      4.275796      2.806201
  H      -5.781688      6.997782      0.823463
  H     -12.038065      2.129168     -0.715918
  H     -10.496074      2.933240     -1.146813
  H     -11.582747      3.706793      0.013885
  H      -9.247161      4.377547      0.193408
  H      -7.392931      5.412609      1.470430
  H      -6.696634      1.483686      7.087949
  H      -9.317862      1.108869      3.015884
  N      -3.333064      1.825420      2.579496
  H      -2.873179      0.946782      2.309761
  H      -2.724279      2.580926      2.249834
  H      -4.192412      1.887241      2.010617
90
Coordinates from ORCA-job orca E -6670.665051112877
  N      -2.025165      0.560045      4.823812
  Mo     -3.647571      1.842767      4.828040
  N      -4.606306      1.590118      6.642383
  C      -3.968942      1.565554      7.939509
  C      -2.474952      1.545730      7.647566
  N      -2.178984      2.452961      6.494624
  C      -0.799933      2.210418      5.977119
  C      -0.706148      0.817014      5.352396
  C      -2.318308      3.905391      6.878630
  C      -3.507856      4.521740      6.162600
  N      -3.543421      3.933442      4.824014
  H       0.068167      0.824410      4.567325
  H      -0.420185      0.047889      6.087698
  H      -0.626649      2.972990      5.206291
  H      -0.055389      2.353532      6.778411
  H      -4.450429      4.287337      6.682235
  H      -3.409231      5.615760      6.113238
  H      -2.403369      3.989370      7.971319
  H      -1.399880      4.423570      6.573351
  H      -4.250155      0.682932      8.537006
  H      -4.248312      2.463232      8.518351
  H      -2.177787      0.531294      7.357178
  H      -1.877079      1.847879      8.523549
  C      -7.540170      0.475489     -0.852763
  C      -6.657250      0.562031      0.365416
  O      -5.738945      1.385593      0.426588
  C      -6.900737     -0.375636      1.495053
  C      -8.101585     -1.076910      1.699586
  C      -8.263526     -1.856396      2.842897
  C      -7.218607     -1.969965      3.758209
  F      -7.418034     -2.719958      4.857429
  C      -5.991660     -1.315130      3.572211
  C      -4.771103     -1.522220      4.412023
  O      -4.513136     -2.611959      4.933195
  N      -3.925301     -0.426399      4.454167
  C      -2.604799     -0.615762      4.661163
  C      -5.879034     -0.520195      2.434656
  C      -8.927985      9.710603      0.268159
  C      -7.927285      8.593371      0.463928
  O      -7.991978      7.566206     -0.210654
  C      -6.873710      8.755707      1.507205
  C      -6.899592      9.794464      2.453763
  C      -5.935506      9.855815      3.456250
  C      -4.958413      8.865571      3.518131
  F      -4.037059      8.948093      4.504058
  C      -4.883701      7.825133      2.585008
  C      -3.901532      6.684001      2.626308
  O      -3.316751      6.338728      1.591506
  N      -3.844422      6.062196      3.851930
  C      -3.662110      4.754867      3.783595
  C      -5.843781      7.807618      1.572458
  C     -11.154258      2.766326     -0.376475
  C     -10.485615      2.006398      0.747896
  O     -10.844414      0.862478      1.029826
  C      -9.374100      2.667964      1.488171
  C      -8.834243      3.902967      1.081550
  C      -7.804670      4.486818      1.806632
  C      -7.311278      3.827621      2.930818
  F      -6.367941      4.467095      3.651037
  C      -7.795921      2.585562      3.363797
  C      -7.393986      1.886766      4.630713
  O      -8.267335      1.251971      5.245869
  N      -6.089825      2.001546      5.070616
  C      -5.884842      1.653464      6.370176
  C      -8.852763      2.041354      2.626282
  H      -8.593082      0.645163     -0.586201
  H      -7.224113      1.220619     -1.590262
  H      -7.488741     -0.534182     -1.287906
  H      -8.937638     -0.974734      1.008206
  H      -9.202786     -2.369737      3.048422
  H      -2.108039     -1.591544      4.722645
  H      -4.936023     -0.015940      2.256323
  H      -9.539827      9.841614      1.174118
  H      -8.420539     10.668241      0.079600
  H      -9.582250      9.463034     -0.574422
  H      -7.679135     10.555643      2.420612
  H      -5.932212     10.654261      4.198811
  H      -3.675274      4.275972      2.796383
  H      -5.800599      7.019065      0.819787
  H     -11.976157      2.164479     -0.778148
  H     -10.432146      2.980246     -1.179778
  H     -11.537632      3.735597     -0.024646
  H      -9.218274      4.423561      0.204513
  H      -7.395157      5.456849      1.525524
  H      -6.697150      1.453531      7.079078
  H      -9.291006      1.104784      2.968237
  N      -3.364768      1.814989      2.568215
  H      -2.900839      0.939451      2.295404
  H      -2.765910      2.574628      2.229826
  H      -4.230757      1.868827      2.008503
90
Coordinates from ORCA-job orca E -6670.665186505412
  N      -2.013852      0.570312      4.809062
  Mo     -3.652365      1.837305      4.817754
  N      -4.606968      1.571675      6.632710
  C      -3.968087      1.547597      7.929396
  C      -2.474260      1.542268      7.636026
  N      -2.187511      2.456171      6.486347
  C      -0.806350      2.229203      5.967696
  C      -0.697395      0.839065      5.338287
  C      -2.341390      3.905612      6.873777
  C      -3.533815      4.513039      6.155247
  N      -3.560810      3.927607      4.814615
  H       0.076793      0.857357      4.553334
  H      -0.403555      0.070345      6.070903
  H      -0.641012      2.995619      5.198890
  H      -0.063464      2.378572      6.769378
  H      -4.475821      4.267074      6.670594
  H      -3.446212      5.608084      6.109107
  H      -2.431277      3.986634      7.966339
  H      -1.426444      4.433370      6.574180
  H      -4.240663      0.660539      8.524347
  H      -4.255961      2.440464      8.511490
  H      -2.168842      0.531761      7.340407
  H      -1.877911      1.845550      8.512650
  C      -7.568283      0.402973     -0.830850
  C      -6.673964      0.501163      0.377378
  O      -5.749092      1.318504      0.418594
  C      -6.906477     -0.425670      1.518631
  C      -8.106831     -1.120768      1.747803
  C      -8.254598     -1.887893      2.901278
  C      -7.197047     -1.995385      3.802819
  F      -7.383669     -2.731803      4.913441
  C      -5.971533     -1.345314      3.593296
  C      -4.741587     -1.541174      4.421928
  O      -4.475099     -2.623848      4.953288
  N      -3.904714     -0.438388      4.450476
  C      -2.582026     -0.611753      4.654675
  C      -5.872834     -0.563072      2.445721
  C      -8.913336      9.775201      0.261559
  C      -7.928488      8.643900      0.457510
  O      -8.001702      7.621668     -0.223443
  C      -6.877694      8.787578      1.506456
  C      -6.894673      9.822358      2.457469
  C      -5.933267      9.868417      3.463422
  C      -4.967297      8.867217      3.523221
  F      -4.048030      8.935950      4.512128
  C      -4.901192      7.830239      2.585497
  C      -3.928863      6.680895      2.622171
  O      -3.350040      6.332956      1.584496
  N      -3.870019      6.057678      3.847323
  C      -3.684308      4.751040      3.776539
  C      -5.858877      7.827397      1.570281
  C     -11.113537      2.814536     -0.411455
  C     -10.453365      2.039725      0.707606
  O     -10.819244      0.894356      0.975309
  C      -9.351579      2.692186      1.469616
  C      -8.814846      3.937383      1.092542
  C      -7.800819      4.516341      1.843466
  C      -7.317688      3.840059      2.961885
  F      -6.396008      4.476483      3.711224
  C      -7.794094      2.583291      3.360731
  C      -7.392893      1.861965      4.615485
  O      -8.263152      1.209554      5.216305
  N      -6.091854      1.982128      5.062974
  C      -5.886095      1.624945      6.360021
  C      -8.838661      2.046779      2.601404
  H      -8.624374      0.531975     -0.555266
  H      -7.280994      1.162299     -1.565672
  H      -7.486268     -0.601075     -1.275585
  H      -8.951093     -1.021052      1.066223
  H      -9.192751     -2.394688      3.127055
  H      -2.075603     -1.582503      4.719224
  H      -4.931334     -0.061822      2.251027
  H      -9.527359      9.911249      1.165287
  H      -8.392072     10.726522      0.078638
  H      -9.567027      9.539689     -0.584888
  H      -7.665656     10.592209      2.425217
  H      -5.923603     10.663333      4.209665
  H      -3.696559      4.274613      2.787695
  H      -5.823094      7.041009      0.814761
  H     -11.932787      2.218094     -0.826362
  H     -10.384917      3.037430     -1.206424
  H     -11.499371      3.779718     -0.051242
  H      -9.191786      4.472018      0.220810
  H      -7.396079      5.494795      1.586271
  H      -6.697288      1.411871      7.066299
  H      -9.274963      1.101322      2.920407
  N      -3.386350      1.807367      2.556257
  H      -2.915021      0.936946      2.280087
  H      -2.797851      2.573706      2.214426
  H      -4.256100      1.853039      2.001202
90
Coordinates from ORCA-job orca E -6670.665317982399
  N      -2.001861      0.578933      4.795712
  Mo     -3.657269      1.827797      4.808838
  N      -4.607267      1.549907      6.623751
  C      -3.967564      1.527809      7.920117
  C      -2.473694      1.539634      7.625926
  N      -2.197422      2.459139      6.478621
  C      -0.814166      2.249552      5.957977
  C      -0.687880      0.863181      5.323278
  C      -2.367557      3.905576      6.867504
  C      -3.561695      4.503408      6.144080
  N      -3.580746      3.918211      4.802550
  H       0.084138      0.895280      4.536736
  H      -0.382962      0.095859      6.052809
  H      -0.658900      3.020789      5.191838
  H      -0.073353      2.406085      6.760231
  H      -4.503772      4.249104      6.655339
  H      -3.483915      5.599215      6.098389
  H      -2.464492      3.984630      7.959641
  H      -1.456008      4.443049      6.574782
  H      -4.229620      0.635826      8.512478
  H      -4.266083      2.415003      8.505414
  H      -2.157888      0.533305      7.326576
  H      -1.879909      1.846164      8.503157
  C      -7.610837      0.333147     -0.793462
  C      -6.699408      0.440660      0.400018
  O      -5.768840      1.252241      0.418262
  C      -6.915940     -0.476824      1.552648
  C      -8.114231     -1.166632      1.807973
  C      -8.244911     -1.923808      2.969797
  C      -7.173085     -2.025394      3.854866
  F      -7.343320     -2.750233      4.975710
  C      -5.950255     -1.378875      3.620182
  C      -4.710174     -1.563304      4.435829
  O      -4.433163     -2.639791      4.974295
  N      -3.882438     -0.453675      4.450850
  C      -2.557209     -0.610270      4.650021
  C      -5.867586     -0.608067      2.463849
  C      -8.908794      9.834515      0.258160
  C      -7.939506      8.689176      0.450664
  O      -8.024750      7.671286     -0.235044
  C      -6.888607      8.813856      1.502301
  C      -6.891433      9.846474      2.455685
  C      -5.929580      9.877198      3.461890
  C      -4.976803      8.863207      3.518344
  F      -4.056664      8.918045      4.507380
  C      -4.924588      7.827699      2.577967
  C      -3.964622      6.668318      2.609571
  O      -3.395028      6.315497      1.568099
  N      -3.899367      6.047570      3.836047
  C      -3.709675      4.741325      3.765622
  C      -5.883158      7.839558      1.563380
  C     -11.053636      2.886275     -0.457367
  C     -10.400358      2.087538      0.648612
  O     -10.755027      0.929827      0.876065
  C      -9.315282      2.728423      1.443117
  C      -8.790995      3.991544      1.112864
  C      -7.799273      4.562494      1.899142
  C      -7.323767      3.859339      3.004073
  F      -6.432446      4.489985      3.792906
  C      -7.782379      2.580928      3.352149
  C      -7.381806      1.826207      4.587915
  O      -8.248881      1.151125      5.167830
  N      -6.087474      1.956909      5.050975
  C      -5.886095      1.591720      6.346827
  C      -8.808066      2.054168      2.561271
  H      -8.666372      0.419413     -0.501322
  H      -7.358032      1.109069     -1.523685
  H      -7.499195     -0.661966     -1.252972
  H      -8.968620     -1.068007      1.138920
  H      -9.181055     -2.424357      3.216644
  H      -2.039610     -1.575014      4.717771
  H      -4.928364     -0.110579      2.250216
  H      -9.521858      9.974835      1.161917
  H      -8.374555     10.779505      0.079942
  H      -9.564627      9.611671     -0.590033
  H      -7.652126     10.626574      2.425441
  H      -5.909582     10.669722      4.210421
  H      -3.722149      4.264930      2.776502
  H      -5.859961      7.052974      0.807417
  H     -11.858906      2.291495     -0.901066
  H     -10.315825      3.140034     -1.234452
  H     -11.457495      3.836177     -0.077084
  H      -9.162793      4.547722      0.252348
  H      -7.406401      5.554782      1.680137
  H      -6.698318      1.364776      7.047533
  H      -9.235467      1.093018      2.843285
  N      -3.407429      1.794179      2.545415
  H      -2.927589      0.929124      2.267487
  H      -2.830377      2.567254      2.198992
  H      -4.280796      1.828915      1.995070
90
Coordinates from ORCA-job orca E -6670.665434247528
  N      -1.995062      0.597419      4.781606
  Mo     -3.662461      1.829480      4.800973
  N      -4.611957      1.535164      6.613343
  C      -3.973217      1.506115      7.909658
  C      -2.479385      1.534581      7.616665
  N      -2.211660      2.464947      6.476397
  C      -0.826009      2.274445      5.954592
  C      -0.683813      0.894183      5.309657
  C      -2.397718      3.907186      6.874403
  C      -3.587990      4.502063      6.141340
  N      -3.593519      3.921344      4.797691
  H       0.086435      0.942166      4.522216
  H      -0.368777      0.125515      6.033405
  H      -0.679797      3.053439      5.194553
  H      -0.087401      2.433486      6.758397
  H      -4.533690      4.242530      6.643313
  H      -3.514652      5.598347      6.099696
  H      -2.509478      3.976586      7.965715
  H      -1.486626      4.454105      6.598317
  H      -4.227313      0.606112      8.493327
  H      -4.280445      2.384925      8.503027
  H      -2.153430      0.533560      7.310198
  H      -1.889393      1.840274      8.496782
  C      -7.620873      0.260361     -0.788254
  C      -6.717796      0.396791      0.408129
  O      -5.802190      1.225340      0.422186
  C      -6.921758     -0.513296      1.569501
  C      -8.114131     -1.208514      1.837906
  C      -8.231117     -1.961302      3.004212
  C      -7.151700     -2.051494      3.881226
  F      -7.307325     -2.773392      5.006199
  C      -5.934730     -1.399120      3.633225
  C      -4.687065     -1.571215      4.439900
  O      -4.396978     -2.644091      4.978776
  N      -3.868689     -0.454568      4.445820
  C      -2.539438     -0.597738      4.639068
  C      -5.865078     -0.633850      2.472578
  C      -8.881105      9.878679      0.257015
  C      -7.918157      8.727913      0.449188
  O      -8.005523      7.712940     -0.240470
  C      -6.869794      8.844619      1.504489
  C      -6.870479      9.874272      2.461054
  C      -5.911520      9.897089      3.470248
  C      -4.964045      8.878077      3.526578
  F      -4.046528      8.925669      4.518481
  C      -4.914103      7.845113      2.583227
  C      -3.959353      6.681423      2.613935
  O      -3.391576      6.327972      1.571390
  N      -3.902324      6.055052      3.838119
  C      -3.714813      4.748050      3.763631
  C      -5.869256      7.865326      1.565535
  C     -11.063103      2.910248     -0.457319
  C     -10.404196      2.101096      0.637429
  O     -10.761058      0.942784      0.858869
  C      -9.315506      2.734520      1.432702
  C      -8.792468      4.000740      1.111510
  C      -7.802504      4.567328      1.903133
  C      -7.327322      3.857175      3.003769
  F      -6.440603      4.484116      3.800416
  C      -7.782334      2.574909      3.341008
  C      -7.382927      1.814852      4.573733
  O      -8.248367      1.131141      5.145731
  N      -6.089637      1.945578      5.039772
  C      -5.890349      1.571287      6.333522
  C      -8.806567      2.052092      2.545254
  H      -8.679284      0.315463     -0.500256
  H      -7.387780      1.041605     -1.519407
  H      -7.476527     -0.731732     -1.245312
  H      -8.974542     -1.118123      1.175120
  H      -9.161553     -2.468471      3.259806
  H      -2.011619     -1.556923      4.707243
  H      -4.929695     -0.134852      2.246641
  H      -9.497378     10.017786      1.158792
  H      -8.341882     10.822020      0.085320
  H      -9.534314      9.662440     -0.594902
  H      -7.627191     10.658250      2.430890
  H      -5.889815     10.687186      4.221292
  H      -3.721910      4.274900      2.772631
  H      -5.847748      7.081150      0.807074
  H     -11.871979      2.320376     -0.901038
  H     -10.329625      3.169185     -1.236747
  H     -11.463067      3.857670     -0.066845
  H      -9.164508      4.562433      0.254700
  H      -7.411247      5.562539      1.693459
  H      -6.703340      1.333114      7.029591
  H      -9.233570      1.088654      2.820177
  N      -3.427955      1.794207      2.536883
  H      -2.943980      0.931746      2.258089
  H      -2.858929      2.570077      2.183714
  H      -4.305663      1.820435      1.993264
90
Coordinates from ORCA-job orca E -6670.665510166934
  N      -1.990232      0.608332      4.778584
  Mo     -3.669369      1.822225      4.799905
  N      -4.619900      1.519201      6.608865
  C      -3.982774      1.491642      7.904636
  C      -2.487957      1.541444      7.615250
  N      -2.230463      2.474336      6.476821
  C      -0.842431      2.302210      5.952729
  C      -0.681919      0.926519      5.301752
  C      -2.433645      3.913965      6.875016
  C      -3.615689      4.505274      6.126531
  N      -3.614509      3.917764      4.785647
  H       0.081489      0.993766      4.509141
  H      -0.350027      0.161398      6.021736
  H      -0.708051      3.088134      5.197734
  H      -0.107053      2.466441      6.758528
  H      -4.567447      4.255560      6.622398
  H      -3.538518      5.601199      6.078011
  H      -2.565092      3.979022      7.964318
  H      -1.522013      4.468383      6.616215
  H      -4.223463      0.583635      8.481759
  H      -4.304120      2.361591      8.503592
  H      -2.145826      0.544858      7.311222
  H      -1.905566      1.855790      8.497451
  C      -7.634175      0.199538     -0.776785
  C      -6.721736      0.349013      0.409426
  O      -5.813541      1.186291      0.410438
  C      -6.918230     -0.543965      1.587032
  C      -8.107595     -1.238420      1.868081
  C      -8.215687     -1.990747      3.035608
  C      -7.130671     -2.072095      3.905824
  F      -7.273454     -2.793189      5.033189
  C      -5.917463     -1.416831      3.646469
  C      -4.665608     -1.580627      4.447780
  O      -4.364321     -2.654007      4.980234
  N      -3.852873     -0.460061      4.451968
  C      -2.522854     -0.593472      4.638082
  C      -5.852869     -0.658424      2.481680
  C      -8.848154      9.979038      0.278949
  C      -7.901890      8.811725      0.453531
  O      -8.009432      7.804732     -0.244553
  C      -6.845940      8.903343      1.504837
  C      -6.820301      9.928318      2.466007
  C      -5.855151      9.926639      3.469397
  C      -4.928964      8.887545      3.516394
  F      -4.005087      8.913266      4.503339
  C      -4.905787      7.857217      2.568778
  C      -3.973932      6.674765      2.590880
  O      -3.431685      6.306933      1.539475
  N      -3.916269      6.048387      3.815381
  C      -3.733882      4.738669      3.746817
  C      -5.865499      7.903713      1.556163
  C     -11.070038      2.897882     -0.462869
  C     -10.395517      2.076966      0.612639
  O     -10.719368      0.902980      0.798508
  C      -9.317422      2.713229      1.419609
  C      -8.814531      3.994030      1.121562
  C      -7.836568      4.562197      1.926756
  C      -7.354371      3.843092      3.018283
  F      -6.483484      4.471226      3.831263
  C      -7.787747      2.548656      3.332963
  C      -7.383677      1.780132      4.558401
  O      -8.245106      1.087434      5.125022
  N      -6.092016      1.918366      5.027477
  C      -5.897154      1.544862      6.322025
  C      -8.800677      2.021574      2.523200
  H      -8.688220      0.222613     -0.470119
  H      -7.433216      0.996389     -1.500789
  H      -7.461461     -0.780170     -1.250403
  H      -8.972579     -1.156135      1.209127
  H      -9.141608     -2.504970      3.294376
  H      -1.986352     -1.547410      4.709123
  H      -4.917148     -0.169586      2.238804
  H      -9.458615     10.113748      1.185467
  H      -8.296719     10.917214      0.118828
  H      -9.507913      9.783849     -0.573016
  H      -7.560444     10.728348      2.444117
  H      -5.812488     10.712428      4.224058
  H      -3.742834      4.258802      2.759947
  H      -5.864695      7.123109      0.794494
  H     -11.863383      2.300157     -0.923986
  H     -10.341293      3.192651     -1.233880
  H     -11.492968      3.826141     -0.051207
  H      -9.190165      4.561161      0.269813
  H      -7.458859      5.567766      1.739892
  H      -6.712089      1.296960      7.012581
  H      -9.212999      1.045953      2.778012
  N      -3.437585      1.789230      2.534852
  H      -2.938326      0.934480      2.259476
  H      -2.882893      2.573156      2.177677
  H      -4.316687      1.794592      1.993529
90
Coordinates from ORCA-job orca E -6670.665729628334
  N      -1.989711      0.622409      4.758750
  Mo     -3.685547      1.814540      4.787313
  N      -4.622616      1.499433      6.602224
  C      -3.977600      1.471599      7.894179
  C      -2.485577      1.541724      7.595272
  N      -2.247924      2.482554      6.458382
  C      -0.860317      2.331964      5.927207
  C      -0.682710      0.959293      5.273334
  C      -2.471056      3.918053      6.862122
  C      -3.656283      4.497700      6.108500
  N      -3.645928      3.910050      4.767620
  H       0.074457      1.038400      4.475815
  H      -0.333720      0.197964      5.989257
  H      -0.740239      3.119968      5.171986
  H      -0.122736      2.506151      6.728820
  H      -4.606983      4.236278      6.600403
  H      -3.590476      5.594294      6.060776
  H      -2.611832      3.975800      7.950604
  H      -1.564002      4.485443      6.614859
  H      -4.204307      0.557965      8.468139
  H      -4.305650      2.334619      8.499704
  H      -2.133073      0.551090      7.284091
  H      -1.901132      1.859588      8.474866
  C      -7.663176      0.114920     -0.746510
  C      -6.744067      0.278852      0.432490
  O      -5.832446      1.112458      0.417198
  C      -6.928455     -0.604410      1.619206
  C      -8.113909     -1.296585      1.922659
  C      -8.206951     -2.034567      3.100850
  C      -7.110998     -2.106489      3.958462
  F      -7.240066     -2.812688      5.097034
  C      -5.902100     -1.453750      3.676850
  C      -4.640729     -1.602239      4.466641
  O      -4.324239     -2.668476      5.004538
  N      -3.841258     -0.472900      4.454561
  C      -2.507199     -0.586922      4.631514
  C      -5.853096     -0.708424      2.502495
  C      -8.838903     10.081378      0.311075
  C      -7.919461      8.891305      0.476162
  O      -8.059557      7.886959     -0.219917
  C      -6.852899      8.955798      1.518384
  C      -6.794994      9.978609      2.480625
  C      -5.820951      9.953430      3.474934
  C      -4.917973      8.893833      3.511837
  F      -3.983824      8.898108      4.489311
  C      -4.926917      7.864480      2.562945
  C      -4.017895      6.663980      2.573220
  O      -3.494591      6.286808      1.515556
  N      -3.954333      6.038489      3.796964
  C      -3.771535      4.729398      3.728351
  C      -5.895419      7.933449      1.559902
  C     -10.978619      2.915119     -0.530479
  C     -10.327481      2.091967      0.557606
  O     -10.659353      0.919039      0.737421
  C      -9.272796      2.728168      1.394911
  C      -8.773586      4.016375      1.123225
  C      -7.822221      4.585096      1.959566
  C      -7.360011      3.857478      3.054132
  F      -6.520746      4.486442      3.899588
  C      -7.785119      2.552617      3.338625
  C      -7.390700      1.770029      4.558047
  O      -8.254406      1.070440      5.111920
  N      -6.099658      1.901634      5.030633
  C      -5.901114      1.517459      6.321262
  C      -8.776481      2.028174      2.502119
  H      -8.716871      0.117016     -0.436829
  H      -7.479247      0.913521     -1.473129
  H      -7.474323     -0.862198     -1.219923
  H      -8.986449     -1.221108      1.273261
  H      -9.129264     -2.545264      3.378401
  H      -1.957825     -1.533502      4.703039
  H      -4.921195     -0.218667      2.244776
  H      -9.439057     10.229371      1.222393
  H      -8.266302     11.006239      0.147858
  H      -9.509742      9.903027     -0.535902
  H      -7.516646     10.795457      2.465608
  H      -5.753158     10.737549      4.229507
  H      -3.783655      4.248765      2.741383
  H      -5.918282      7.155039      0.796133
  H     -11.761319      2.318556     -1.010790
  H     -10.232782      3.212342     -1.284074
  H     -11.411048      3.842036     -0.125578
  H      -9.132721      4.590030      0.268819
  H      -7.450806      5.596526      1.793263
  H      -6.712464      1.259185      7.012265
  H      -9.186709      1.046868      2.736795
  N      -3.481034      1.765594      2.521599
  H      -2.974695      0.914750      2.246734
  H      -2.939839      2.553457      2.152342
  H      -4.366220      1.756772      1.989782
90
Coordinates from ORCA-job orca E -6670.665932701899
  N      -1.991740      0.633980      4.743067
  Mo     -3.710428      1.795889      4.773496
  N      -4.629963      1.473955      6.597276
  C      -3.974753      1.456427      7.884716
  C      -2.486513      1.556370      7.574150
  N      -2.276493      2.498372      6.431948
  C      -0.889817      2.373134      5.892714
  C      -0.688179      1.000111      5.245309
  C      -2.526097      3.930389      6.832677
  C      -3.717052      4.488433      6.071405
  N      -3.698775      3.891490      4.734816
  H       0.061113      1.089390      4.441417
  H      -0.316415      0.250066      5.961672
  H      -0.788851      3.157997      5.131535
  H      -0.150054      2.566759      6.687734
  H      -4.664506      4.214941      6.562977
  H      -3.666660      5.585365      6.016694
  H      -2.676395      3.985899      7.919937
  H      -1.626345      4.513200      6.593707
  H      -4.179543      0.538053      8.459446
  H      -4.314808      2.312260      8.493844
  H      -2.116277      0.572411      7.262943
  H      -1.902004      1.888536      8.448432
  C      -7.662147      0.003460     -0.715012
  C      -6.739877      0.182964      0.458861
  O      -5.825055      1.012923      0.429394
  C      -6.922325     -0.680960      1.659802
  C      -8.109270     -1.358850      1.989709
  C      -8.193725     -2.073384      3.183316
  C      -7.087563     -2.140348      4.028707
  F      -7.208980     -2.821553      5.183415
  C      -5.877983     -1.502524      3.720970
  C      -4.608208     -1.635013      4.500881
  O      -4.276260     -2.692020      5.047295
  N      -3.824201     -0.496279      4.468052
  C      -2.488175     -0.585240      4.635818
  C      -5.838630     -0.778275      2.532816
  C      -8.832659     10.267602      0.388010
  C      -7.977136      9.028474      0.536982
  O      -8.184251      8.034655     -0.157352
  C      -6.877938      9.040136      1.546294
  C      -6.737701     10.062279      2.501230
  C      -5.734515      9.991695      3.463615
  C      -4.883643      8.889668      3.475440
  F      -3.917721      8.852383      4.420695
  C      -4.974109      7.858729      2.532577
  C      -4.117562      6.619969      2.518986
  O      -3.639215      6.219648      1.448513
  N      -4.028108      6.007595      3.746548
  C      -3.839360      4.700047      3.688155
  C      -5.972262      7.970529      1.562670
  C     -10.851510      2.930897     -0.621681
  C     -10.246178      2.105145      0.490511
  O     -10.598159      0.937041      0.664404
  C      -9.217306      2.734177      1.364643
  C      -8.723880      4.032126      1.131343
  C      -7.808983      4.598299      2.009317
  C      -7.372543      3.855043      3.103873
  F      -6.577601      4.481400      3.993448
  C      -7.784128      2.535976      3.344301
  C      -7.401571      1.734315      4.554971
  O      -8.266831      1.024221      5.091767
  N      -6.113083      1.864453      5.034818
  C      -5.909823      1.474140      6.322819
  C      -8.745135      2.017536      2.471147
  H      -8.716000     -0.019202     -0.406245
  H      -7.496107      0.805501     -1.442342
  H      -7.450451     -0.968631     -1.189841
  H      -8.988258     -1.287350      1.349146
  H      -9.117004     -2.568614      3.483734
  H      -1.922613     -1.521836      4.712868
  H      -4.906598     -0.296460      2.257643
  H      -9.405364     10.449661      1.310710
  H      -8.213331     11.159247      0.210972
  H      -9.529341     10.125100     -0.444764
  H      -7.417413     10.914426      2.504354
  H      -5.603005     10.774670      4.210963
  H      -3.857556      4.210818      2.705379
  H      -6.057812      7.191889      0.802990
  H     -11.624061      2.341679     -1.126728
  H     -10.077022      3.217341     -1.350365
  H     -11.286959      3.863748     -0.234109
  H      -9.065438      4.618642      0.278497
  H      -7.448737      5.618437      1.876303
  H      -6.715987      1.202953      7.014862
  H      -9.151399      1.028052      2.675696
  N      -3.530773      1.721949      2.508102
  H      -3.006223      0.880695      2.237724
  H      -3.013108      2.518605      2.123799
  H      -4.420417      1.685255      1.984539
90
Coordinates from ORCA-job orca E -6670.666106464465
  N      -1.992719      0.653275      4.727863
  Mo     -3.734578      1.779457      4.762449
  N      -4.637483      1.445620      6.592901
  C      -3.973131      1.435456      7.875618
  C      -2.489297      1.571416      7.555267
  N      -2.309734      2.516734      6.410259
  C      -0.924236      2.423354      5.861982
  C      -0.694029      1.053644      5.215710
  C      -2.590004      3.943275      6.810719
  C      -3.783624      4.481048      6.038092
  N      -3.755265      3.875799      4.705564
  H       0.043878      1.160317      4.403438
  H      -0.294507      0.315345      5.929342
  H      -0.846492      3.208967      5.098926
  H      -0.183723      2.635617      6.651540
  H      -4.729804      4.198346      6.526961
  H      -3.746667      5.578104      5.976264
  H      -2.755239      3.992574      7.895989
  H      -1.697909      4.543237      6.585657
  H      -4.152645      0.509466      8.446622
  H      -4.328209      2.279819      8.492092
  H      -2.096686      0.596461      7.243256
  H      -1.907954      1.919035      8.425631
  C      -7.669742     -0.097714     -0.683455
  C      -6.742753      0.095658      0.483750
  O      -5.825612      0.922526      0.438520
  C      -6.914697     -0.756088      1.695077
  C      -8.098090     -1.428816      2.047572
  C      -8.169572     -2.127639      3.251373
  C      -7.054042     -2.183619      4.085333
  F      -7.162187     -2.847531      5.251542
  C      -5.848267     -1.550920      3.755457
  C      -4.569968     -1.663677      4.525444
  O      -4.218437     -2.713108      5.073853
  N      -3.803724     -0.513747      4.478068
  C      -2.464571     -0.576779      4.634306
  C      -5.820642     -0.845298      2.555949
  C      -8.791096     10.455171      0.441929
  C      -7.991182      9.176798      0.567670
  O      -8.262813      8.195616     -0.122200
  C      -6.877483      9.129881      1.559980
  C      -6.668710     10.142842      2.512525
  C      -5.649383     10.023817      3.452783
  C      -4.850722      8.883680      3.445168
  F      -3.864751      8.801853      4.366662
  C      -5.011820      7.857871      2.505989
  C      -4.205745      6.585936      2.473726
  O      -3.778043      6.161391      1.390906
  N      -4.098064      5.981671      3.703683
  C      -3.906567      4.674118      3.653292
  C      -6.025580      8.016715      1.558993
  C     -10.756934      2.939061     -0.685359
  C     -10.185271      2.105963      0.438814
  O     -10.543876      0.937635      0.596017
  C      -9.181410      2.728732      1.346463
  C      -8.702681      4.038766      1.152643
  C      -7.821572      4.601734      2.066613
  C      -7.399834      3.841234      3.154992
  F      -6.645008      4.461941      4.082822
  C      -7.790466      2.508570      3.352618
  C      -7.412948      1.689436      4.553124
  O      -8.275697      0.965958      5.074921
  N      -6.126808      1.822566      5.037475
  C      -5.918217      1.427445      6.323279
  C      -8.723128      1.994628      2.447242
  H      -8.721739     -0.126167     -0.369735
  H      -7.514768      0.702545     -1.415429
  H      -7.448711     -1.069069     -1.155699
  H      -8.984926     -1.364487      1.417129
  H      -9.090278     -2.616386      3.569515
  H      -1.879820     -1.501328      4.713233
  H      -4.890786     -0.369661      2.262733
  H      -9.340780     10.655233      1.374960
  H      -8.134481     11.319063      0.262287
  H      -9.506632     10.351641     -0.380569
  H      -7.305604     11.027384      2.529299
  H      -5.463772     10.799709      4.196079
  H      -3.929274      4.176633      2.674686
  H      -6.163721      7.243946      0.800551
  H     -11.514221      2.354136     -1.217773
  H      -9.960953      3.230387     -1.388642
  H     -11.203345      3.869325     -0.304219
  H      -9.034279      4.638344      0.304910
  H      -7.478656      5.631815      1.969176
  H      -6.719239      1.141608      7.015390
  H      -9.118268      0.994680      2.620266
  N      -3.570529      1.690749      2.497849
  H      -3.026374      0.860401      2.232512
  H      -3.075541      2.496102      2.101870
  H      -4.461978      1.625834      1.979791
90
Coordinates from ORCA-job orca E -6670.666346159719
  N      -1.990493      0.664935      4.706106
  Mo     -3.743902      1.773402      4.756138
  N      -4.632558      1.427775      6.591955
  C      -3.958920      1.414414      7.869596
  C      -2.478456      1.571789      7.540960
  N      -2.319107      2.520698      6.396009
  C      -0.936789      2.445097      5.837480
  C      -0.694299      1.078705      5.189143
  C      -2.611029      3.943757      6.801753
  C      -3.806720      4.476907      6.028713
  N      -3.779204      3.871632      4.696774
  H       0.039099      1.194381      4.373954
  H      -0.282476      0.344812      5.900434
  H      -0.875124      3.231759      5.073948
  H      -0.192351      2.666153      6.621012
  H      -4.751100      4.191049      6.519001
  H      -3.773165      5.574050      5.966302
  H      -2.779654      3.986349      7.886661
  H      -1.722246      4.550087      6.581158
  H      -4.123020      0.481013      8.432966
  H      -4.319439      2.249333      8.495503
  H      -2.072233      0.602796      7.227787
  H      -1.898401      1.928187      8.408539
  C      -7.682951     -0.196421     -0.682396
  C      -6.751080      0.020126      0.476689
  O      -5.837498      0.849602      0.413154
  C      -6.915888     -0.808933      1.704284
  C      -8.099794     -1.467310      2.080317
  C      -8.163494     -2.144940      3.296323
  C      -7.040359     -2.193220      4.120394
  F      -7.141061     -2.836325      5.299083
  C      -5.834222     -1.573425      3.769038
  C      -4.548901     -1.673821      4.530084
  O      -4.186447     -2.717586      5.081272
  N      -3.791368     -0.518111      4.471633
  C      -2.452621     -0.569885      4.618341
  C      -5.813085     -0.891635      2.555567
  C      -8.749767     10.539883      0.416640
  C      -7.959713      9.253716      0.524431
  O      -8.221294      8.294183     -0.198889
  C      -6.875551      9.169333      1.546693
  C      -6.677861     10.159641      2.525022
  C      -5.678094     10.012347      3.482178
  C      -4.888495      8.866093      3.466217
  F      -3.918587      8.758979      4.402102
  C      -5.043964      7.858521      2.505926
  C      -4.244600      6.582428      2.464613
  O      -3.835147      6.155415      1.374984
  N      -4.131884      5.975201      3.693791
  C      -3.935400      4.667443      3.643330
  C      -6.036849      8.046441      1.542697
  C     -10.688142      2.977870     -0.711327
  C     -10.157738      2.139271      0.428690
  O     -10.533374      0.975283      0.576095
  C      -9.164864      2.749004      1.357907
  C      -8.694628      4.066133      1.194458
  C      -7.832518      4.620930      2.131379
  C      -7.417489      3.842354      3.209207
  F      -6.682768      4.449866      4.161542
  C      -7.796346      2.502607      3.375093
  C      -7.418865      1.671358      4.566828
  O      -8.278993      0.942044      5.084115
  N      -6.131522      1.803296      5.046900
  C      -5.914936      1.401363      6.329778
  C      -8.713313      1.996964      2.449656
  H      -8.734125     -0.205068     -0.364771
  H      -7.526143      0.585494     -1.433764
  H      -7.469881     -1.180077     -1.131829
  H      -8.993033     -1.409558      1.458013
  H      -9.084389     -2.621190      3.632304
  H      -1.858919     -1.488812      4.697065
  H      -4.882380     -0.429648      2.243099
  H      -9.322346     10.716506      1.340650
  H      -8.084042     11.404465      0.279003
  H      -9.444564     10.464983     -0.426541
  H      -7.305528     11.050739      2.547054
  H      -5.499086     10.772108      4.243592
  H      -3.957346      4.169892      2.665156
  H      -6.166428      7.290694      0.765632
  H     -11.439524      2.403284     -1.263039
  H      -9.869755      3.256734     -1.393728
  H     -11.130845      3.914837     -0.342866
  H      -9.022778      4.678187      0.354317
  H      -7.501157      5.657143      2.063774
  H      -6.710687      1.104611      7.023181
  H      -9.100725      0.990033      2.598755
  N      -3.599555      1.690169      2.492451
  H      -3.040878      0.871435      2.221526
  H      -3.125409      2.504944      2.090358
  H      -4.494261      1.606015      1.982749
90
Coordinates from ORCA-job orca E -6670.666621302748
  N      -1.997547      0.676362      4.680783
  Mo     -3.761713      1.765126      4.754984
  N      -4.623253      1.404541      6.600685
  C      -3.934704      1.384826      7.869363
  C      -2.460650      1.566750      7.523373
  N      -2.329812      2.522189      6.379899
  C      -0.954094      2.468804      5.801628
  C      -0.700328      1.108422      5.144405
  C      -2.634400      3.940718      6.794833
  C      -3.830655      4.472055      6.020138
  N      -3.806454      3.865149      4.689269
  H       0.017576      1.239377      4.317785
  H      -0.265235      0.379187      5.846680
  H      -0.916186      3.259882      5.041049
  H      -0.202109      2.698255      6.575600
  H      -4.774623      4.186593      6.511555
  H      -3.797993      5.569168      5.955528
  H      -2.810649      3.973174      7.878686
  H      -1.748241      4.554279      6.584853
  H      -4.078475      0.442294      8.422887
  H      -4.298748      2.207125      8.509637
  H      -2.042602      0.605338      7.202286
  H      -1.876371      1.929800      8.385209
  C      -7.696553     -0.311375     -0.685469
  C      -6.762877     -0.061245      0.465164
  O      -5.853859      0.770886      0.378225
  C      -6.924765     -0.856093      1.715816
  C      -8.112443     -1.493039      2.114614
  C      -8.173942     -2.146327      3.343589
  C      -7.045237     -2.188401      4.160001
  F      -7.141669     -2.809822      5.350896
  C      -5.836071     -1.586351      3.788443
  C      -4.544885     -1.682017      4.540746
  O      -4.177283     -2.723005      5.093191
  N      -3.791875     -0.523520      4.474750
  C      -2.448298     -0.564135      4.600771
  C      -5.815804     -0.930249      2.561009
  C      -8.738350     10.588559      0.397779
  C      -7.959925      9.294961      0.501397
  O      -8.207251      8.352349     -0.248505
  C      -6.889609      9.190483      1.536917
  C      -6.694197     10.169915      2.525965
  C      -5.704687     10.006676      3.491274
  C      -4.922981      8.854783      3.472579
  F      -3.960003      8.736402      4.414031
  C      -5.078963      7.855392      2.502413
  C      -4.289833      6.572804      2.457196
  O      -3.903827      6.137621      1.361750
  N      -4.164348      5.967500      3.687114
  C      -3.969430      4.658061      3.636449
  C      -6.059480      8.061610      1.530638
  C     -10.573307      3.048159     -0.744553
  C     -10.077581      2.192746      0.398357
  O     -10.454294      1.025903      0.515524
  C      -9.110878      2.788541      1.364555
  C      -8.658834      4.116785      1.248867
  C      -7.829881      4.660408      2.222048
  C      -7.427279      3.858665      3.287397
  F      -6.734069      4.450962      4.279973
  C      -7.781749      2.507353      3.403054
  C      -7.410772      1.654208      4.581464
  O      -8.274306      0.923727      5.090796
  N      -6.124910      1.779995      5.063952
  C      -5.906943      1.375746      6.346555
  C      -8.668297      2.011660      2.443222
  H      -8.747063     -0.279513     -0.367523
  H      -7.525705      0.435201     -1.469164
  H      -7.503917     -1.317313     -1.091919
  H      -9.009998     -1.441060      1.497237
  H      -9.097186     -2.607230      3.694890
  H      -1.843612     -1.476587      4.670672
  H      -4.882015     -0.488550      2.229616
  H      -9.330635     10.752991      1.311605
  H      -8.064600     11.451153      0.289863
  H      -9.414773     10.533096     -0.461731
  H      -7.316076     11.064994      2.552055
  H      -5.527604     10.758001      4.261450
  H      -4.001304      4.158476      2.659048
  H      -6.190009      7.312639      0.747469
  H     -11.300367      2.478713     -1.333000
  H      -9.733562      3.346195     -1.391883
  H     -11.036749      3.974695     -0.375316
  H      -8.976371      4.745251      0.416731
  H      -7.516025      5.704147      2.193979
  H      -6.699646      1.071439      7.040090
  H      -9.039234      0.993170      2.553082
  N      -3.646701      1.677816      2.491371
  H      -3.079682      0.865747      2.217648
  H      -3.189472      2.496355      2.077731
  H      -4.545727      1.576565      1.992799
90
Coordinates from ORCA-job orca E -6670.667006127217
  N      -2.012648      0.667036      4.656256
  Mo     -3.781120      1.750624      4.759900
  N      -4.605512      1.386631      6.622240
  C      -3.896448      1.366996      7.878922
  C      -2.429610      1.563004      7.507568
  N      -2.325915      2.515002      6.358173
  C      -0.960160      2.466848      5.754270
  C      -0.710214      1.105432      5.097963
  C      -2.626650      3.934441      6.774616
  C      -3.831598      4.465382      6.013717
  N      -3.830478      3.851591      4.686118
  H      -0.005533      1.236689      4.260040
  H      -0.260559      0.381246      5.796368
  H      -0.942876      3.255009      4.989922
  H      -0.195229      2.705121      6.512801
  H      -4.768840      4.184555      6.520250
  H      -3.797375      5.562057      5.942667
  H      -2.790492      3.968549      7.860232
  H      -1.742511      4.546347      6.552287
  H      -4.022292      0.419957      8.428875
  H      -4.256552      2.182734      8.529529
  H      -2.006950      0.604595      7.183854
  H      -1.835014      1.936351      8.357682
  C      -7.706295     -0.449078     -0.701614
  C      -6.771272     -0.155968      0.438232
  O      -5.865642      0.675931      0.323319
  C      -6.940003     -0.899984      1.718372
  C      -8.138672     -1.499798      2.139384
  C      -8.209103     -2.115417      3.386747
  C      -7.078159     -2.157378      4.199699
  F      -7.181658     -2.745906      5.406929
  C      -5.858749     -1.588823      3.808743
  C      -4.564921     -1.688910      4.556667
  O      -4.202904     -2.728193      5.115014
  N      -3.806692     -0.534528      4.480289
  C      -2.462880     -0.574714      4.584803
  C      -5.830045     -0.966408      2.563734
  C      -8.781231     10.597551      0.378559
  C      -7.996338      9.306767      0.466374
  O      -8.232264      8.376259     -0.301953
  C      -6.939960      9.186567      1.514977
  C      -6.750810     10.156973      2.513082
  C      -5.772353      9.981950      3.487657
  C      -4.995834      8.826085      3.469767
  F      -4.041506      8.702508      4.418445
  C      -5.148831      7.832156      2.491290
  C      -4.372912      6.541154      2.445215
  O      -4.015391      6.091839      1.345699
  N      -4.217826      5.947012      3.678124
  C      -4.015882      4.637322      3.631161
  C      -6.115868      8.053529      1.509446
  C     -10.369803      3.174475     -0.794078
  C      -9.929795      2.294140      0.352773
  O     -10.323686      1.130265      0.435425
  C      -9.009694      2.868242      1.377037
  C      -8.583854      4.208446      1.331230
  C      -7.806107      4.732414      2.356900
  C      -7.426078      3.897976      3.404680
  F      -6.792382      4.464783      4.451612
  C      -7.749255      2.534348      3.449253
  C      -7.394211      1.650520      4.610187
  O      -8.265626      0.920618      5.105713
  N      -6.110950      1.761846      5.097802
  C      -5.891223      1.355321      6.380357
  C      -8.587154      2.056535      2.438819
  H      -8.755557     -0.345286     -0.393711
  H      -7.503061      0.235829     -1.532453
  H      -7.557977     -1.488166     -1.035472
  H      -9.036161     -1.450929      1.521022
  H      -9.140738     -2.545753      3.754514
  H      -1.855528     -1.486154      4.644489
  H      -4.888368     -0.554069      2.216527
  H      -9.380659     10.744961      1.290654
  H      -8.111907     11.465605      0.287560
  H      -9.451646     10.552278     -0.486257
  H      -7.369575     11.054125      2.542035
  H      -5.600176     10.726515      4.265430
  H      -4.063718      4.133835      2.656239
  H      -6.245436      7.309207      0.722233
  H     -11.064283      2.617012     -1.431314
  H      -9.499625      3.491397     -1.389847
  H     -10.856736      4.090163     -0.427864
  H      -8.882594      4.861171      0.510840
  H      -7.516041      5.782796      2.382402
  H      -6.680389      1.049304      7.077061
  H      -8.935178      1.025241      2.492534
  N      -3.694382      1.663780      2.495801
  H      -3.120098      0.859230      2.215195
  H      -3.253019      2.487144      2.074615
  H      -4.595595      1.549225      2.005515
90
Coordinates from ORCA-job orca E -6670.667498762290
  N      -2.030782      0.652046      4.622804
  Mo     -3.806947      1.726734      4.761685
  N      -4.583078      1.353132      6.643584
  C      -3.848861      1.333773      7.884860
  C      -2.392121      1.548992      7.481618
  N      -2.321843      2.500733      6.329210
  C      -0.968029      2.460102      5.695377
  C      -0.722184      1.098435      5.037251
  C      -2.622289      3.919131      6.749870
  C      -3.842778      4.444542      6.010073
  N      -3.866632      3.827316      4.683484
  H      -0.034732      1.232029      4.185524
  H      -0.254740      0.379034      5.728861
  H      -0.975003      3.246431      4.929119
  H      -0.189465      2.707842      6.436738
  H      -4.768989      4.160221      6.534496
  H      -3.815713      5.541119      5.935851
  H      -2.767483      3.954353      7.838097
  H      -1.744643      4.534513      6.511271
  H      -3.951329      0.381276      8.430164
  H      -4.205469      2.139968      8.549057
  H      -1.966017      0.595702      7.147998
  H      -1.783001      1.929710      8.317963
  C      -7.734820     -0.626304     -0.704060
  C      -6.792179     -0.283024      0.415498
  O      -5.881235      0.535551      0.259974
  C      -6.963671     -0.964311      1.729667
  C      -8.174215     -1.514714      2.182462
  C      -8.250787     -2.079063      3.453528
  C      -7.113074     -2.123372      4.256451
  F      -7.219920     -2.665166      5.485417
  C      -5.883308     -1.600480      3.835684
  C      -4.585776     -1.704504      4.577116
  O      -4.227225     -2.741537      5.141175
  N      -3.822926     -0.555812      4.482447
  C      -2.477700     -0.591523      4.561456
  C      -5.849434     -1.020815      2.569618
  C      -8.867779     10.552875      0.333669
  C      -8.075738      9.266927      0.425635
  O      -8.294827      8.339005     -0.350575
  C      -7.026223      9.150864      1.482169
  C      -6.845250     10.124845      2.477215
  C      -5.875733      9.952717      3.461393
  C      -5.099972      8.795535      3.456490
  F      -4.155953      8.680619      4.415133
  C      -5.245732      7.796129      2.480508
  C      -4.482769      6.497361      2.442047
  O      -4.153825      6.027833      1.342125
  N      -4.295799      5.918232      3.678055
  C      -4.081380      4.609323      3.631035
  C      -6.203220      8.017101      1.488620
  C     -10.071915      3.413593     -0.847618
  C      -9.706044      2.489241      0.290699
  O     -10.112031      1.326814      0.309404
  C      -8.854181      3.020746      1.393898
  C      -8.458461      4.368669      1.448475
  C      -7.749027      4.849025      2.543646
  C      -7.404174      3.963967      3.560687
  F      -6.838757      4.480823      4.672106
  C      -7.696235      2.592754      3.506282
  C      -7.369598      1.658113      4.636220
  O      -8.254180      0.924466      5.100091
  N      -6.091567      1.741380      5.137242
  C      -5.871004      1.315809      6.414832
  C      -8.469403      2.156467      2.429135
  H      -8.777953     -0.449404     -0.406124
  H      -7.503972     -0.015598     -1.583832
  H      -7.636881     -1.694311     -0.954042
  H      -9.072990     -1.466107      1.565662
  H      -9.191124     -2.465588      3.846804
  H      -1.864730     -1.500049      4.607648
  H      -4.900459     -0.642333      2.201822
  H      -9.471099     10.698376      1.243362
  H      -8.203856     11.425200      0.242265
  H      -9.534624     10.502649     -0.533616
  H      -7.464172     11.022017      2.499331
  H      -5.710357     10.699842      4.238075
  H      -4.146055      4.105563      2.657238
  H      -6.329603      7.268273      0.705807
  H     -10.715229      2.877670     -1.553322
  H      -9.165572      3.763082     -1.365581
  H     -10.595099      4.309062     -0.480882
  H      -8.725419      5.061212      0.649952
  H      -7.484034      5.901051      2.641511
  H      -6.656583      1.002776      7.112391
  H      -8.794106      1.116689      2.403172
  N      -3.754187      1.639036      2.494908
  H      -3.175124      0.840809      2.206125
  H      -3.327715      2.466503      2.066242
  H      -4.656724      1.513372      2.012950
90
Coordinates from ORCA-job orca E -6670.667870492493
  N      -2.055499      0.624836      4.595033
  Mo     -3.832273      1.705624      4.762668
  N      -4.563165      1.334122      6.666270
  C      -3.803114      1.317968      7.890902
  C      -2.355522      1.537822      7.455154
  N      -2.309779      2.484428      6.297278
  C      -0.967969      2.435867      5.636668
  C      -0.738046      1.068425      4.983830
  C      -2.599824      3.905201      6.716719
  C      -3.836639      4.427894      6.002026
  N      -3.891338      3.804601      4.677912
  H      -0.064289      1.193496      4.119962
  H      -0.261624      0.351786      5.672134
  H      -0.989500      3.216417      4.864929
  H      -0.175263      2.688637      6.360916
  H      -4.750805      4.144819      6.547575
  H      -3.812834      5.524113      5.922899
  H      -2.720257      3.947163      7.807819
  H      -1.727348      4.519447      6.455495
  H      -3.889914      0.365138      8.438580
  H      -4.149344      2.122161      8.563132
  H      -1.935684      0.584579      7.114330
  H      -1.727994      1.922650      8.275831
  C      -7.774166     -0.774707     -0.710903
  C      -6.834026     -0.378756      0.393965
  O      -5.918628      0.427454      0.207779
  C      -7.006493     -1.007272      1.734480
  C      -8.225070     -1.519333      2.210422
  C      -8.306926     -2.035327      3.501640
  C      -7.164655     -2.080097      4.297562
  F      -7.273841     -2.580981      5.544061
  C      -5.927725     -1.596722      3.853799
  C      -4.628955     -1.711981      4.593093
  O      -4.284064     -2.748050      5.167370
  N      -3.853478     -0.575415      4.484111
  C      -2.508520     -0.616203      4.544574
  C      -5.889830     -1.051749      2.570934
  C      -9.007795     10.451302      0.323531
  C      -8.199182      9.176456      0.422620
  O      -8.419495      8.233685     -0.335232
  C      -7.131908      9.088176      1.463936
  C      -6.947499     10.078075      2.442301
  C      -5.968861      9.924286      3.420482
  C      -5.187414      8.770304      3.427914
  F      -4.241442      8.674887      4.385334
  C      -5.333542      7.756629      2.466429
  C      -4.580506      6.452538      2.434721
  O      -4.283138      5.961100      1.335144
  N      -4.361757      5.889398      3.672592
  C      -4.137640      4.581241      3.627936
  C      -6.301513      7.959985      1.479809
  C      -9.703858      3.638880     -0.911334
  C      -9.428115      2.682112      0.225720
  O      -9.840239      1.522477      0.184930
  C      -8.668428      3.178949      1.408517
  C      -8.307663      4.529182      1.553965
  C      -7.682909      4.968861      2.716507
  C      -7.381791      4.043661      3.709534
  F      -6.885742      4.513608      4.875493
  C      -7.646581      2.672220      3.570622
  C      -7.362570      1.699669      4.680069
  O      -8.267774      0.977714      5.118790
  N      -6.085200      1.738704      5.184612
  C      -5.855683      1.299941      6.457104
  C      -8.339516      2.273561      2.428117
  H      -8.812617     -0.538786     -0.434801
  H      -7.516933     -0.235380     -1.628638
  H      -7.718414     -1.861385     -0.879672
  H      -9.122454     -1.473088      1.592317
  H      -9.252973     -2.383615      3.915141
  H      -1.897465     -1.526691      4.579280
  H      -4.936252     -0.695271      2.189529
  H      -9.590730     10.610086      1.243978
  H      -8.356352     11.328789      0.196824
  H      -9.693592     10.375393     -0.526941
  H      -7.571186     10.972007      2.457482
  H      -5.801316     10.682809      4.185514
  H      -4.222056      4.075927      2.657284
  H      -6.430718      7.198580      0.710438
  H     -10.280131      3.119530     -1.684142
  H      -8.761252      4.014547     -1.337348
  H     -10.268621      4.517066     -0.564148
  H      -8.532518      5.255935      0.772820
  H      -7.446878      6.019167      2.875724
  H      -6.635228      0.988705      7.162031
  H      -8.638250      1.230588      2.329545
  N      -3.810351      1.612684      2.492432
  H      -3.232346      0.815781      2.197187
  H      -3.391648      2.441083      2.057419
  H      -4.714405      1.482967      2.017504
90
Coordinates from ORCA-job orca E -6670.668305692435
  N      -2.069498      0.639273      4.581783
  Mo     -3.848342      1.712386      4.763316
  N      -4.559233      1.332574      6.675974
  C      -3.785099      1.314337      7.891477
  C      -2.344018      1.547777      7.441680
  N      -2.316563      2.497072      6.285315
  C      -0.981181      2.456840      5.611895
  C      -0.750749      1.090350      4.956440
  C      -2.611017      3.914998      6.711224
  C      -3.850206      4.437293      5.998740
  N      -3.910841      3.813090      4.675229
  H      -0.087304      1.219557      4.085241
  H      -0.262325      0.376241      5.638809
  H      -1.014395      3.237903      4.841210
  H      -0.182675      2.712832      6.328481
  H      -4.762653      4.155903      6.547888
  H      -3.825734      5.533408      5.918485
  H      -2.733621      3.949402      7.802284
  H      -1.739839      4.533809      6.456210
  H      -3.857970      0.357208      8.433826
  H      -4.129750      2.111027      8.573341
  H      -1.920210      0.598717      7.094544
  H      -1.711331      1.935699      8.256951
  C      -7.777467     -0.834748     -0.733383
  C      -6.848709     -0.413683      0.372432
  O      -5.941712      0.401165      0.184573
  C      -7.015140     -1.036653      1.716162
  C      -8.227266     -1.565605      2.189684
  C      -8.306520     -2.075395      3.483493
  C      -7.166724     -2.096832      4.283795
  F      -7.271486     -2.593516      5.532619
  C      -5.935872     -1.597239      3.842158
  C      -4.637530     -1.703284      4.585049
  O      -4.284898     -2.741792      5.150249
  N      -3.865500     -0.564732      4.478372
  C      -2.518478     -0.602703      4.529728
  C      -5.900354     -1.058920      2.556042
  C      -8.972025     10.508476      0.325151
  C      -8.172489      9.227666      0.421092
  O      -8.404854      8.285548     -0.334115
  C      -7.105556      9.130129      1.461647
  C      -6.914327     10.116409      2.443013
  C      -5.939918      9.950481      3.423233
  C      -5.169436      8.789161      3.430583
  F      -4.228675      8.680955      4.391821
  C      -5.320490      7.780603      2.465266
  C      -4.583452      6.467553      2.432117
  O      -4.286837      5.977007      1.330988
  N      -4.376936      5.899010      3.670061
  C      -4.160241      4.588925      3.626294
  C      -6.284816      7.995073      1.477066
  C      -9.635244      3.588776     -0.916982
  C      -9.389299      2.642351      0.235359
  O      -9.791308      1.479555      0.191676
  C      -8.667256      3.152779      1.436319
  C      -8.341057      4.510714      1.593917
  C      -7.744731      4.959267      2.768125
  C      -7.435756      4.035918      3.759739
  F      -6.946742      4.505083      4.929706
  C      -7.676524      2.661703      3.614497
  C      -7.391119      1.699634      4.731835
  O      -8.297545      0.992626      5.190383
  N      -6.105524      1.731941      5.215787
  C      -5.855310      1.299747      6.485954
  C      -8.339540      2.251043      2.459278
  H      -8.810078     -0.543050     -0.488800
  H      -7.485622     -0.345780     -1.668797
  H      -7.762748     -1.928999     -0.849524
  H      -9.122145     -1.539557      1.567217
  H      -9.247504     -2.440150      3.893837
  H      -1.903757     -1.510961      4.555209
  H      -4.951623     -0.688262      2.174809
  H      -9.550552     10.671119      1.247716
  H      -8.314802     11.381318      0.196470
  H      -9.661284     10.437437     -0.522962
  H      -7.529475     11.016249      2.458445
  H      -5.767107     10.705513      4.190622
  H      -4.249004      4.082969      2.656915
  H      -6.418534      7.235779      0.706423
  H     -10.176050      3.057843     -1.707385
  H      -8.683391      3.976712     -1.310162
  H     -10.224746      4.460248     -0.594638
  H      -8.569235      5.235775      0.812131
  H      -7.529784      6.013591      2.932783
  H      -6.624084      0.987263      7.201990
  H      -8.613061      1.202197      2.350862
  N      -3.837490      1.619287      2.492238
  H      -3.261348      0.820521      2.197584
  H      -3.420343      2.445567      2.051525
  H      -4.743864      1.488556      2.022235
90
Coordinates from ORCA-job orca E -6670.668566769315
  N      -2.077730      0.649960      4.561087
  Mo     -3.869667      1.697991      4.759960
  N      -4.551114      1.308107      6.680815
  C      -3.764060      1.303444      7.887814
  C      -2.332007      1.563710      7.423663
  N      -2.333209      2.509220      6.262874
  C      -1.006432      2.487293      5.573051
  C      -0.762816      1.122380      4.919617
  C      -2.642116      3.923477      6.688111
  C      -3.891281      4.430800      5.982757
  N      -3.959154      3.799726      4.663789
  H      -0.111850      1.259612      4.040165
  H      -0.254661      0.418562      5.598372
  H      -1.060149      3.265353      4.800261
  H      -0.202983      2.756383      6.279346
  H      -4.796593      4.145965      6.541716
  H      -3.875867      5.526741      5.896045
  H      -2.761142      3.955808      7.779544
  H      -1.779173      4.552223      6.430081
  H      -3.812266      0.344555      8.429981
  H      -4.115800      2.092993      8.574194
  H      -1.891205      0.621285      7.079277
  H      -1.700974      1.967822      8.232274
  C      -7.818914     -0.912139     -0.712224
  C      -6.878393     -0.485984      0.380711
  O      -5.988154      0.344865      0.183004
  C      -7.031144     -1.095767      1.733459
  C      -8.235847     -1.622666      2.228449
  C      -8.297298     -2.120768      3.528392
  C      -7.147057     -2.128747      4.314398
  F      -7.232892     -2.612119      5.569904
  C      -5.923715     -1.629656      3.851459
  C      -4.615380     -1.723199      4.578940
  O      -4.248103     -2.758548      5.140618
  N      -3.856878     -0.574920      4.472760
  C      -2.510535     -0.597596      4.512671
  C      -5.904843     -1.108599      2.558783
  C      -8.934500     10.585537      0.279872
  C      -8.162059      9.287748      0.371219
  O      -8.395894      8.363304     -0.405044
  C      -7.122673      9.152244      1.434957
  C      -6.931070     10.121508      2.434389
  C      -5.975061      9.925684      3.426724
  C      -5.223893      8.752269      3.428828
  F      -4.296630      8.613630      4.400410
  C      -5.378058      7.759540      2.449448
  C      -4.650667      6.441903      2.411014
  O      -4.365745      5.949068      1.307307
  N      -4.446911      5.875564      3.650456
  C      -4.227377      4.566330      3.612994
  C      -6.324300      8.001653      1.450009
  C      -9.472946      3.693887     -0.917392
  C      -9.279372      2.720963      0.221881
  O      -9.677750      1.559532      0.133151
  C      -8.599841      3.200298      1.460568
  C      -8.310071      4.558922      1.676653
  C      -7.758865      4.977075      2.883617
  C      -7.453185      4.022623      3.846596
  F      -6.995656      4.454343      5.043380
  C      -7.661032      2.650146      3.646666
  C      -7.384654      1.662078      4.744203
  O      -8.295201      0.953209      5.190680
  N      -6.099585      1.687166      5.228950
  C      -5.846757      1.261408      6.500356
  C      -8.279955      2.267172      2.458047
  H      -8.841296     -0.585880     -0.470479
  H      -7.519373     -0.448990     -1.658730
  H      -7.829033     -2.008055     -0.805823
  H      -9.139190     -1.606945      1.617632
  H      -9.231322     -2.488474      3.953553
  H      -1.884803     -1.498522      4.531690
  H      -4.962723     -0.742484      2.158630
  H      -9.530162     10.743874      1.192382
  H      -8.257130     11.446748      0.181944
  H      -9.605985     10.542866     -0.584292
  H      -7.528089     11.033591      2.449914
  H      -5.799485     10.668221      4.205721
  H      -4.320852      4.053433      2.647695
  H      -6.455752      7.254624      0.665825
  H      -9.972993      3.182050     -1.746408
  H      -8.504585      4.093637     -1.254811
  H     -10.079574      4.555644     -0.601058
  H      -8.538883      5.306796      0.916848
  H      -7.573657      6.029684      3.096531
  H      -6.610239      0.943375      7.219657
  H      -8.526969      1.217300      2.302550
  N      -3.879556      1.603170      2.489044
  H      -3.292601      0.813641      2.191472
  H      -3.481142      2.435118      2.041846
  H      -4.790338      1.456291      2.030479
90
Coordinates from ORCA-job orca E -6670.668404848299
  N      -2.068635      0.640639      4.575146
  Mo     -3.857072      1.703042      4.753582
  N      -4.554508      1.320570      6.672071
  C      -3.776335      1.333258      7.884889
  C      -2.338367      1.575988      7.433080
  N      -2.316524      2.514260      6.267263
  C      -0.984424      2.470327      5.591597
  C      -0.752926      1.098476      4.948663
  C      -2.617980      3.931036      6.680936
  C      -3.873420      4.433772      5.984387
  N      -3.941892      3.803404      4.664476
  H      -0.089473      1.222712      4.076544
  H      -0.263880      0.390366      5.636924
  H      -1.014814      3.244733      4.813622
  H      -0.186083      2.728938      6.307408
  H      -4.775598      4.148986      6.548048
  H      -3.860795      5.530022      5.898196
  H      -2.726742      3.972734      7.773505
  H      -1.757727      4.559562      6.412111
  H      -3.833340      0.385248      8.445797
  H      -4.130955      2.136416      8.554227
  H      -1.904493      0.626101      7.100088
  H      -1.710580      1.976006      8.246557
  C      -7.865192     -0.857804     -0.716504
  C      -6.927224     -0.437650      0.380269
  O      -6.051535      0.411527      0.196081
  C      -7.065738     -1.069803      1.727775
  C      -8.256952     -1.624431      2.227085
  C      -8.300343     -2.133144      3.524830
  C      -7.142571     -2.132230      4.300237
  F      -7.208891     -2.626543      5.552381
  C      -5.930979     -1.614214      3.828200
  C      -4.619058     -1.716320      4.547482
  O      -4.257442     -2.756403      5.106574
  N      -3.856340     -0.571280      4.455452
  C      -2.510146     -0.601716      4.516971
  C      -5.931730     -1.076990      2.542021
  C      -8.965293     10.519245      0.302497
  C      -8.192859      9.222761      0.412029
  O      -8.442819      8.277777     -0.334189
  C      -7.133560      9.114243      1.457679
  C      -6.939536     10.094650      2.448933
  C      -5.967246      9.916294      3.427689
  C      -5.202852      8.752139      3.425968
  F      -4.264276      8.620039      4.389615
  C      -5.352305      7.755994      2.455190
  C      -4.598683      6.454687      2.411151
  O      -4.273746      5.982406      1.309073
  N      -4.427897      5.879615      3.649371
  C      -4.212305      4.572183      3.614835
  C      -6.319927      7.974587      1.469652
  C      -9.438192      3.661978     -0.944983
  C      -9.242112      2.699393      0.201331
  O      -9.591371      1.522339      0.104421
  C      -8.598703      3.199400      1.449015
  C      -8.329722      4.564092      1.660548
  C      -7.787791      4.990866      2.867987
  C      -7.470546      4.044558      3.834722
  F      -6.978932      4.484947      5.015784
  C      -7.684300      2.671230      3.651186
  C      -7.409589      1.692790      4.758565
  O      -8.327480      1.006744      5.223607
  N      -6.114354      1.693922      5.222430
  C      -5.851308      1.279980      6.493953
  C      -8.288860      2.276635      2.458582
  H      -8.891643     -0.560297     -0.456154
  H      -7.576456     -0.370780     -1.654283
  H      -7.857268     -1.951530     -0.833873
  H      -9.163775     -1.614735      1.622742
  H      -9.222881     -2.524524      3.953571
  H      -1.892663     -1.508408      4.540282
  H      -5.001482     -0.687719      2.136274
  H      -9.536247     10.705143      1.225433
  H      -8.286454     11.373909      0.165623
  H      -9.657500     10.454134     -0.543641
  H      -7.543163     11.002400      2.458718
  H      -5.786945     10.666974      4.197915
  H      -4.297113      4.059106      2.649491
  H      -6.440889      7.224280      0.686636
  H      -9.894648      3.130538     -1.786815
  H      -8.475706      4.096038     -1.255836
  H     -10.083572      4.501890     -0.646308
  H      -8.567299      5.307489      0.899023
  H      -7.606539      6.046057      3.070662
  H      -6.612063      0.974393      7.221651
  H      -8.526612      1.224435      2.304459
  N      -3.857416      1.607269      2.477141
  H      -3.281052      0.809308      2.182512
  H      -3.446582      2.435709      2.034714
  H      -4.773612      1.476920      2.023320
90
Coordinates from ORCA-job orca E -6670.668876201070
  N      -2.079731      0.641392      4.548985
  Mo     -3.869837      1.698996      4.746043
  N      -4.549434      1.303818      6.668427
  C      -3.762839      1.307420      7.875218
  C      -2.329490      1.560067      7.413246
  N      -2.320710      2.505332      6.252586
  C      -0.993969      2.469692      5.565074
  C      -0.762142      1.101704      4.913221
  C      -2.622762      3.920021      6.675844
  C      -3.878827      4.426832      5.982263
  N      -3.951691      3.800360      4.660713
  H      -0.106134      1.232312      4.036359
  H      -0.264330      0.392354      5.594016
  H      -1.035124      3.247609      4.791192
  H      -0.189849      2.728882      6.274387
  H      -4.779740      4.140174      6.546701
  H      -3.865503      5.523332      5.899178
  H      -2.732398      3.954731      7.768527
  H      -1.762313      4.549962      6.411580
  H      -3.812013      0.353978      8.427322
  H      -4.115110      2.103121      8.554627
  H      -1.893781      0.614364      7.070954
  H      -1.697126      1.958565      8.223792
  C      -7.885030     -0.990155     -0.709111
  C      -6.958275     -0.518563      0.376212
  O      -6.080905      0.321344      0.162409
  C      -7.092741     -1.110395      1.742016
  C      -8.285128     -1.643092      2.260180
  C      -8.323887     -2.126559      3.567154
  C      -7.160994     -2.121266      4.334517
  F      -7.222597     -2.594825      5.595090
  C      -5.948218     -1.621606      3.845584
  C      -4.631255     -1.719023      4.556490
  O      -4.259855     -2.759886      5.106861
  N      -3.869800     -0.574675      4.447586
  C      -2.520063     -0.602189      4.492656
  C      -5.953366     -1.108058      2.549762
  C      -9.034030     10.457998      0.299949
  C      -8.242844      9.173201      0.414018
  O      -8.485163      8.219245     -0.323209
  C      -7.174309      9.086763      1.452590
  C      -6.984617     10.078482      2.432414
  C      -6.005448      9.919967      3.407799
  C      -5.229069      8.763289      3.413946
  F      -4.281268      8.656517      4.371108
  C      -5.374283      7.755244      2.452265
  C      -4.615529      6.455400      2.415815
  O      -4.278308      5.986535      1.316067
  N      -4.439520      5.880755      3.653725
  C      -4.223927      4.572283      3.614897
  C      -6.346307      7.957868      1.468072
  C      -9.248719      3.808009     -0.963864
  C      -9.124333      2.824673      0.175121
  O      -9.508591      1.661722      0.050616
  C      -8.517707      3.290601      1.454623
  C      -8.261440      4.649536      1.709358
  C      -7.764223      5.048966      2.945325
  C      -7.473566      4.079396      3.896809
  F      -7.033218      4.490288      5.108855
  C      -7.666946      2.709928      3.668403
  C      -7.406136      1.710375      4.761619
  O      -8.331808      1.032150      5.221215
  N      -6.112244      1.694345      5.226112
  C      -5.847803      1.266273      6.494537
  C      -8.232257      2.341985      2.448343
  H      -8.907720     -0.650242     -0.487960
  H      -7.571404     -0.568797     -1.670080
  H      -7.902193     -2.089083     -0.756207
  H      -9.195228     -1.641527      1.659914
  H      -9.246754     -2.501861      4.009545
  H      -1.900100     -1.507358      4.508892
  H      -5.021991     -0.737365      2.128888
  H      -9.599958     10.644777      1.225776
  H      -8.368202     11.320634      0.149118
  H      -9.732353     10.375845     -0.539615
  H      -7.600693     10.977795      2.439745
  H      -5.830399     10.679355      4.170613
  H      -4.315840      4.061716      2.647843
  H      -6.468169      7.196624      0.696583
  H      -9.676586      3.298782     -1.833851
  H      -8.265313      4.228629     -1.222749
  H      -9.891771      4.655586     -0.682159
  H      -8.475268      5.410317      0.957943
  H      -7.596966      6.099390      3.180664
  H      -6.607393      0.954843      7.220796
  H      -8.454316      1.292195      2.257524
  N      -3.891979      1.602144      2.471179
  H      -3.318995      0.803361      2.172713
  H      -3.485530      2.429077      2.022216
  H      -4.811142      1.470385      2.026352
90
Coordinates from ORCA-job orca E -6670.668945439402
  N      -2.083919      0.620026      4.555155
  Mo     -3.868386      1.686011      4.754864
  N      -4.538861      1.300809      6.679726
  C      -3.750175      1.311795      7.885354
  C      -2.317364      1.558770      7.416927
  N      -2.310070      2.494900      6.248626
  C      -0.986069      2.448388      5.555604
  C      -0.762895      1.075204      4.912986
  C      -2.600947      3.915467      6.660713
  C      -3.864531      4.419721      5.980594
  N      -3.954587      3.786316      4.664025
  H      -0.108009      1.195849      4.033920
  H      -0.267353      0.368756      5.598400
  H      -1.028722      3.221183      4.776995
  H      -0.177274      2.709629      6.259108
  H      -4.758119      4.135406      6.557805
  H      -3.851963      5.515675      5.891104
  H      -2.691038      3.965514      7.754595
  H      -1.742992      4.536749      6.370436
  H      -3.800263      0.362140      8.443418
  H      -4.098274      2.113426      8.559639
  H      -1.882732      0.609946      7.082107
  H      -1.683294      1.964388      8.222481
  C      -7.894420     -0.933481     -0.694716
  C      -6.955583     -0.485153      0.391210
  O      -6.062638      0.337906      0.178448
  C      -7.093665     -1.089188      1.749438
  C      -8.290711     -1.617719      2.259116
  C      -8.336630     -2.114452      3.560097
  C      -7.177257     -2.121938      4.332162
  F      -7.247516     -2.606003      5.588169
  C      -5.959029     -1.624792      3.852867
  C      -4.643650     -1.727444      4.565725
  O      -4.276031     -2.770684      5.112825
  N      -3.876582     -0.585952      4.455545
  C      -2.530396     -0.622146      4.498999
  C      -5.956387     -1.102222      2.561085
  C      -9.059659     10.402529      0.245863
  C      -8.258919      9.124682      0.368069
  O      -8.474192      8.174769     -0.382669
  C      -7.203872      9.044132      1.421751
  C      -7.039426     10.032084      2.408063
  C      -6.070619      9.882221      3.395669
  C      -5.279145      8.735528      3.405940
  F      -4.342111      8.639418      4.374028
  C      -5.403972      7.727028      2.438976
  C      -4.633459      6.432911      2.413124
  O      -4.295370      5.957495      1.317660
  N      -4.454644      5.862300      3.653537
  C      -4.235477      4.553115      3.616239
  C      -6.362008      7.925589      1.441238
  C      -9.205792      3.902406     -0.941159
  C      -9.083350      2.893428      0.176178
  O      -9.471694      1.735205      0.026383
  C      -8.481435      3.333768      1.468458
  C      -8.241078      4.688497      1.753883
  C      -7.756786      5.068395      3.001417
  C      -7.464467      4.081727      3.935006
  F      -7.058423      4.473180      5.165591
  C      -7.630686      2.714823      3.671699
  C      -7.372065      1.696896      4.748864
  O      -8.296500      1.003950      5.189509
  N      -6.085709      1.685521      5.227383
  C      -5.835327      1.262458      6.500988
  C      -8.182459      2.365832      2.440001
  H      -8.905985     -0.560106     -0.477131
  H      -7.569672     -0.521301     -1.655882
  H      -7.943312     -2.031293     -0.740928
  H      -9.200015     -1.607194      1.656843
  H      -9.265045     -2.484843      3.994927
  H      -1.915653     -1.530659      4.516480
  H      -5.019815     -0.736214      2.147612
  H      -9.642723     10.580752      1.162690
  H      -8.399214     11.271763      0.109115
  H      -9.743509     10.318673     -0.605339
  H      -7.670182     10.921188      2.416761
  H      -5.916621     10.638832      4.165614
  H      -4.333635      4.038596      2.651414
  H      -6.469444      7.165580      0.666898
  H      -9.625466      3.411182     -1.825308
  H      -8.223674      4.335173     -1.184063
  H      -9.856086      4.739520     -0.645334
  H      -8.459679      5.461509      1.016235
  H      -7.605991      6.114661      3.263329
  H      -6.600716      0.957189      7.223907
  H      -8.390403      1.317950      2.224986
  N      -3.886216      1.597484      2.480150
  H      -3.317291      0.796489      2.180307
  H      -3.474796      2.423361      2.033993
  H      -4.804722      1.472105      2.033353
90
Coordinates from ORCA-job orca E -6670.669088673676
  N      -2.074330      0.631707      4.548774
  Mo     -3.864906      1.687719      4.742214
  N      -4.547257      1.288822      6.659623
  C      -3.766883      1.298875      7.870373
  C      -2.332302      1.552336      7.412941
  N      -2.319456      2.497190      6.252217
  C      -0.991027      2.460273      5.567758
  C      -0.757496      1.091856      4.917367
  C      -2.623308      3.913090      6.670003
  C      -3.884966      4.413029      5.981319
  N      -3.956667      3.788397      4.658953
  H      -0.098401      1.221798      4.042865
  H      -0.262837      0.383256      5.601099
  H      -1.030764      3.237820      4.793812
  H      -0.187839      2.719614      6.278374
  H      -4.782391      4.118772      6.547799
  H      -3.879077      5.509649      5.899836
  H      -2.723722      3.956261      7.763399
  H      -1.767345      4.543031      6.392436
  H      -3.817315      0.348354      8.427118
  H      -4.122788      2.098165      8.543450
  H      -1.893505      0.607050      7.073397
  H      -1.704332      1.951935      8.226432
  C      -7.943242     -0.963760     -0.666875
  C      -6.990098     -0.511622      0.404721
  O      -6.109954      0.322417      0.181712
  C      -7.110025     -1.110101      1.767960
  C      -8.295527     -1.648613      2.293722
  C      -8.319597     -2.147867      3.594530
  C      -7.149865     -2.145919      4.350758
  F      -7.198557     -2.630971      5.607507
  C      -5.942730     -1.637964      3.854953
  C      -4.618253     -1.733565      4.551149
  O      -4.239515     -2.774437      5.096291
  N      -3.861907     -0.585856      4.439050
  C      -2.513559     -0.612752      4.491297
  C      -5.961809     -1.113130      2.564414
  C      -9.075279     10.352582      0.249530
  C      -8.261738      9.083621      0.379379
  O      -8.484552      8.117313     -0.348156
  C      -7.195728      9.025896      1.423305
  C      -7.038338     10.020050      2.405195
  C      -6.063342      9.885507      3.388884
  C      -5.258837      8.747986      3.399138
  F      -4.320222      8.659840      4.367236
  C      -5.373686      7.736872      2.435335
  C      -4.587249      6.452509      2.414611
  O      -4.209011      5.995772      1.324471
  N      -4.438557      5.871341      3.653085
  C      -4.222188      4.562193      3.613112
  C      -6.338019      7.919473      1.440964
  C      -9.182522      3.970641     -0.951824
  C      -9.055512      2.946428      0.151011
  O      -9.431153      1.786471     -0.017354
  C      -8.469308      3.375367      1.453995
  C      -8.241137      4.728698      1.757953
  C      -7.763387      5.095173      3.011939
  C      -7.470262      4.098234      3.934482
  F      -7.062171      4.475801      5.169008
  C      -7.631083      2.734152      3.655942
  C      -7.375546      1.706489      4.724958
  O      -8.304237      1.018778      5.164000
  N      -6.088199      1.683906      5.202609
  C      -5.843121      1.252321      6.474309
  C      -8.172545      2.397565      2.415958
  H      -8.960049     -0.624683     -0.419182
  H      -7.650451     -0.528291     -1.628031
  H      -7.961377     -2.061717     -0.731830
  H      -9.212009     -1.648599      1.702346
  H      -9.237424     -2.531752      4.040128
  H      -1.893709     -1.517581      4.515149
  H      -5.034777     -0.738725      2.136424
  H      -9.646298     10.539700      1.172148
  H      -8.423245     11.224498      0.091384
  H      -9.770432     10.250415     -0.590387
  H      -7.681564     10.900194      2.412978
  H      -5.916354     10.645883      4.156467
  H      -4.308908      4.051129      2.645745
  H      -6.437645      7.156402      0.668789
  H      -9.585517      3.486872     -1.847746
  H      -8.204410      4.421223     -1.178090
  H      -9.847570      4.794056     -0.650157
  H      -8.458200      5.509226      1.027723
  H      -7.613906      6.139123      3.285869
  H      -6.611585      0.942252      7.191825
  H      -8.373941      1.351777      2.185363
  N      -3.891867      1.590698      2.467801
  H      -3.329073      0.784906      2.169307
  H      -3.479918      2.412812      2.015481
  H      -4.816136      1.467429      2.032541
90
Coordinates from ORCA-job orca E -6670.669173642539
  N      -2.066686      0.626014      4.556635
  Mo     -3.855809      1.683509      4.735413
  N      -4.549383      1.281117      6.649150
  C      -3.774295      1.294839      7.863699
  C      -2.338106      1.547717      7.413208
  N      -2.318090      2.494362      6.253649
  C      -0.986110      2.456013      5.576824
  C      -0.750871      1.086332      4.928103
  C      -2.625773      3.909910      6.670208
  C      -3.888866      4.405155      5.979395
  N      -3.951633      3.783612      4.655417
  H      -0.089565      1.214805      4.055062
  H      -0.257640      0.378024      5.613186
  H      -1.019426      3.233233      4.802209
  H      -0.185721      2.713877      6.291114
  H      -4.786243      4.103571      6.541983
  H      -3.888213      5.502036      5.901203
  H      -2.727465      3.953305      7.763504
  H      -1.771436      4.542530      6.393714
  H      -3.826934      0.346537      8.424161
  H      -4.133612      2.096452      8.532256
  H      -1.899257      0.602428      7.074062
  H      -1.713680      1.944828      8.230729
  C      -7.975382     -0.940274     -0.660624
  C      -6.994958     -0.511300      0.396481
  O      -6.091030      0.291748      0.156037
  C      -7.116712     -1.097092      1.765316
  C      -8.306315     -1.613773      2.303251
  C      -8.329651     -2.100342      3.608993
  C      -7.154912     -2.111338      4.357314
  F      -7.202761     -2.583297      5.619139
  C      -5.943887     -1.625436      3.849675
  C      -4.616805     -1.733234      4.539382
  O      -4.239532     -2.780660      5.073573
  N      -3.857411     -0.587964      4.430327
  C      -2.505835     -0.617453      4.489474
  C      -5.963730     -1.110783      2.555002
  C      -9.127252     10.263878      0.259135
  C      -8.304133      9.002689      0.400862
  O      -8.532329      8.020537     -0.303972
  C      -7.222084      8.971275      1.428455
  C      -7.066506      9.975092      2.401482
  C      -6.077109      9.862028      3.373470
  C      -5.256795      8.736161      3.380814
  F      -4.303872      8.663832      4.336705
  C      -5.367912      7.718783      2.424942
  C      -4.559790      6.448577      2.407777
  O      -4.154666      6.003712      1.322182
  N      -4.424200      5.866523      3.646366
  C      -4.208153      4.558488      3.608727
  C      -6.347793      7.877620      1.442431
  C      -9.118276      4.026126     -0.959743
  C      -9.022095      2.994965      0.140041
  O      -9.395611      1.837104     -0.043257
  C      -8.454932      3.412565      1.455595
  C      -8.227929      4.763541      1.771692
  C      -7.754435      5.119345      3.030152
  C      -7.466601      4.114394      3.945021
  F      -7.045357      4.480000      5.179759
  C      -7.638666      2.753600      3.659462
  C      -7.387435      1.722592      4.726846
  O      -8.322554      1.050730      5.175966
  N      -6.095954      1.684005      5.194430
  C      -5.846514      1.251445      6.464889
  C      -8.172188      2.427083      2.413566
  H      -8.972955     -0.547719     -0.414833
  H      -7.670059     -0.535562     -1.631244
  H      -8.045941     -2.036981     -0.705108
  H      -9.227668     -1.603736      1.720221
  H      -9.250845     -2.463304      4.064689
  H      -1.887569     -1.523284      4.514751
  H      -5.035244     -0.751002      2.117536
  H      -9.691001     10.461377      1.184071
  H      -8.481833     11.137054      0.082365
  H      -9.829715     10.144261     -0.572369
  H      -7.722186     10.846100      2.409831
  H      -5.931223     10.630532      4.133158
  H      -4.291118      4.045640      2.641853
  H      -6.444446      7.108293      0.675399
  H      -9.494580      3.548166     -1.870319
  H      -8.135669      4.481584     -1.155006
  H      -9.793550      4.845876     -0.671058
  H      -8.437371      5.549990      1.045512
  H      -7.597843      6.160409      3.309815
  H      -6.614282      0.945742      7.184826
  H      -8.373849      1.383841      2.172161
  N      -3.866860      1.585265      2.460070
  H      -3.305857      0.775994      2.167898
  H      -3.449573      2.404767      2.008007
  H      -4.790733      1.464079      2.023629
90
Coordinates from ORCA-job orca E -6670.669224961441
  N      -2.055819      0.626876      4.555869
  Mo     -3.843834      1.689887      4.726859
  N      -4.557974      1.286524      6.631778
  C      -3.795001      1.301863      7.854464
  C      -2.352690      1.546523      7.418839
  N      -2.316215      2.492044      6.259981
  C      -0.977979      2.447728      5.595962
  C      -0.742249      1.078669      4.947027
  C      -2.620524      3.909257      6.672856
  C      -3.883067      4.404912      5.982863
  N      -3.940508      3.789304      4.655954
  H      -0.068099      1.205320      4.083695
  H      -0.262853      0.365677      5.637057
  H      -1.000115      3.225430      4.821393
  H      -0.182918      2.701297      6.317656
  H      -4.780764      4.098694      6.542164
  H      -3.883737      5.502203      5.910439
  H      -2.717363      3.957943      7.766424
  H      -1.766344      4.538869      6.388683
  H      -3.858700      0.356436      8.418490
  H      -4.157522      2.109061      8.514698
  H      -1.914404      0.599237      7.084718
  H      -1.735280      1.940953      8.243076
  C      -8.020530     -0.944368     -0.629554
  C      -7.024954     -0.516923      0.414499
  O      -6.121838      0.283559      0.162339
  C      -7.130268     -1.104636      1.783299
  C      -8.310089     -1.635259      2.329315
  C      -8.316729     -2.129162      3.632281
  C      -7.136083     -2.131943      4.370785
  F      -7.169022     -2.612398      5.630228
  C      -5.934018     -1.632451      3.855704
  C      -4.600432     -1.731823      4.533947
  O      -4.215124     -2.775477      5.070135
  N      -3.845943     -0.584252      4.416429
  C      -2.497670     -0.615319      4.487781
  C      -5.970661     -1.111339      2.563601
  C      -9.143575     10.223052      0.274750
  C      -8.316015      8.966747      0.429632
  O      -8.544243      7.973625     -0.260076
  C      -7.220126      8.956521      1.442621
  C      -7.070333      9.962875      2.413455
  C      -6.073163      9.862987      3.379333
  C      -5.240233      8.746429      3.382489
  F      -4.281022      8.684082      4.332468
  C      -5.344382      7.728170      2.426576
  C      -4.523775      6.465890      2.411588
  O      -4.099303      6.030203      1.330228
  N      -4.405223      5.875395      3.647414
  C      -4.187681      4.568023      3.608047
  C      -6.329923      7.875312      1.449003
  C      -9.124202      4.061828     -0.984245
  C      -9.008568      3.019839      0.103609
  O      -9.371365      1.860104     -0.088990
  C      -8.444622      3.432038      1.422250
  C      -8.228152      4.782427      1.747437
  C      -7.761513      5.133336      3.010001
  C      -7.471470      4.124541      3.919762
  F      -7.064902      4.486291      5.160631
  C      -7.631259      2.764279      3.624528
  C      -7.383188      1.731129      4.690514
  O      -8.319703      1.055904      5.132155
  N      -6.093996      1.691665      5.165013
  C      -5.853880      1.257733      6.436442
  C      -8.158284      2.442430      2.374606
  H      -9.026689     -0.599137     -0.349132
  H      -7.754040     -0.502218     -1.595252
  H      -8.051281     -2.041510     -0.705644
  H      -9.236554     -1.632876      1.754548
  H      -9.230177     -2.504576      4.093167
  H      -1.884847     -1.524332      4.525692
  H      -5.048696     -0.741627      2.119988
  H      -9.699877     10.434562      1.201009
  H      -8.501051     11.094382      0.078872
  H      -9.852885     10.089036     -0.548677
  H      -7.738348     10.824398      2.427260
  H      -5.932495     10.633353      4.138073
  H      -4.261297      4.057775      2.639491
  H      -6.421870      7.105861      0.682072
  H      -9.499686      3.588943     -1.897835
  H      -8.149217      4.532831     -1.180284
  H      -9.808319      4.869596     -0.682784
  H      -8.441198      5.571654      1.024917
  H      -7.611639      6.173134      3.297735
  H      -6.627228      0.950188      7.149628
  H      -8.354791      1.399795      2.126370
  N      -3.863836      1.593893      2.453252
  H      -3.304468      0.786075      2.154375
  H      -3.452343      2.415702      2.000400
  H      -4.792590      1.472408      2.027652
90
Coordinates from ORCA-job orca E -6670.669247388587
  N      -2.055141      0.619717      4.563761
  Mo     -3.841102      1.680861      4.737612
  N      -4.550834      1.273355      6.641558
  C      -3.788054      1.290073      7.864398
  C      -2.346837      1.539843      7.426415
  N      -2.314193      2.484965      6.266482
  C      -0.976663      2.442384      5.599630
  C      -0.740787      1.074158      4.949151
  C      -2.618288      3.902836      6.678554
  C      -3.885466      4.395388      5.994987
  N      -3.947388      3.780667      4.667958
  H      -0.070884      1.202749      4.082908
  H      -0.257580      0.362290      5.637573
  H      -1.003158      3.221268      4.826484
  H      -0.180935      2.697322      6.320034
  H      -4.779169      4.085503      6.558552
  H      -3.890478      5.492774      5.923773
  H      -2.707608      3.954113      7.772632
  H      -1.766970      4.532058      6.385500
  H      -3.848428      0.343646      8.426917
  H      -4.152546      2.095254      8.525768
  H      -1.906643      0.593899      7.090902
  H      -1.729268      1.936462      8.249402
  C      -8.033563     -0.908636     -0.626454
  C      -7.015811     -0.507970      0.407019
  O      -6.099227      0.274151      0.147119
  C      -7.121911     -1.096035      1.775014
  C      -8.306589     -1.618771      2.318304
  C      -8.319626     -2.113941      3.620582
  C      -7.140594     -2.123713      4.360946
  F      -7.178124     -2.605174      5.620169
  C      -5.934375     -1.630400      3.849389
  C      -4.602708     -1.735438      4.530740
  O      -4.221490     -2.782500      5.062667
  N      -3.844990     -0.589337      4.420291
  C      -2.496131     -0.622856      4.490509
  C      -5.963852     -1.108298      2.557562
  C      -9.160025     10.157077      0.223466
  C      -8.322726      8.909687      0.393766
  O      -8.549257      7.902744     -0.276371
  C      -7.228791      8.918766      1.408964
  C      -7.089781      9.935778      2.369158
  C      -6.096721      9.852522      3.341416
  C      -5.256817      8.741142      3.360419
  F      -4.302863      8.695404      4.315914
  C      -5.351692      7.711054      2.414814
  C      -4.528860      6.450052      2.417279
  O      -4.098192      6.005301      1.342445
  N      -4.413909      5.866829      3.657801
  C      -4.191799      4.559284      3.620264
  C      -6.332653      7.842406      1.430910
  C      -9.129532      4.151881     -0.947393
  C      -8.989664      3.084360      0.112690
  O      -9.341273      1.925841     -0.104508
  C      -8.425494      3.472650      1.438975
  C      -8.227668      4.817829      1.793673
  C      -7.764917      5.147370      3.063489
  C      -7.459461      4.123060      3.950293
  F      -7.056209      4.464222      5.198113
  C      -7.601392      2.766968      3.625768
  C      -7.353646      1.716450      4.675579
  O      -8.289287      1.027333      5.097805
  N      -6.071731      1.682628      5.167104
  C      -5.845005      1.243703      6.439803
  C      -8.122948      2.465508      2.368490
  H      -9.019493     -0.508476     -0.346895
  H      -7.754163     -0.490409     -1.599131
  H      -8.117001     -2.003819     -0.686431
  H      -9.232925     -1.609550      1.743101
  H      -9.237441     -2.481029      4.079525
  H      -1.882554     -1.531245      4.525987
  H      -5.039062     -0.741739      2.116779
  H      -9.719547     10.373668      1.146683
  H      -8.525443     11.032027      0.018356
  H      -9.867640     10.008206     -0.598898
  H      -7.763337     10.793064      2.372677
  H      -5.965233     10.631595      4.092787
  H      -4.262502      4.048547      2.651943
  H      -6.420559      7.062859      0.673993
  H      -9.501894      3.695213     -1.870497
  H      -8.165463      4.647091     -1.136068
  H      -9.827475      4.938558     -0.622622
  H      -8.454931      5.619965      1.089396
  H      -7.630889      6.181999      3.375851
  H      -6.624184      0.935647      7.146412
  H      -8.307455      1.426319      2.097481
  N      -3.857217      1.589061      2.463098
  H      -3.307882      0.773845      2.164981
  H      -3.436791      2.404752      2.007407
  H      -4.786038      1.476422      2.037021
90
Coordinates from ORCA-job orca E -6670.669284654311
  N      -2.058186      0.634117      4.552264
  Mo     -3.848796      1.685601      4.735610
  N      -4.550947      1.273381      6.642339
  C      -3.782089      1.287308      7.861457
  C      -2.344087      1.545647      7.418009
  N      -2.322491      2.493548      6.259860
  C      -0.987421      2.461374      5.587767
  C      -0.745256      1.096353      4.932976
  C      -2.632885      3.908799      6.677593
  C      -3.899336      4.400451      5.991811
  N      -3.960378      3.785704      4.665029
  H      -0.080301      1.231699      4.063889
  H      -0.253669      0.385847      5.616919
  H      -1.021727      3.241760      4.816393
  H      -0.190547      2.719781      6.305675
  H      -4.793571      4.090032      6.554297
  H      -3.904789      5.497880      5.920657
  H      -2.727580      3.953433      7.771437
  H      -1.782104      4.542310      6.392504
  H      -3.835631      0.337660      8.419224
  H      -4.146816      2.087423      8.528784
  H      -1.900172      0.602735      7.078622
  H      -1.725044      1.944232      8.238818
  C      -8.025423     -0.951536     -0.628051
  C      -7.015153     -0.534745      0.405862
  O      -6.103062      0.251524      0.142284
  C      -7.118694     -1.115584      1.777444
  C      -8.300899     -1.640886      2.323854
  C      -8.311037     -2.130189      3.628247
  C      -7.131550     -2.131239      4.368193
  F      -7.166419     -2.606883      5.629752
  C      -5.927850     -1.635122      3.853917
  C      -4.595038     -1.733407      4.534316
  O      -4.208486     -2.778212      5.066768
  N      -3.842215     -0.584356      4.420402
  C      -2.492887     -0.610925      4.482310
  C      -5.960125     -1.119991      2.559300
  C      -9.109826     10.272595      0.243293
  C      -8.297957      9.006846      0.402323
  O      -8.535019      8.016212     -0.288039
  C      -7.213608      8.980031      1.427247
  C      -7.059759      9.984832      2.398154
  C      -6.072353      9.873483      3.373132
  C      -5.252118      8.747554      3.383807
  F      -4.300609      8.677088      4.340389
  C      -5.363289      7.727549      2.429083
  C      -4.557042      6.455686      2.417387
  O      -4.149377      6.007382      1.334569
  N      -4.431021      5.870497      3.656227
  C      -4.209213      4.562821      3.617630
  C      -6.339682      7.885413      1.444196
  C      -9.134029      4.059031     -0.967873
  C      -9.005706      3.011696      0.113175
  O      -9.363492      1.851311     -0.083900
  C      -8.437427      3.419763      1.431949
  C      -8.229136      4.769459      1.763491
  C      -7.764417      5.117454      3.027810
  C      -7.467274      4.106428      3.932639
  F      -7.069281      4.465653      5.176930
  C      -7.615634      2.745904      3.629542
  C      -7.367137      1.709748      4.692736
  O      -8.302662      1.029253      5.128711
  N      -6.082029      1.677601      5.176079
  C      -5.846284      1.242305      6.447936
  C      -8.140214      2.426689      2.377987
  H      -9.016772     -0.561856     -0.353600
  H      -7.748019     -0.535038     -1.602082
  H      -8.095560     -2.047937     -0.682827
  H      -9.227262     -1.639295      1.748595
  H      -9.226502     -2.500624      4.089062
  H      -1.874730     -1.516367      4.514834
  H      -5.036834     -0.753600      2.115688
  H      -9.678208     10.482728      1.162636
  H      -8.457161     11.139514      0.062509
  H      -9.808776     10.151005     -0.590913
  H      -7.715371     10.855873      2.405845
  H      -5.928562     10.643435      4.131675
  H      -4.282434      4.051863      2.649403
  H      -6.438435      7.115276      0.679071
  H      -9.510610      3.588227     -1.882109
  H      -8.164764      4.540476     -1.165563
  H      -9.823798      4.858915     -0.658510
  H      -8.450029      5.561106      1.045695
  H      -7.625167      6.156419      3.323309
  H      -6.620456      0.931968      7.159068
  H      -8.329521      1.383792      2.124633
  N      -3.878581      1.591058      2.462645
  H      -3.323980      0.780562      2.161401
  H      -3.468232      2.409710      2.002965
  H      -4.808821      1.470070      2.041303
90
Coordinates from ORCA-job orca E -6670.669283441603
  N      -2.058876      0.638466      4.537024
  Mo     -3.852242      1.687675      4.726195
  N      -4.551289      1.269811      6.634289
  C      -3.779930      1.285169      7.851783
  C      -2.342836      1.546123      7.407183
  N      -2.323652      2.494860      6.249762
  C      -0.989148      2.463951      5.576657
  C      -0.746497      1.099779      4.920552
  C      -2.634599      3.909305      6.669876
  C      -3.903859      4.399905      5.988589
  N      -3.966256      3.787745      4.660867
  H      -0.080188      1.236173      4.052595
  H      -0.255740      0.387856      5.603703
  H      -1.023405      3.244556      4.805405
  H      -0.191987      2.721873      6.294430
  H      -4.796145      4.086851      6.552625
  H      -3.911238      5.497544      5.919843
  H      -2.726512      3.952099      7.764069
  H      -1.785561      4.544898      6.384061
  H      -3.830271      0.335261      8.409535
  H      -4.145628      2.084239      8.519927
  H      -1.897687      0.603976      7.067180
  H      -1.723568      1.944957      8.227665
  C      -8.064172     -1.018855     -0.617533
  C      -7.050654     -0.581189      0.404318
  O      -6.142836      0.203957      0.123962
  C      -7.142637     -1.142538      1.785806
  C      -8.318602     -1.664058      2.349505
  C      -8.315663     -2.137377      3.660048
  C      -7.128836     -2.128755      4.388297
  F      -7.150675     -2.589776      5.655700
  C      -5.931057     -1.637218      3.856593
  C      -4.592565     -1.731725      4.526441
  O      -4.200639     -2.775636      5.057182
  N      -3.842394     -0.582032      4.406257
  C      -2.492626     -0.606341      4.465827
  C      -5.976791     -1.136140      2.556729
  C      -9.128309     10.269367      0.249779
  C      -8.319189      9.002280      0.412697
  O      -8.554842      8.011831     -0.278544
  C      -7.233968      8.976950      1.436402
  C      -7.081286      9.981177      2.408835
  C      -6.092997      9.870038      3.382706
  C      -5.270294      8.746070      3.390977
  F      -4.318244      8.674466      4.347318
  C      -5.378310      7.728741      2.434186
  C      -4.567429      6.460243      2.417470
  O      -4.156963      6.017848      1.332800
  N      -4.441582      5.872707      3.654828
  C      -4.218894      4.565699      3.614885
  C      -6.356868      7.884969      1.450793
  C      -9.017999      4.101252     -0.987657
  C      -8.927091      3.049809      0.092757
  O      -9.280862      1.890864     -0.120031
  C      -8.392935      3.449486      1.428110
  C      -8.195402      4.797264      1.774604
  C      -7.757115      5.135926      3.050889
  C      -7.474626      4.118449      3.952793
  F      -7.091915      4.467150      5.205283
  C      -7.617094      2.760340      3.637021
  C      -7.379227      1.720631      4.699239
  O      -8.320686      1.050839      5.137926
  N      -6.091619      1.674227      5.175311
  C      -5.848037      1.238034      6.445118
  C      -8.115610      2.449391      2.372946
  H      -9.055090     -0.626583     -0.345765
  H      -7.791183     -0.620123     -1.600131
  H      -8.133200     -2.116147     -0.651338
  H      -9.249255     -1.672143      1.781624
  H      -9.225422     -2.505555      4.134015
  H      -1.875243     -1.512446      4.497917
  H      -5.058748     -0.773396      2.099235
  H      -9.698911     10.481698      1.167234
  H      -8.473186     11.134697      0.070293
  H      -9.824962     10.147875     -0.586356
  H      -7.738024     10.851380      2.416918
  H      -5.950188     10.639176      4.142322
  H      -4.291668      4.056090      2.645714
  H      -6.452399      7.116141      0.683722
  H      -9.364945      3.634798     -1.915723
  H      -8.042388      4.582854     -1.151045
  H      -9.716841      4.900424     -0.697004
  H      -8.402307      5.594236      1.058750
  H      -7.623394      6.173067      3.355660
  H      -6.618326      0.925990      7.159662
  H      -8.295576      1.408101      2.106469
  N      -3.897953      1.593057      2.453630
  H      -3.343192      0.784950      2.146813
  H      -3.495556      2.413861      1.990707
  H      -4.832226      1.469640      2.042161
90
Coordinates from ORCA-job orca E -6670.669331354085
  N      -2.051423      0.639897      4.545023
  Mo     -3.842365      1.691421      4.727345
  N      -4.553667      1.272136      6.629741
  C      -3.789128      1.284479      7.851806
  C      -2.349092      1.541929      7.415007
  N      -2.321832      2.492973      6.259548
  C      -0.983607      2.461397      5.593498
  C      -0.739932      1.098381      4.935436
  C      -2.632566      3.907585      6.680743
  C      -3.899494      4.399765      5.996142
  N      -3.954898      3.791739      4.666380
  H      -0.069494      1.235491      4.070825
  H      -0.253651      0.384181      5.619363
  H      -1.012869      3.243884      4.823963
  H      -0.189794      2.716677      6.315885
  H      -4.793816      4.083906      6.555488
  H      -3.907403      5.497594      5.931068
  H      -2.726747      3.949607      7.774762
  H      -1.782331      4.542313      6.396771
  H      -3.845352      0.334203      8.408295
  H      -4.156293      2.084095      8.518428
  H      -1.905186      0.599273      7.074802
  H      -1.732721      1.937293      8.239332
  C      -8.069363     -0.991805     -0.615705
  C      -7.042243     -0.571912      0.400374
  O      -6.125914      0.201501      0.115394
  C      -7.135417     -1.132780      1.781743
  C      -8.313557     -1.649250      2.345558
  C      -8.312652     -2.122414      3.656146
  C      -7.126026     -2.117636      4.384624
  F      -7.149903     -2.577735      5.652375
  C      -5.926273     -1.630322      3.853182
  C      -4.588405     -1.726992      4.523746
  O      -4.198346     -2.771610      5.054447
  N      -3.836905     -0.577937      4.405001
  C      -2.486493     -0.604376      4.470042
  C      -5.969777     -1.130098      2.552988
  C      -9.128324     10.239906      0.254194
  C      -8.308605      8.979999      0.419008
  O      -8.540585      7.984078     -0.265665
  C      -7.220988      8.966189      1.440411
  C      -7.075765      9.972805      2.411211
  C      -6.086618      9.870652      3.385416
  C      -5.255879      8.752646      3.395342
  F      -4.304035      8.688416      4.352323
  C      -5.355876      7.733735      2.439133
  C      -4.537646      6.469982      2.426230
  O      -4.115917      6.032108      1.344293
  N      -4.417989      5.880410      3.663204
  C      -4.196016      4.573350      3.620779
  C      -6.334719      7.881563      1.455069
  C      -9.087034      4.087345     -0.989388
  C      -8.969950      3.036496      0.089353
  O      -9.321377      1.875726     -0.116745
  C      -8.417158      3.440543      1.415856
  C      -8.213463      4.789445      1.754057
  C      -7.757883      5.132854      3.022908
  C      -7.467108      4.118735      3.926123
  F      -7.070006      4.472726      5.172381
  C      -7.615185      2.759386      3.618367
  C      -7.371750      1.722607      4.682294
  O      -8.311091      1.048700      5.120026
  N      -6.085667      1.682415      5.163245
  C      -5.849135      1.242696      6.433278
  C      -8.128723      2.444128      2.361257
  H      -9.053727     -0.589275     -0.335276
  H      -7.799239     -0.591247     -1.598360
  H      -8.151609     -2.088029     -0.654667
  H      -9.244779     -1.653432      1.778522
  H      -9.224167     -2.486191      4.130217
  H      -1.870970     -1.511531      4.505851
  H      -5.050526     -0.770283      2.095564
  H      -9.701248     10.447972      1.171241
  H      -8.481028     11.110896      0.073956
  H      -9.823927     10.111347     -0.581770
  H      -7.739994     10.837333      2.419285
  H      -5.950574     10.641510      4.144500
  H      -4.262083      4.066146      2.649696
  H      -6.425475      7.111105      0.688963
  H      -9.449017      3.618690     -1.910549
  H      -8.117434      4.574376     -1.171524
  H      -9.784653      4.882781     -0.685708
  H      -8.428666      5.583746      1.037693
  H      -7.618906      6.171037      3.321901
  H      -6.623600      0.930533      7.143205
  H      -8.314788      1.402116      2.102112
  N      -3.883188      1.597384      2.455253
  H      -3.334233      0.785061      2.148947
  H      -3.475366      2.414821      1.991134
  H      -4.818217      1.479728      2.044158
90
Coordinates from ORCA-job orca E -6670.669361569518
  N      -2.050281      0.649574      4.537407
  Mo     -3.844088      1.693275      4.727246
  N      -4.552978      1.265757      6.628212
  C      -3.787449      1.275651      7.849715
  C      -2.348839      1.540417      7.411943
  N      -2.327321      2.495257      6.259352
  C      -0.989346      2.472009      5.591571
  C      -0.740187      1.112748      4.927677
  C      -2.643275      3.907652      6.685558
  C      -3.912067      4.397645      6.002598
  N      -3.965488      3.793731      4.670899
  H      -0.071939      1.256673      4.062535
  H      -0.249731      0.398108      5.608063
  H      -1.023588      3.257479      4.825354
  H      -0.196204      2.728470      6.314218
  H      -4.805110      4.076659      6.561078
  H      -3.924056      5.495642      5.941365
  H      -2.737205      3.945767      7.779734
  H      -1.795364      4.546062      6.402987
  H      -3.839617      0.322581      8.401761
  H      -4.156909      2.070880      8.520185
  H      -1.901638      0.600792      7.067649
  H      -1.732898      1.935708      8.236592
  C      -8.096630     -1.025714     -0.603181
  C      -7.056754     -0.603431      0.399028
  O      -6.139317      0.162491      0.098623
  C      -7.139476     -1.153440      1.785408
  C      -8.313403     -1.669730      2.358022
  C      -8.305326     -2.134978      3.671240
  C      -7.115417     -2.121675      4.393808
  F      -7.131370     -2.574600      5.664481
  C      -5.919498     -1.634316      3.853942
  C      -4.578688     -1.725536      4.519611
  O      -4.183792     -2.768932      5.049111
  N      -3.831268     -0.574275      4.399103
  C      -2.480831     -0.596426      4.461775
  C      -5.969967     -1.141648      2.550996
  C      -9.113380     10.267707      0.251665
  C      -8.298989      9.004555      0.417409
  O      -8.534632      8.009306     -0.266975
  C      -7.214486      8.985219      1.442105
  C      -7.068627      9.989840      2.414509
  C      -6.083244      9.882487      3.392122
  C      -5.257021      8.761076      3.403640
  F      -4.308981      8.692490      4.363861
  C      -5.358498      7.743109      2.446036
  C      -4.546687      6.475009      2.433736
  O      -4.129810      6.033793      1.351390
  N      -4.427996      5.884439      3.670666
  C      -4.203834      4.577352      3.626338
  C      -6.333029      7.896693      1.458642
  C      -9.074859      4.089305     -0.997228
  C      -8.947474      3.034368      0.076427
  O      -9.290849      1.872062     -0.134161
  C      -8.399825      3.437708      1.405440
  C      -8.205510      4.786651      1.748211
  C      -7.757876      5.129312      3.020201
  C      -7.465897      4.114660      3.922400
  F      -7.080637      4.467895      5.172592
  C      -7.603766      2.755089      3.609791
  C      -7.363460      1.717308      4.673576
  O      -8.304053      1.042373      5.107228
  N      -6.080117      1.678533      5.160497
  C      -5.847886      1.235359      6.430154
  C      -8.108691      2.440277      2.349105
  H      -9.075804     -0.615319     -0.315558
  H      -7.835133     -0.632969     -1.591296
  H      -8.185056     -2.121721     -0.633687
  H      -9.247223     -1.680905      1.795309
  H      -9.213544     -2.498600      4.151478
  H      -1.862786     -1.501778      4.497584
  H      -5.054070     -0.781283      2.086643
  H      -9.692194     10.473114      1.165678
  H      -8.462967     11.137934      0.079497
  H      -9.803960     10.144452     -0.589258
  H      -7.729379     10.857020      2.422023
  H      -5.946967     10.651897      4.152610
  H      -4.265520      4.072251      2.654081
  H      -6.425160      7.127704      0.691540
  H      -9.433032      3.621478     -1.920285
  H      -8.110406      4.586957     -1.177494
  H      -9.780162      4.876386     -0.689422
  H      -8.422839      5.581820      1.033270
  H      -7.626998      6.167267      3.323253
  H      -6.623701      0.919789      7.137103
  H      -8.287468      1.397888      2.086014
  N      -3.900831      1.598695      2.456552
  H      -3.357148      0.784491      2.145565
  H      -3.496966      2.414309      1.985771
  H      -4.840103      1.481907      2.055856
90
Coordinates from ORCA-job orca E -6670.669431847187
  N      -2.045622      0.670185      4.518023
  Mo     -3.843362      1.701750      4.722761
  N      -4.550707      1.255740      6.620140
  C      -3.783753      1.260103      7.840986
  C      -2.347154      1.536225      7.403209
  N      -2.333641      2.499203      6.256856
  C      -0.995230      2.489540      5.588013
  C      -0.737922      1.137621      4.912304
  C      -2.656859      3.907588      6.694560
  C      -3.930227      4.394993      6.017685
  N      -3.979548      3.802344      4.681156
  H      -0.070960      1.293149      4.048232
  H      -0.243252      0.419658      5.586022
  H      -1.035205      3.281095      4.828389
  H      -0.203813      2.745515      6.312624
  H      -4.820133      4.062228      6.574280
  H      -3.950124      5.493406      5.966718
  H      -2.747942      3.937165      7.789223
  H      -1.813312      4.552402      6.413735
  H      -3.829840      0.301771      8.384360
  H      -4.157069      2.047286      8.518602
  H      -1.895223      0.601719      7.051180
  H      -1.732060      1.929597      8.229298
  C      -8.175403     -1.113863     -0.578969
  C      -7.097627     -0.691541      0.383035
  O      -6.171104      0.042601      0.036978
  C      -7.158369     -1.200397      1.786746
  C      -8.324943     -1.700206      2.388364
  C      -8.300205     -2.133072      3.712311
  C      -7.100471     -2.103324      4.417221
  F      -7.098247     -2.525315      5.699054
  C      -5.911425     -1.631271      3.849585
  C      -4.563398     -1.714629      4.502139
  O      -4.160580     -2.757116      5.027604
  N      -3.821639     -0.560964      4.377063
  C      -2.470157     -0.577558      4.436228
  C      -5.978073     -1.169631      2.535789
  C      -9.101257     10.297607      0.256666
  C      -8.289182      9.033309      0.424504
  O      -8.523133      8.039080     -0.261946
  C      -7.211253      9.010248      1.456004
  C      -7.072710     10.010584      2.433651
  C      -6.094691      9.898818      3.418289
  C      -5.268508      8.777389      3.431395
  F      -4.327974      8.705078      4.398513
  C      -5.362911      7.763392      2.468498
  C      -4.553518      6.493663      2.455209
  O      -4.137181      6.054064      1.371958
  N      -4.437481      5.898933      3.690829
  C      -4.210145      4.592188      3.640190
  C      -6.329920      7.921751      1.474388
  C      -9.005231      4.094269     -1.027412
  C      -8.876507      3.034517      0.041435
  O      -9.203070      1.869477     -0.179644
  C      -8.352104      3.437738      1.380128
  C      -8.177168      4.787054      1.730912
  C      -7.752791      5.129597      3.011033
  C      -7.465949      4.114821      3.914505
  F      -7.104241      4.466449      5.172245
  C      -7.585936      2.755009      3.594915
  C      -7.355705      1.719030      4.663076
  O      -8.301988      1.051610      5.096159
  N      -6.075078      1.675424      5.154339
  C      -5.845347      1.224578      6.421712
  C      -8.065202      2.439316      2.324586
  H      -9.131875     -0.656695     -0.284867
  H      -7.924654     -0.765008     -1.586107
  H      -8.304598     -2.206043     -0.567468
  H      -9.266012     -1.725824      1.838393
  H      -9.202105     -2.483870      4.213451
  H      -1.850558     -1.481784      4.471191
  H      -5.068954     -0.820117      2.048966
  H      -9.697979     10.490376      1.162062
  H      -8.450563     11.171561      0.106868
  H      -9.776609     10.182182     -0.597659
  H      -7.733491     10.877758      2.440741
  H      -5.964774     10.664985      4.183145
  H      -4.261332      4.093495      2.664064
  H      -6.417003      7.156232      0.703365
  H      -9.342037      3.626502     -1.958458
  H      -8.047857      4.611080     -1.189990
  H      -9.729343      4.866138     -0.724253
  H      -8.392086      5.583170      1.016208
  H      -7.636628      6.167701      3.319470
  H      -6.621364      0.902881      7.125618
  H      -8.228324      1.396038      2.054267
  N      -3.937823      1.608134      2.455966
  H      -3.409173      0.788865      2.132525
  H      -3.542744      2.419357      1.970280
  H      -4.888176      1.496979      2.082448
90
Coordinates from ORCA-job orca E -6670.669494065769
  N      -2.039867      0.695742      4.493063
  Mo     -3.842798      1.712393      4.715683
  N      -4.547286      1.244352      6.609423
  C      -3.777655      1.242516      7.828823
  C      -2.343762      1.531972      7.390691
  N      -2.340308      2.504585      6.251909
  C      -1.001598      2.510893      5.581877
  C      -0.734980      1.167687      4.892258
  C      -2.672656      3.907641      6.703686
  C      -3.952273      4.391178      6.034948
  N      -3.996715      3.812164      4.692649
  H      -0.069533      1.336600      4.029575
  H      -0.235350      0.445656      5.557862
  H      -1.047565      3.309492      4.829991
  H      -0.212190      2.765705      6.308987
  H      -4.837958      4.043562      6.589229
  H      -3.982313      5.489875      5.996246
  H      -2.759937      3.926758      7.798879
  H      -1.834892      4.560907      6.425339
  H      -3.816012      0.278233      8.362217
  H      -4.155388      2.019931      8.515052
  H      -1.886331      0.603601      7.029624
  H      -1.729314      1.922986      8.218262
  C      -8.277632     -1.221571     -0.547648
  C      -7.147056     -0.813206      0.359006
  O      -6.203274     -0.136244     -0.048826
  C      -7.182305     -1.261219      1.785227
  C      -8.341615     -1.726989      2.427181
  C      -8.296660     -2.111997      3.765368
  C      -7.083693     -2.066605      4.445540
  F      -7.058993     -2.441760      5.742091
  C      -5.901993     -1.625267      3.839572
  C      -4.545743     -1.699958      4.476701
  O      -4.134522     -2.742025      4.996734
  N      -3.810268     -0.543991      4.346727
  C      -2.457288     -0.553650      4.401996
  C      -5.987578     -1.211012      2.510958
  C      -9.092194     10.333708      0.266961
  C      -8.281440      9.068362      0.434010
  O      -8.509831      8.078282     -0.260085
  C      -7.212839      9.038955      1.475127
  C      -7.083719     10.033238      2.460279
  C      -6.115148      9.915104      3.453439
  C      -5.288727      8.793867      3.467561
  F      -4.357548      8.716474      4.443230
  C      -5.373552      7.785904      2.497432
  C      -4.565926      6.515196      2.481607
  O      -4.150147      6.078843      1.396711
  N      -4.450929      5.915715      3.715467
  C      -4.220294      4.609616      3.656705
  C      -6.331618      7.950651      1.495249
  C      -8.896989      4.096957     -1.067119
  C      -8.778141      3.033230     -0.000936
  O      -9.087124      1.865961     -0.234278
  C      -8.287026      3.436131      1.350648
  C      -8.133495      4.785687      1.709840
  C      -7.741690      5.128438      3.000361
  C      -7.467446      4.113671      3.907423
  F      -7.134806      4.462874      5.173620
  C      -7.568659      2.753906      3.581331
  C      -7.352154      1.721203      4.656375
  O      -8.305972      1.065704      5.091205
  N      -6.073555      1.669951      5.149231
  C      -5.842106      1.209807      6.412969
  C      -8.012263      2.436743      2.298574
  H      -9.194068     -0.688687     -0.252575
  H      -8.037577     -0.941880     -1.578684
  H      -8.474530     -2.300839     -0.472951
  H      -9.292204     -1.766610      1.894774
  H      -9.191705     -2.437317      4.295295
  H      -1.835114     -1.456203      4.432705
  H      -5.085974     -0.883621      1.993907
  H      -9.712416     10.506311      1.160804
  H      -8.443101     11.213473      0.149211
  H      -9.746879     10.230201     -0.604838
  H      -7.744705     10.900276      2.467055
  H      -5.993029     10.676496      4.224335
  H      -4.259670      4.119247      2.675727
  H      -6.411317      7.189705      0.718763
  H      -9.203171      3.629256     -2.008660
  H      -7.945618      4.632051     -1.202983
  H      -9.642391      4.853488     -0.776526
  H      -8.340148      5.582718      0.993831
  H      -7.641431      6.167080      3.312990
  H      -6.615821      0.879737      7.115432
  H      -8.157085      1.392542      2.020330
  N      -3.986346      1.621003      2.454930
  H      -3.474071      0.798245      2.114885
  H      -3.607377      2.429302      1.951715
  H      -4.950456      1.513997      2.118560
90
Coordinates from ORCA-job orca E -6670.669549254547
  N      -2.038172      0.700564      4.489108
  Mo     -3.842264      1.716448      4.712516
  N      -4.547669      1.246784      6.605828
  C      -3.777934      1.243399      7.825211
  C      -2.343893      1.532467      7.388166
  N      -2.339706      2.506761      6.250829
  C      -1.000549      2.513684      5.581948
  C      -0.733661      1.171039      4.891183
  C      -2.672831      3.908827      6.704259
  C      -3.952937      4.392287      6.036460
  N      -3.995872      3.815403      4.693032
  H      -0.066554      1.340249      4.029832
  H      -0.235573      0.447793      5.556653
  H      -1.045013      3.312955      4.830627
  H      -0.211706      2.767229      6.310130
  H      -4.838467      4.042573      6.589628
  H      -3.984112      5.491001      5.999420
  H      -2.759887      3.926709      7.799506
  H      -1.835575      4.563222      6.426943
  H      -3.816913      0.278682      8.357866
  H      -4.155690      2.020120      8.512233
  H      -1.886808      0.604257      7.026282
  H      -1.729410      1.921909      8.216474
  C      -8.292829     -1.234702     -0.545636
  C      -7.150310     -0.837612      0.351102
  O      -6.197724     -0.180970     -0.069132
  C      -7.184614     -1.270759      1.782344
  C      -8.345127     -1.720383      2.433706
  C      -8.298319     -2.092693      3.775522
  C      -7.082396     -2.050015      4.450638
  F      -7.055161     -2.412748      5.750600
  C      -5.900182     -1.622214      3.835966
  C      -4.543301     -1.695786      4.471973
  O      -4.131754     -2.737516      4.992508
  N      -3.808403     -0.539982      4.339702
  C      -2.455633     -0.548476      4.396144
  C      -5.987024     -1.221184      2.503559
  C      -9.090556     10.349428      0.281029
  C      -8.277182      9.084546      0.440753
  O      -8.500242      8.100120     -0.262772
  C      -7.211792      9.049985      1.485279
  C      -7.084401     10.040734      2.474599
  C      -6.118077      9.918440      3.469182
  C      -5.292056      8.796855      3.480964
  F      -4.362908      8.716056      4.458478
  C      -5.374625      7.792730      2.507067
  C      -4.566608      6.522530      2.487751
  O      -4.150508      6.089555      1.401555
  N      -4.450061      5.920763      3.720315
  C      -4.219386      4.615045      3.658664
  C      -6.331089      7.961449      1.503549
  C      -8.881115      4.067364     -1.082196
  C      -8.773183      3.010946     -0.007480
  O      -9.086274      1.843446     -0.234330
  C      -8.284626      3.420445      1.342795
  C      -8.124907      4.771558      1.693944
  C      -7.735048      5.120717      2.983253
  C      -7.468132      4.110277      3.897273
  F      -7.133709      4.464952      5.160958
  C      -7.575635      2.749213      3.579754
  C      -7.358906      1.721876      4.660043
  O      -8.312726      1.070091      5.100392
  N      -6.078623      1.671064      5.148573
  C      -5.842818      1.210289      6.411353
  C      -8.018287      2.425741      2.298181
  H      -9.199976     -0.688686     -0.246159
  H      -8.054856     -0.965235     -1.579903
  H      -8.503801     -2.310897     -0.464503
  H      -9.297530     -1.757366      1.904394
  H      -9.193663     -2.406041      4.312210
  H      -1.832574     -1.450569      4.424925
  H      -5.085360     -0.902869      1.980900
  H      -9.714667     10.512225      1.174022
  H      -8.443810     11.232145      0.173213
  H      -9.741581     10.251147     -0.594115
  H      -7.745176     10.907917      2.482632
  H      -5.996922     10.676901      4.243130
  H      -4.256694      4.127404      2.676137
  H      -6.408315      7.203154      0.723994
  H      -9.187087      3.594788     -2.021364
  H      -7.924961      4.593823     -1.218922
  H      -9.622148      4.831194     -0.799812
  H      -8.324916      5.565222      0.972575
  H      -7.630405      6.161196      3.288408
  H      -6.614084      0.878589      7.115659
  H      -8.167276      1.380397      2.026263
  N      -3.993181      1.627614      2.452465
  H      -3.480323      0.807504      2.107471
  H      -3.620387      2.438806      1.949276
  H      -4.959698      1.519180      2.122920
90
Coordinates from ORCA-job orca E -6670.669642766921
  N      -2.039433      0.722114      4.468331
  Mo     -3.850120      1.727040      4.701073
  N      -4.552099      1.247002      6.592581
  C      -3.779913      1.235923      7.810422
  C      -2.347294      1.531508      7.374328
  N      -2.347498      2.514634      6.245068
  C      -1.009768      2.532360      5.574481
  C      -0.737178      1.195276      4.874575
  C      -2.688696      3.910816      6.707514
  C      -3.968618      4.394166      6.038740
  N      -4.005084      3.825074      4.691320
  H      -0.070287      1.372866      4.014792
  H      -0.236464      0.469801      5.535605
  H      -1.058097      3.336139      4.828193
  H      -0.220755      2.784039      6.303198
  H      -4.854975      4.038625      6.586671
  H      -4.002823      5.492972      6.007613
  H      -2.780427      3.920039      7.802521
  H      -1.853245      4.571632      6.439853
  H      -3.816451      0.267786      8.337138
  H      -4.158597      2.007099      8.503179
  H      -1.887698      0.607286      7.005495
  H      -1.733002      1.915600      8.205430
  C      -8.341326     -1.315869     -0.523838
  C      -7.175150     -0.924248      0.344753
  O      -6.212239     -0.306425     -0.109216
  C      -7.196537     -1.318782      1.788009
  C      -8.352484     -1.740958      2.464917
  C      -8.293091     -2.081212      3.814708
  C      -7.068514     -2.033336      4.473407
  F      -7.026717     -2.366384      5.780923
  C      -5.891390     -1.627938      3.834224
  C      -4.529481     -1.690198      4.461010
  O      -4.107700     -2.728271      4.980970
  N      -3.804136     -0.529970      4.319631
  C      -2.451460     -0.528513      4.374440
  C      -5.989442     -1.259633      2.493542
  C      -9.078481     10.409203      0.326143
  C      -8.263059      9.142994      0.467751
  O      -8.481342      8.170740     -0.253472
  C      -7.202181      9.093376      1.516754
  C      -7.073405     10.074350      2.516341
  C      -6.109927      9.938785      3.511473
  C      -5.288392      8.813706      3.514220
  F      -4.361661      8.720095      4.493430
  C      -5.372097      7.819448      2.531250
  C      -4.565665      6.548830      2.502262
  O      -4.147029      6.125095      1.413027
  N      -4.453989      5.937358      3.730317
  C      -4.224021      4.632382      3.661255
  C      -6.326194      8.001340      1.527347
  C      -8.815554      4.007498     -1.129237
  C      -8.728963      2.965765     -0.038065
  O      -9.038085      1.795298     -0.255116
  C      -8.261086      3.392029      1.314052
  C      -8.104377      4.747344      1.651508
  C      -7.730581      5.111952      2.941267
  C      -7.476703      4.111776      3.870392
  F      -7.152230      4.479018      5.132944
  C      -7.583980      2.747521      3.568460
  C      -7.372087      1.732641      4.661650
  O      -8.329592      1.096534      5.116091
  N      -6.088738      1.675952      5.141876
  C      -5.848240      1.211299      6.403047
  C      -8.010958      2.408668      2.285372
  H      -9.236707     -0.759879     -0.208656
  H      -8.119895     -1.062226     -1.565699
  H      -8.559879     -2.389785     -0.429915
  H      -9.311013     -1.781110      1.947155
  H      -9.183998     -2.373830      4.370012
  H      -1.822047     -1.426495      4.399051
  H      -5.092874     -0.956813      1.952974
  H      -9.703302     10.556568      1.221290
  H      -8.433577     11.294798      0.232091
  H      -9.728391     10.322438     -0.551033
  H      -7.731088     10.943790      2.529454
  H      -5.986459     10.689388      4.292694
  H      -4.255016      4.151922      2.674758
  H      -6.401262      7.251207      0.739599
  H      -9.108863      3.523427     -2.066604
  H      -7.852838      4.524086     -1.258824
  H      -9.555823      4.779797     -0.869578
  H      -8.292380      5.532246      0.917831
  H      -7.627719      6.156292      3.233724
  H      -6.615952      0.875569      7.108951
  H      -8.158998      1.360522      2.023857
  N      -4.033393      1.640999      2.444024
  H      -3.522021      0.826091      2.085812
  H      -3.679020      2.457754      1.936795
  H      -5.007520      1.527272      2.140164
90
Coordinates from ORCA-job orca E -6670.669731915303
  N      -2.041859      0.748228      4.444422
  Mo     -3.860272      1.737581      4.692496
  N      -4.550854      1.241484      6.583486
  C      -3.772988      1.219514      7.797512
  C      -2.344410      1.529070      7.359229
  N      -2.355328      2.522962      6.239721
  C      -1.021332      2.556419      5.563190
  C      -0.741759      1.227218      4.850412
  C      -2.706583      3.911668      6.714463
  C      -3.987011      4.395385      6.046131
  N      -4.019412      3.834348      4.694907
  H      -0.078929      1.416777      3.990061
  H      -0.233553      0.500082      5.503863
  H      -1.078781      3.366182      4.824026
  H      -0.230162      2.806981      6.290030
  H      -4.873600      4.034033      6.589813
  H      -4.023940      5.494277      6.021020
  H      -2.802963      3.909340      7.809093
  H      -1.873736      4.580104      6.457703
  H      -3.802513      0.245235      8.313081
  H      -4.153146      1.980202      8.501018
  H      -1.879398      0.611715      6.980328
  H      -1.729815      1.908988      8.192128
  C      -8.408675     -1.408882     -0.502328
  C      -7.203168     -1.040455      0.322638
  O      -6.224960     -0.488244     -0.179840
  C      -7.208360     -1.374481      1.781710
  C      -8.361555     -1.749893      2.489842
  C      -8.290144     -2.043119      3.850052
  C      -7.055725     -1.993521      4.489332
  F      -6.998797     -2.283350      5.806779
  C      -5.882181     -1.627682      3.820690
  C      -4.514501     -1.682177      4.437340
  O      -4.084641     -2.718282      4.954267
  N      -3.798729     -0.516883      4.293996
  C      -2.446148     -0.504237      4.344058
  C      -5.990036     -1.306723      2.468700
  C      -9.057051     10.482944      0.358855
  C      -8.240668      9.214979      0.481629
  O      -8.445338      8.261100     -0.267023
  C      -7.193578      9.143407      1.543704
  C      -7.067670     10.112420      2.555468
  C      -6.113726      9.960214      3.556952
  C      -5.298909      8.830026      3.554407
  F      -4.379061      8.723415      4.538840
  C      -5.381259      7.845963      2.561041
  C      -4.579175      6.573186      2.524489
  O      -4.161028      6.155329      1.432575
  N      -4.469312      5.952869      3.748403
  C      -4.236972      4.649217      3.670451
  C      -6.326114      8.044858      1.551317
  C      -8.728386      3.936050     -1.169353
  C      -8.664002      2.909566     -0.061930
  O      -8.966924      1.735817     -0.268897
  C      -8.224835      3.354782      1.293815
  C      -8.079620      4.714659      1.617924
  C      -7.730182      5.097826      2.909284
  C      -7.489607      4.109616      3.854720
  F      -7.183032      4.490507      5.117677
  C      -7.588320      2.741784      3.568051
  C      -7.384691      1.742177      4.677359
  O      -8.346890      1.124817      5.147028
  N      -6.098083      1.675192      5.145628
  C      -5.848472      1.202072      6.402956
  C      -7.989415      2.384110      2.281773
  H      -9.265987     -0.795067     -0.189400
  H      -8.198603     -1.211393     -1.558501
  H      -8.678289     -2.465868     -0.360475
  H      -9.327536     -1.791454      1.986180
  H      -9.178099     -2.299662      4.427662
  H      -1.807918     -1.396393      4.356079
  H      -5.097046     -1.032513      1.906554
  H      -9.688909     10.610549      1.252064
  H      -8.413645     11.371711      0.287013
  H      -9.699609     10.412372     -0.525159
  H      -7.719770     10.985994      2.571022
  H      -5.990467     10.701777      4.346788
  H      -4.262171      4.177297      2.679631
  H      -6.397382      7.303004      0.755090
  H      -9.002095      3.439012     -2.105889
  H      -7.761448      4.447861     -1.286617
  H      -9.472993      4.712499     -0.936579
  H      -8.256886      5.489108      0.870957
  H      -7.636830      6.146695      3.188921
  H      -6.609695      0.859268      7.112118
  H      -8.128833      1.332189      2.030222
  N      -4.077613      1.660344      2.439124
  H      -3.569048      0.851833      2.063895
  H      -3.744530      2.484265      1.929456
  H      -5.059155      1.540886      2.165209
90
Coordinates from ORCA-job orca E -6670.669845847407
  N      -2.042983      0.776452      4.421684
  Mo     -3.871445      1.744723      4.683720
  N      -4.553097      1.230767      6.571652
  C      -3.771885      1.198748      7.783493
  C      -2.347068      1.526398      7.345740
  N      -2.369895      2.531131      6.236708
  C      -1.039191      2.585387      5.555780
  C      -0.747076      1.266829      4.827623
  C      -2.736142      3.911018      6.724026
  C      -4.014630      4.393889      6.050344
  N      -4.038544      3.840344      4.695533
  H      -0.089962      1.473321      3.966843
  H      -0.227908      0.539257      5.471900
  H      -1.108304      3.402098      4.825288
  H      -0.247561      2.836836      6.281837
  H      -4.903267      4.026578      6.586792
  H      -4.055003      5.492764      6.030963
  H      -2.842582      3.895193      7.817566
  H      -1.905996      4.588698      6.483178
  H      -3.793018      0.217831      8.286502
  H      -4.156714      1.947221      8.497474
  H      -1.873702      0.617795      6.956195
  H      -1.734569      1.903227      8.181641
  C      -8.474077     -1.496088     -0.463592
  C      -7.237469     -1.140009      0.320711
  O      -6.254314     -0.639385     -0.223719
  C      -7.219807     -1.424505      1.790149
  C      -8.364969     -1.768487      2.526495
  C      -8.275629     -2.026837      3.892477
  C      -7.030837     -1.972508      4.510227
  F      -6.953849     -2.230138      5.833843
  C      -5.865546     -1.632823      3.814701
  C      -4.489748     -1.679575      4.415868
  O      -4.046842     -2.714535      4.923394
  N      -3.786839     -0.507092      4.272244
  C      -2.434609     -0.479618      4.316480
  C      -5.989805     -1.346533      2.456142
  C      -9.026348     10.569353      0.388120
  C      -8.217711      9.294932      0.495123
  O      -8.418694      8.356957     -0.274105
  C      -7.183049      9.197229      1.567508
  C      -7.053019     10.154576      2.589455
  C      -6.107121      9.982485      3.595343
  C      -5.304283      8.843708      3.586469
  F      -4.390095      8.719576      4.573948
  C      -5.392772      7.869027      2.583849
  C      -4.599697      6.590980      2.539363
  O      -4.184586      6.176774      1.444848
  N      -4.491131      5.962934      3.759513
  C      -4.253871      4.660800      3.675072
  C      -6.329476      8.087760      1.570853
  C      -8.659927      3.882679     -1.207951
  C      -8.601748      2.864982     -0.092045
  O      -8.890681      1.687012     -0.294203
  C      -8.186483      3.323646      1.267103
  C      -8.052057      4.686256      1.583455
  C      -7.725263      5.081433      2.877361
  C      -7.497668      4.101277      3.834292
  F      -7.211837      4.491508      5.099424
  C      -7.585130      2.731116      3.555845
  C      -7.390007      1.740139      4.674722
  O      -8.357058      1.136348      5.151835
  N      -6.103498      1.666148      5.139973
  C      -5.851368      1.186481      6.395144
  C      -7.962165      2.361305      2.265939
  H      -9.307672     -0.854749     -0.142464
  H      -8.286564     -1.328706     -1.529183
  H      -8.764210     -2.543213     -0.291778
  H      -9.339209     -1.814818      2.039547
  H      -9.156799     -2.259439      4.490053
  H      -1.786037     -1.364432      4.318406
  H      -5.103769     -1.093218      1.873231
  H      -9.659683     10.688739      1.281368
  H      -8.377243     11.455034      0.329758
  H      -9.666427     10.515288     -0.498838
  H      -7.694924     11.035584      2.608609
  H      -5.979623     10.715054      4.392848
  H      -4.272887      4.194988      2.681233
  H      -6.404493      7.353921      0.767511
  H      -8.917591      3.376323     -2.144081
  H      -7.694417      4.399083     -1.316927
  H      -9.412648      4.656022     -0.991874
  H      -8.220105      5.453643      0.827204
  H      -7.640369      6.132754      3.149948
  H      -6.609228      0.834654      7.103220
  H      -8.091623      1.306673      2.019165
  N      -4.118290      1.672056      2.433973
  H      -3.611763      0.868805      2.045184
  H      -3.803935      2.501711      1.922079
  H      -5.105709      1.545533      2.185525
90
Coordinates from ORCA-job orca E -6670.670013509307
  N      -2.048302      0.807829      4.395722
  Mo     -3.889302      1.747588      4.677066
  N      -4.552713      1.212968      6.562751
  C      -3.765131      1.170503      7.770596
  C      -2.346777      1.524597      7.330529
  N      -2.388736      2.540113      6.232698
  C      -1.064794      2.620900      5.542639
  C      -0.757478      1.315829      4.796131
  C      -2.773749      3.909270      6.733881
  C      -4.050599      4.389756      6.054189
  N      -4.067670      3.841875      4.696746
  H      -0.111116      1.543516      3.932626
  H      -0.221028      0.590003      5.428187
  H      -1.152442      3.444775      4.822133
  H      -0.270485      2.876109      6.264456
  H      -4.940511      4.016580      6.584651
  H      -4.095021      5.488519      6.039402
  H      -2.891236      3.877610      7.825812
  H      -1.947803      4.597881      6.510237
  H      -3.772751      0.181363      8.257083
  H      -4.155936      1.902603      8.498130
  H      -1.861377      0.628077      6.927862
  H      -1.736546      1.900868      8.168333
  C      -8.557411     -1.576461     -0.408819
  C      -7.282545     -1.244934      0.325102
  O      -6.295128     -0.813719     -0.267817
  C      -7.235608     -1.471957      1.803278
  C      -8.370409     -1.781970      2.570250
  C      -8.258599     -2.006192      3.940372
  C      -7.001690     -1.949274      4.532113
  F      -6.899774     -2.175860      5.860866
  C      -5.847262     -1.637744      3.807687
  C      -4.460420     -1.681084      4.387430
  O      -4.001648     -2.717880      4.875138
  N      -3.773029     -0.499338      4.250462
  C      -2.421746     -0.453179      4.283785
  C      -5.992385     -1.385522      2.443935
  C      -8.991948     10.672613      0.415542
  C      -8.199434      9.387261      0.506585
  O      -8.399528      8.467947     -0.285142
  C      -7.180286      9.254985      1.589965
  C      -7.039262     10.200591      2.620135
  C      -6.101572     10.004673      3.629736
  C      -5.317363      8.853172      3.614865
  F      -4.406834      8.708663      4.602177
  C      -5.420554      7.886278      2.604490
  C      -4.641372      6.599878      2.552169
  O      -4.233582      6.185369      1.455162
  N      -4.531710      5.965413      3.769051
  C      -4.284502      4.665592      3.679363
  C      -6.348813      8.128109      1.589782
  C      -8.554513      3.830586     -1.248289
  C      -8.497146      2.818766     -0.127368
  O      -8.759697      1.634810     -0.328817
  C      -8.119702      3.290304      1.239241
  C      -8.012903      4.655149      1.553263
  C      -7.724602      5.061008      2.853487
  C      -7.508519      4.087911      3.819844
  F      -7.259537      4.486092      5.090859
  C      -7.568829      2.715711      3.544265
  C      -7.388838      1.731666      4.672286
  O      -8.364016      1.144123      5.153200
  N      -6.105215      1.647295      5.138965
  C      -5.851794      1.160658      6.392288
  C      -7.904270      2.334605      2.246833
  H      -9.352727     -0.886604     -0.091600
  H      -8.395235     -1.456238     -1.484934
  H      -8.886113     -2.602759     -0.188518
  H      -9.354784     -1.832970      2.104916
  H      -9.131088     -2.214047      4.559259
  H      -1.760120     -1.328161      4.270128
  H      -5.114972     -1.157131      1.837972
  H      -9.619206     10.795798      1.312363
  H      -8.329271     11.548683      0.360454
  H      -9.635454     10.636557     -0.469825
  H      -7.664076     11.093712      2.642786
  H      -5.964381     10.728669      4.433418
  H      -4.298335      4.204332      2.683339
  H      -6.436223      7.401276      0.781205
  H      -8.784843      3.314819     -2.186472
  H      -7.597249      4.364892     -1.341839
  H      -9.325792      4.590726     -1.051595
  H      -8.174937      5.415856      0.788831
  H      -7.662010      6.114149      3.124400
  H      -6.605842      0.797634      7.098459
  H      -8.010719      1.276941      2.000052
  N      -4.167839      1.680104      2.430550
  H      -3.667585      0.880043      2.027148
  H      -3.870540      2.514753      1.917162
  H      -5.162006      1.548803      2.210632
90
Coordinates from ORCA-job orca E -6670.670088276092
  N      -2.045647      0.839381      4.374180
  Mo     -3.899076      1.751465      4.664604
  N      -4.558949      1.196570      6.543645
  C      -3.770185      1.141575      7.750468
  C      -2.355603      1.518583      7.316141
  N      -2.410266      2.546586      6.231328
  C      -1.088552      2.654567      5.541213
  C      -0.762164      1.363698      4.777534
  C      -2.816590      3.903934      6.746875
  C      -4.088004      4.383303      6.054541
  N      -4.088320      3.844866      4.692833
  H      -0.122143      1.612948      3.915337
  H      -0.212581      0.639021      5.399530
  H      -1.189062      3.486158      4.831304
  H      -0.297042      2.912211      6.265249
  H      -4.982395      4.002666      6.572188
  H      -4.137321      5.481883      6.046785
  H      -2.951712      3.853982      7.836001
  H      -1.993788      4.603882      6.548000
  H      -3.767854      0.144371      8.220078
  H      -4.168858      1.857192      8.489979
  H      -1.858480      0.633707      6.902048
  H      -1.750798      1.891458      8.159404
  C      -8.623124     -1.655755     -0.354753
  C      -7.318128     -1.348843      0.336391
  O      -6.331290     -0.976490     -0.295518
  C      -7.242723     -1.527042      1.820477
  C      -8.365665     -1.803471      2.617242
  C      -8.230649     -1.993760      3.990290
  C      -6.962093     -1.934534      4.555685
  F      -6.835149     -2.129310      5.887988
  C      -5.819604     -1.650408      3.802573
  C      -4.423352     -1.682362      4.362319
  O      -3.947354     -2.717635      4.835946
  N      -3.752363     -0.491550      4.227542
  C      -2.401111     -0.426317      4.256666
  C      -5.986349     -1.433451      2.435029
  C      -8.957548     10.750865      0.442898
  C      -8.171398      9.460681      0.519337
  O      -8.366814      8.556501     -0.290656
  C      -7.164112      9.304791      1.610893
  C      -7.019435     10.239380      2.650144
  C      -6.089634     10.025136      3.663463
  C      -5.316952      8.866008      3.642609
  F      -4.412733      8.704265      4.632855
  C      -5.425410      7.908376      2.623424
  C      -4.654885      6.617060      2.563679
  O      -4.247130      6.208130      1.464535
  N      -4.550300      5.973294      3.776152
  C      -4.297426      4.674930      3.679316
  C      -6.345189      8.168593      1.605829
  C      -8.502259      3.796572     -1.284156
  C      -8.442080      2.789045     -0.159754
  O      -8.683484      1.600595     -0.360596
  C      -8.088622      3.269975      1.210277
  C      -7.994079      4.636611      1.519452
  C      -7.726184      5.050462      2.821671
  C      -7.520249      4.082985      3.795737
  F      -7.289409      4.487380      5.068005
  C      -7.569124      2.709324      3.526091
  C      -7.397104      1.732072      4.661910
  O      -8.377524      1.158957      5.149597
  N      -6.113627      1.637644      5.125150
  C      -5.858356      1.140038      6.374473
  C      -7.882498      2.319893      2.225543
  H      -9.389381     -0.937759     -0.028542
  H      -8.487906     -1.560183     -1.437099
  H      -8.973183     -2.668706     -0.107204
  H      -9.359576     -1.856809      2.172968
  H      -9.093316     -2.176325      4.630343
  H      -1.727077     -1.291581      4.235141
  H      -5.118762     -1.228216      1.806294
  H      -9.584356     10.868531      1.340693
  H      -8.289478     11.623515      0.397377
  H      -9.600156     10.728808     -0.443560
  H      -7.634686     11.138973      2.677074
  H      -5.949481     10.740386      4.474423
  H      -4.299937      4.220299      2.680017
  H      -6.436966      7.449955      0.790656
  H      -8.715243      3.274463     -2.222944
  H      -7.551277      4.343436     -1.369571
  H      -9.286005      4.546808     -1.098876
  H      -8.148134      5.392199      0.748357
  H      -7.671345      6.105007      3.088729
  H      -6.610020      0.766009      7.077226
  H      -7.977756      1.260412      1.980857
  N      -4.201524      1.684510      2.421883
  H      -3.703486      0.888321      2.008595
  H      -3.921063      2.522727      1.905252
  H      -5.198819      1.545659      2.224759
90
Coordinates from ORCA-job orca E -6670.669953586530
  N      -2.016594      0.868294      4.381125
  Mo     -3.889553      1.736599      4.651486
  N      -4.571282      1.153889      6.509623
  C      -3.798195      1.087295      7.726561
  C      -2.384888      1.503953      7.320343
  N      -2.448448      2.544588      6.249551
  C      -1.120891      2.695601      5.578714
  C      -0.751406      1.426874      4.797856
  C      -2.895623      3.885331      6.778257
  C      -4.149186      4.358201      6.047958
  N      -4.105342      3.831455      4.682700
  H      -0.116367      1.710213      3.942634
  H      -0.183495      0.709099      5.411386
  H      -1.234840      3.536319      4.881642
  H      -0.346106      2.962621      6.317184
  H      -5.054455      3.964755      6.536578
  H      -4.210514      5.456011      6.048793
  H      -3.071638      3.807430      7.859622
  H      -2.077509      4.602275      6.625265
  H      -3.780670      0.078349      8.169854
  H      -4.222759      1.776116      8.476772
  H      -1.861185      0.637877      6.898748
  H      -1.802603      1.878537      8.178258
  C      -8.693761     -1.591095     -0.246891
  C      -7.361358     -1.316838      0.403396
  O      -6.392361     -0.941026     -0.253369
  C      -7.237626     -1.518229      1.881877
  C      -8.335538     -1.809247      2.709469
  C      -8.154257     -2.028883      4.073057
  C      -6.867292     -1.981505      4.596570
  F      -6.697008     -2.204498      5.921216
  C      -5.749881     -1.681048      3.815110
  C      -4.335027     -1.705778      4.329170
  O      -3.830033     -2.744161      4.763004
  N      -3.688303     -0.499146      4.218398
  C      -2.335470     -0.406404      4.250764
  C      -5.962842     -1.440252      2.457246
  C      -8.886587     10.795361      0.414867
  C      -8.115020      9.498225      0.498668
  O      -8.313304      8.594017     -0.311819
  C      -7.119936      9.329745      1.598531
  C      -6.979428     10.257962      2.642141
  C      -6.062379     10.032409      3.666187
  C      -5.299116      8.867888      3.649462
  F      -4.409842      8.689134      4.649176
  C      -5.404524      7.915790      2.623020
  C      -4.643050      6.617738      2.565285
  O      -4.211051      6.220888      1.471891
  N      -4.562126      5.961893      3.772689
  C      -4.292977      4.665271      3.669501
  C      -6.307439      8.187370      1.595080
  C      -8.600711      3.823899     -1.309000
  C      -8.461786      2.794211     -0.214082
  O      -8.640767      1.599537     -0.441690
  C      -8.118238      3.261327      1.163757
  C      -8.062244      4.624264      1.493231
  C      -7.793913      5.021961      2.800286
  C      -7.553655      4.046094      3.756749
  F      -7.323109      4.441216      5.030741
  C      -7.570028      2.675196      3.468888
  C      -7.390699      1.687220      4.596123
  O      -8.371506      1.103741      5.072286
  N      -6.112868      1.598682      5.074609
  C      -5.867764      1.089089      6.320360
  C      -7.880955      2.300167      2.162821
  H      -9.439717     -0.868542      0.117664
  H      -8.599355     -1.463026     -1.330523
  H      -9.048036     -2.604051     -0.007982
  H      -9.345990     -1.853298      2.302903
  H      -8.996249     -2.223557      4.736186
  H      -1.644122     -1.257242      4.232748
  H      -5.114619     -1.233015      1.801990
  H      -9.501345     10.943221      1.316161
  H      -8.201434     11.653944      0.348681
  H      -9.537047     10.773272     -0.465789
  H      -7.586866     11.162765      2.670516
  H      -5.930183     10.742596      4.482917
  H      -4.266952      4.214645      2.668457
  H      -6.404878      7.476841      0.775109
  H      -8.797656      3.312350     -2.257024
  H      -7.692093      4.438390     -1.393858
  H      -9.428152      4.517727     -1.092365
  H      -8.242414      5.386997      0.734057
  H      -7.760632      6.071165      3.090686
  H      -6.626277      0.694525      7.004741
  H      -7.945796      1.243039      1.898514
  N      -4.140729      1.669560      2.400526
  H      -3.628665      0.873767      2.003435
  H      -3.850303      2.506244      1.887316
  H      -5.128005      1.520898      2.173117
90
Coordinates from ORCA-job orca E -6670.670007415330
  N      -2.021757      0.870402      4.360235
  Mo     -3.898483      1.727888      4.639596
  N      -4.579915      1.135380      6.493779
  C      -3.802636      1.048289      7.706734
  C      -2.390943      1.473407      7.303068
  N      -2.460268      2.526187      6.244371
  C      -1.134650      2.691733      5.573372
  C      -0.758925      1.432968      4.778862
  C      -2.915467      3.858331      6.786457
  C      -4.161742      4.340391      6.048250
  N      -4.109343      3.823061      4.679381
  H      -0.128312      1.728841      3.924686
  H      -0.184719      0.712908      5.383742
  H      -1.253948      3.539029      4.885196
  H      -0.360232      2.955094      6.313552
  H      -5.071900      3.945872      6.526524
  H      -4.220277      5.438333      6.056273
  H      -3.105243      3.763952      7.864076
  H      -2.096232      4.578501      6.655426
  H      -3.783871      0.032245      8.133422
  H      -4.225055      1.724689      8.469289
  H      -1.865137      0.613880      6.870942
  H      -1.808443      1.839580      8.164521
  C      -8.764579     -1.605483     -0.196042
  C      -7.410382     -1.367570      0.423374
  O      -6.442647     -1.038484     -0.259396
  C      -7.262632     -1.550879      1.902454
  C      -8.349308     -1.816996      2.752775
  C      -8.147905     -2.018995      4.116303
  C      -6.851787     -1.978764      4.616950
  F      -6.660408     -2.186084      5.941689
  C      -5.745262     -1.699224      3.812907
  C      -4.323848     -1.716876      4.309412
  O      -3.805376     -2.756721      4.723702
  N      -3.686594     -0.505803      4.198304
  C      -2.334074     -0.405213      4.225192
  C      -5.977191     -1.476635      2.455208
  C      -8.965105     10.701241      0.408819
  C      -8.160629      9.424013      0.492795
  O      -8.326852      8.520497     -0.325349
  C      -7.167333      9.277860      1.597803
  C      -7.050436     10.210161      2.640931
  C      -6.132313     10.005371      3.668242
  C      -5.344509      8.857160      3.655955
  F      -4.454310      8.699798      4.658609
  C      -5.425512      7.902052      2.630287
  C      -4.635883      6.621007      2.575334
  O      -4.202280      6.228717      1.480602
  N      -4.558731      5.959442      3.779938
  C      -4.288087      4.663991      3.670517
  C      -6.330992      8.153052      1.599263
  C      -8.457838      3.909937     -1.324623
  C      -8.368084      2.881168     -0.223318
  O      -8.572852      1.690662     -0.450978
  C      -8.032944      3.343418      1.158284
  C      -7.932540      4.705390      1.482605
  C      -7.666995      5.099990      2.791145
  C      -7.475613      4.120369      3.755042
  F      -7.242025      4.511448      5.029589
  C      -7.539321      2.749680      3.473536
  C      -7.396147      1.763003      4.607324
  O      -8.397840      1.225860      5.094465
  N      -6.118778      1.622298      5.073061
  C      -5.878206      1.091967      6.311092
  C      -7.845131      2.379192      2.165016
  H      -9.479475     -0.856460      0.177092
  H      -8.688069     -1.492163     -1.282591
  H      -9.145921     -2.604527      0.059677
  H      -9.366966     -1.853547      2.363903
  H      -8.980846     -2.191978      4.796681
  H      -1.637640     -1.251721      4.200226
  H      -5.138745     -1.280601      1.783658
  H      -9.583076     10.834384      1.310099
  H      -8.301655     11.576734      0.341711
  H      -9.614416     10.662317     -0.472098
  H      -7.676851     11.102034      2.665685
  H      -6.017386     10.719553      4.484106
  H      -4.253250      4.220455      2.666579
  H      -6.409189      7.440371      0.778818
  H      -8.652617      3.400383     -2.274161
  H      -7.529992      4.496916     -1.396073
  H      -9.268639      4.627977     -1.125212
  H      -8.073515      5.470127      0.717575
  H      -7.598187      6.148885      3.076905
  H      -6.639867      0.705702      6.996514
  H      -7.941503      1.323880      1.903265
  N      -4.169953      1.663596      2.391722
  H      -3.663711      0.868013      1.987124
  H      -3.887768      2.501197      1.875448
  H      -5.160830      1.515580      2.180642
90
Coordinates from ORCA-job orca E -6670.670113927247
  N      -2.042366      0.873233      4.342426
  Mo     -3.906317      1.760366      4.649131
  N      -4.573083      1.178760      6.516445
  C      -3.781280      1.085222      7.719068
  C      -2.368149      1.480569      7.296087
  N      -2.429831      2.533990      6.237021
  C      -1.109207      2.675033      5.550932
  C      -0.765471      1.407028      4.754746
  C      -2.855098      3.871913      6.781674
  C      -4.107978      4.371042      6.068356
  N      -4.085506      3.853898      4.698129
  H      -0.132736      1.686510      3.896690
  H      -0.203027      0.676391      5.357639
  H      -1.219032      3.522855      4.862102
  H      -0.321270      2.923649      6.281942
  H      -5.015570      3.987718      6.559906
  H      -4.150622      5.469947      6.076522
  H      -3.024580      3.786516      7.863667
  H      -2.027970      4.579815      6.634265
  H      -3.776244      0.073340      8.155988
  H      -4.180848      1.774890      8.482258
  H      -1.864078      0.609285      6.862586
  H      -1.767096      1.836377      8.149607
  C      -8.716504     -1.628254     -0.278566
  C      -7.375085     -1.381068      0.365639
  O      -6.393721     -1.064555     -0.303483
  C      -7.256678     -1.558806      1.847105
  C      -8.357657     -1.823932      2.676095
  C      -8.187368     -2.007403      4.045488
  C      -6.904475     -1.949035      4.576115
  F      -6.741282     -2.138993      5.905655
  C      -5.782645     -1.670564      3.790734
  C      -4.376098     -1.683609      4.323896
  O      -3.865354     -2.723632      4.750430
  N      -3.730421     -0.479827      4.192713
  C      -2.382454     -0.395221      4.214551
  C      -5.982439     -1.462569      2.426439
  C      -8.958886     10.716006      0.428839
  C      -8.143921      9.443086      0.506730
  O      -8.304743      8.543257     -0.314889
  C      -7.151412      9.300601      1.614366
  C      -7.034798     10.234008      2.659246
  C      -6.115548     10.029592      3.683677
  C      -5.325795      8.881366      3.669142
  F      -4.432817      8.729545      4.671932
  C      -5.405889      7.926340      2.646237
  C      -4.613774      6.648670      2.590833
  O      -4.196956      6.246413      1.492214
  N      -4.523523      5.996312      3.799616
  C      -4.272441      4.699991      3.693163
  C      -6.317395      8.176489      1.618675
  C      -8.436844      3.777277     -1.319436
  C      -8.382768      2.779749     -0.183783
  O      -8.594614      1.585067     -0.381242
  C      -8.060095      3.276295      1.188433
  C      -7.964838      4.646404      1.486072
  C      -7.718515      5.073019      2.788095
  C      -7.537570      4.113794      3.776151
  F      -7.324178      4.528145      5.048464
  C      -7.583761      2.737803      3.518204
  C      -7.416305      1.770193      4.662579
  O      -8.402574      1.222716      5.167255
  N      -6.129114      1.655306      5.110053
  C      -5.874457      1.144839      6.354385
  C      -7.876048      2.336783      2.216719
  H      -9.446412     -0.896398      0.095657
  H      -8.617970     -1.519984     -1.363382
  H      -9.089010     -2.636035     -0.040645
  H      -9.362966     -1.871500      2.257920
  H      -9.033036     -2.180421      4.709911
  H      -1.696827     -1.251093      4.181984
  H      -5.133554     -1.248558      1.776118
  H      -9.587688     10.820016      1.326757
  H      -8.310890     11.603677      0.381468
  H      -9.600143     10.677873     -0.458050
  H      -7.663308     11.124613      2.678946
  H      -5.994678     10.744718      4.497834
  H      -4.256437      4.260203      2.688116
  H      -6.382999      7.460363      0.797704
  H      -8.624939      3.244619     -2.257612
  H      -7.489971      4.333062     -1.393872
  H      -9.233436      4.518068     -1.155035
  H      -8.101212      5.394683      0.705708
  H      -7.663890      6.129897      3.043948
  H      -6.625576      0.767785      7.055809
  H      -7.967644      1.275248      1.979218
  N      -4.239799      1.702980      2.413556
  H      -3.748977      0.909080      1.986763
  H      -3.972793      2.545077      1.895716
  H      -5.243574      1.565164      2.241602
90
Coordinates from ORCA-job orca E -6670.670310098561
  N      -2.026316      0.887870      4.351534
  Mo     -3.907309      1.737739      4.640926
  N      -4.583086      1.144744      6.498567
  C      -3.798922      1.053179      7.706838
  C      -2.389548      1.481947      7.298903
  N      -2.464807      2.536266      6.242294
  C      -1.142004      2.708854      5.567630
  C      -0.764229      1.453258      4.767917
  C      -2.922437      3.863783      6.789282
  C      -4.165283      4.350398      6.049242
  N      -4.113973      3.831976      4.680909
  H      -0.137493      1.753088      3.912340
  H      -0.184908      0.734117      5.368896
  H      -1.265709      3.557708      4.882210
  H      -0.366071      2.972055      6.306266
  H      -5.077244      3.958224      6.525419
  H      -4.220244      5.448666      6.056418
  H      -3.118880      3.762784      7.865082
  H      -2.101929      4.584773      6.670114
  H      -3.775747      0.034960      8.128063
  H      -4.218744      1.723837      8.475858
  H      -1.862428      0.623956      6.865639
  H      -1.805058      1.848270      8.159170
  C      -8.732021     -1.617702     -0.213383
  C      -7.378350     -1.389866      0.411463
  O      -6.403927     -1.075702     -0.268626
  C      -7.238293     -1.573926      1.890429
  C      -8.325101     -1.852910      2.735123
  C      -8.128437     -2.053010      4.099526
  C      -6.835941     -1.993590      4.607717
  F      -6.648465     -2.197198      5.933351
  C      -5.729062     -1.703414      3.806995
  C      -4.310745     -1.712924      4.309236
  O      -3.784841     -2.751283      4.719895
  N      -3.683983     -0.497113      4.198000
  C      -2.334968     -0.388624      4.220792
  C      -5.956223     -1.482967      2.449050
  C      -8.899757     10.786725      0.411036
  C      -8.121651      9.492388      0.491902
  O      -8.307877      8.594518     -0.327501
  C      -7.126468      9.327346      1.593081
  C      -6.985316     10.257705      2.636378
  C      -6.068237     10.032706      3.659452
  C      -5.305739      8.867108      3.643999
  F      -4.415443      8.691264      4.644283
  C      -5.409484      7.914889      2.619393
  C      -4.649277      6.617024      2.563172
  O      -4.208202      6.224097      1.471239
  N      -4.563723      5.966810      3.773617
  C      -4.294230      4.672233      3.670874
  C      -6.315115      8.185177      1.592561
  C      -8.496446      3.856349     -1.311732
  C      -8.382332      2.829060     -0.209370
  O      -8.553809      1.633723     -0.438813
  C      -8.072037      3.299640      1.174857
  C      -8.022019      4.663822      1.504501
  C      -7.785868      5.064621      2.816477
  C      -7.570911      4.088819      3.780225
  F      -7.367508      4.482549      5.060093
  C      -7.581763      2.717847      3.492614
  C      -7.413403      1.731598      4.622076
  O      -8.399698      1.161182      5.102193
  N      -6.131590      1.619803      5.083879
  C      -5.882267      1.096131      6.323080
  C      -7.858520      2.340593      2.180350
  H      -9.444153     -0.866816      0.159447
  H      -8.648253     -1.510768     -1.299682
  H      -9.121039     -2.614911      0.039992
  H      -9.338422     -1.904895      2.337336
  H      -8.961841     -2.242470      4.775441
  H      -1.634052     -1.231686      4.193662
  H      -5.117916     -1.271013      1.783675
  H      -9.507448     10.931127      1.317531
  H      -8.220820     11.649564      0.336792
  H      -9.556992     10.758087     -0.464420
  H      -7.592292     11.163024      2.661035
  H      -5.932540     10.744802      4.473945
  H      -4.258044      4.228553      2.667326
  H      -6.406983      7.472039      0.772270
  H      -8.673482      3.343041     -2.262741
  H      -7.582082      4.464411     -1.380497
  H      -9.326194      4.552219     -1.114185
  H      -8.185187      5.425830      0.741842
  H      -7.761283      6.115375      3.102586
  H      -6.636795      0.704079      7.012873
  H      -7.919641      1.283231      1.916503
  N      -4.202824      1.668797      2.397959
  H      -3.703002      0.871316      1.988677
  H      -3.924006      2.505612      1.878107
  H      -5.200136      1.526590      2.199398
90
Coordinates from ORCA-job orca E -6670.670112806556
  N      -2.002675      0.910313      4.333238
  Mo     -3.889637      1.747968      4.612530
  N      -4.596291      1.123243      6.448455
  C      -3.830055      1.011693      7.666302
  C      -2.414867      1.447851      7.287878
  N      -2.476534      2.520066      6.249604
  C      -1.143769      2.710122      5.599165
  C      -0.749100      1.472252      4.779732
  C      -2.947472      3.835527      6.815055
  C      -4.174786      4.336748      6.058109
  N      -4.095266      3.842477      4.682299
  H      -0.111720      1.792328      3.939492
  H      -0.175543      0.743000      5.373998
  H      -1.259607      3.572516      4.929563
  H      -0.380930      2.960612      6.355629
  H      -5.096506      3.937134      6.508887
  H      -4.229670      5.434717      6.083240
  H      -3.169304      3.710208      7.883372
  H      -2.125203      4.559919      6.732858
  H      -3.810431     -0.014453      8.068384
  H      -4.262940      1.666634      8.441589
  H      -1.879823      0.597841      6.848325
  H      -1.844195      1.799611      8.163342
  C      -8.891758     -1.578634     -0.076181
  C      -7.507353     -1.378647      0.487236
  O      -6.560485     -1.074545     -0.235326
  C      -7.305486     -1.549700      1.961895
  C      -8.358462     -1.793241      2.859012
  C      -8.104241     -1.977702      4.216263
  C      -6.788922     -1.940752      4.664323
  F      -6.546254     -2.128695      5.983033
  C      -5.713557     -1.684200      3.810597
  C      -4.275709     -1.701468      4.254270
  O      -3.746995     -2.737323      4.668116
  N      -3.655250     -0.481797      4.148145
  C      -2.304346     -0.366170      4.182258
  C      -5.997416     -1.478779      2.461166
  C      -8.956740     10.702592      0.439175
  C      -8.120543      9.444204      0.511426
  O      -8.258463      8.549096     -0.320437
  C      -7.140144      9.304253      1.629237
  C      -7.058169     10.222699      2.689775
  C      -6.154562     10.016959      3.728592
  C      -5.348111      8.881236      3.713127
  F      -4.475479      8.722303      4.732047
  C      -5.391469      7.942914      2.672134
  C      -4.584244      6.673693      2.612614
  O      -4.124158      6.305478      1.520029
  N      -4.525693      5.994575      3.809075
  C      -4.254594      4.701246      3.684826
  C      -6.282833      8.196685      1.628282
  C      -8.401646      3.834145     -1.413879
  C      -8.325016      2.810867     -0.304842
  O      -8.518852      1.618015     -0.530601
  C      -8.017770      3.283153      1.078884
  C      -7.928650      4.648296      1.397140
  C      -7.682063      5.052138      2.706215
  C      -7.500430      4.078731      3.679041
  F      -7.277768      4.476483      4.953553
  C      -7.556005      2.706691      3.404936
  C      -7.404599      1.726349      4.542351
  O      -8.401351      1.179038      5.028060
  N      -6.126560      1.607693      5.014534
  C      -5.892366      1.075628      6.252520
  C      -7.840547      2.326888      2.094281
  H      -9.577433     -0.827132      0.343025
  H      -8.857472     -1.457339     -1.163724
  H      -9.280314     -2.575557      0.179332
  H      -9.389647     -1.827288      2.507131
  H      -8.909646     -2.137083      4.932469
  H      -1.597857     -1.204453      4.153787
  H      -5.185547     -1.293644      1.755101
  H      -9.587001     10.801240      1.336418
  H      -8.317479     11.597083      0.393970
  H      -9.595869     10.659780     -0.449011
  H      -7.701702     11.102314      2.715260
  H      -6.064743     10.720645      4.556635
  H      -4.194025      4.276560      2.673692
  H      -6.325727      7.496964      0.793956
  H      -8.582943      3.320105     -2.363636
  H      -7.471005      4.417824     -1.477489
  H      -9.215026      4.552209     -1.227062
  H      -8.060007      5.409178      0.626814
  H      -7.619655      6.103981      2.982584
  H      -6.655326      0.673473      6.927254
  H      -7.929172      1.269568      1.837963
  N      -4.163760      1.706521      2.367314
  H      -3.644075      0.925680      1.952172
  H      -3.897533      2.555292      1.860563
  H      -5.152495      1.548441      2.155402
90
Coordinates from ORCA-job orca E -6670.670462753737
  N      -2.023817      0.909770      4.329347
  Mo     -3.911021      1.741110      4.628252
  N      -4.593335      1.128535      6.475606
  C      -3.809548      1.012397      7.682248
  C      -2.400459      1.454543      7.285108
  N      -2.480360      2.523945      6.245500
  C      -1.158157      2.719492      5.576450
  C      -0.767522      1.482361      4.754069
  C      -2.951160      3.838726      6.812283
  C      -4.176849      4.342851      6.053349
  N      -4.107034      3.837187      4.681003
  H      -0.145812      1.805009      3.903190
  H      -0.179519      0.759020      5.341461
  H      -1.288752      3.579725      4.906685
  H      -0.385996      2.976333      6.321198
  H      -5.099723      3.952895      6.510298
  H      -4.224303      5.441260      6.070460
  H      -3.176124      3.711249      7.879556
  H      -2.127627      4.562030      6.733603
  H      -3.782965     -0.015812      8.078268
  H      -4.232610      1.662776      8.466576
  H      -1.867066      0.606667      6.839278
  H      -1.820474      1.810303      8.152775
  C      -8.814971     -1.602961     -0.144125
  C      -7.437608     -1.416185      0.442173
  O      -6.470774     -1.149738     -0.268089
  C      -7.265696     -1.577837      1.920990
  C      -8.336572     -1.830636      2.794187
  C      -8.110838     -2.018243      4.155940
  C      -6.805972     -1.972865      4.632500
  F      -6.589850     -2.164502      5.956337
  C      -5.714516     -1.704388      3.804346
  C      -4.285809     -1.711958      4.279341
  O      -3.744361     -2.753748      4.658831
  N      -3.669643     -0.490085      4.175407
  C      -2.319899     -0.369378      4.192037
  C      -5.969858     -1.497434      2.449160
  C      -8.934679     10.719832      0.415470
  C      -8.115694      9.450849      0.491425
  O      -8.267736      8.553484     -0.335732
  C      -7.131884      9.303734      1.605049
  C      -7.028163     10.230871      2.655156
  C      -6.117444     10.024265      3.687944
  C      -5.324834      8.879027      3.675889
  F      -4.442513      8.720745      4.685963
  C      -5.391925      7.929770      2.645021
  C      -4.595599      6.653250      2.589537
  O      -4.159746      6.264343      1.494250
  N      -4.533881      5.982968      3.790997
  C      -4.267739      4.687674      3.676848
  C      -6.290779      8.183075      1.608035
  C      -8.425616      3.862447     -1.351566
  C      -8.333338      2.839630     -0.243554
  O      -8.509422      1.644322     -0.469711
  C      -8.027813      3.313667      1.140673
  C      -7.955282      4.678437      1.462529
  C      -7.720700      5.082193      2.774219
  C      -7.531952      4.108586      3.745331
  F      -7.328025      4.505551      5.023940
  C      -7.566742      2.736646      3.466121
  C      -7.416740      1.754975      4.602583
  O      -8.415504      1.220188      5.098197
  N      -6.136904      1.622122      5.062791
  C      -5.892544      1.088362      6.298518
  C      -7.839642      2.356771      2.153679
  H      -9.497692     -0.835170      0.249585
  H      -8.759187     -1.495659     -1.232294
  H      -9.223342     -2.589873      0.118740
  H      -9.359853     -1.873300      2.421299
  H      -8.930964     -2.186360      4.852997
  H      -1.610866     -1.205210      4.157929
  H      -5.144023     -1.305742      1.761485
  H      -9.547039     10.844649      1.321629
  H      -8.281024     11.602380      0.344182
  H      -9.589193     10.674764     -0.461307
  H      -7.658361     11.120165      2.677693
  H      -6.010556     10.735229      4.507693
  H      -4.214993      4.253635      2.669296
  H      -6.354042      7.474915      0.781941
  H      -8.601659      3.345949     -2.301018
  H      -7.503934      4.459859     -1.416693
  H      -9.248645      4.569235     -1.163884
  H      -8.096063      5.439041      0.693491
  H      -7.674999      6.133632      3.054892
  H      -6.649401      0.692487      6.983489
  H      -7.914823      1.299037      1.893924
  N      -4.224364      1.677577      2.388245
  H      -3.724754      0.883838      1.971992
  H      -3.956436      2.517276      1.867589
  H      -5.221188      1.530528      2.199773
90
Coordinates from ORCA-job orca E -6670.670117317045
  N      -2.039959      0.923711      4.310990
  Mo     -3.929605      1.748336      4.630175
  N      -4.590768      1.140994      6.489596
  C      -3.792198      1.029235      7.686506
  C      -2.388814      1.470614      7.271547
  N      -2.482043      2.538524      6.230724
  C      -1.166925      2.736456      5.548580
  C      -0.781203      1.497211      4.726518
  C      -2.950266      3.852367      6.798687
  C      -4.187564      4.350354      6.055436
  N      -4.132851      3.841366      4.683372
  H      -0.165121      1.817128      3.870555
  H      -0.188476      0.776265      5.311861
  H      -1.305385      3.594380      4.877624
  H      -0.388202      2.996455      6.285402
  H      -5.103255      3.957998      6.524128
  H      -4.238285      5.448742      6.069485
  H      -3.160428      3.729061      7.869577
  H      -2.130257      4.578189      6.707653
  H      -3.760998      0.003170      8.087896
  H      -4.205402      1.682884      8.473370
  H      -1.859655      0.621488      6.823558
  H      -1.798716      1.828770      8.131651
  C      -8.777566     -1.635570     -0.176457
  C      -7.408013     -1.432751      0.422750
  O      -6.438494     -1.154244     -0.279271
  C      -7.246054     -1.606102      1.900980
  C      -8.320797     -1.868154      2.765253
  C      -8.105756     -2.051817      4.128829
  C      -6.805988     -1.994618      4.617178
  F      -6.599806     -2.183120      5.942151
  C      -5.710063     -1.717648      3.796444
  C      -4.287557     -1.709647      4.287137
  O      -3.739022     -2.745694      4.673780
  N      -3.680779     -0.484364      4.172823
  C      -2.335455     -0.356115      4.182662
  C      -5.954386     -1.512704      2.439375
  C      -8.861621     10.875030      0.437036
  C      -8.087632      9.576562      0.502977
  O      -8.252580      8.703001     -0.346110
  C      -7.116777      9.383194      1.621593
  C      -6.993923     10.288928      2.689842
  C      -6.099611     10.035619      3.725533
  C      -5.341816      8.866678      3.698405
  F      -4.474598      8.663790      4.714559
  C      -5.427216      7.939144      2.651092
  C      -4.673435      6.638708      2.581911
  O      -4.200174      6.272556      1.493879
  N      -4.587947      5.980810      3.788371
  C      -4.312543      4.689142      3.678788
  C      -6.310978      8.238153      1.612449
  C      -8.416160      3.712900     -1.355955
  C      -8.356742      2.725989     -0.211803
  O      -8.565530      1.528976     -0.397828
  C      -8.044765      3.238200      1.157006
  C      -7.947192      4.611297      1.438246
  C      -7.707307      5.051742      2.736951
  C      -7.536650      4.104392      3.737786
  F      -7.324266      4.534292      5.004950
  C      -7.591792      2.725580      3.497973
  C      -7.437966      1.773498      4.657747
  O      -8.430781      1.236155      5.161459
  N      -6.150787      1.635345      5.096663
  C      -5.892172      1.103390      6.330609
  C      -7.872906      2.310385      2.198498
  H      -9.477367     -0.890316      0.228199
  H      -8.714012     -1.517957     -1.262848
  H      -9.168619     -2.635053      0.066906
  H      -9.339280     -1.915899      2.380275
  H      -8.930015     -2.223044      4.820143
  H      -1.621392     -1.187869      4.143748
  H      -5.126200     -1.301113      1.761624
  H      -9.490301     10.993716      1.332858
  H      -8.181794     11.739511      0.401439
  H      -9.498167     10.869058     -0.454031
  H      -7.598122     11.195890      2.720629
  H      -5.976277     10.728152      4.558652
  H      -4.265556      4.255120      2.671641
  H      -6.381733      7.544564      0.773137
  H      -8.604885      3.170574     -2.288441
  H      -7.473179      4.273974     -1.438469
  H      -9.216034      4.451328     -1.195254
  H      -8.073878      5.351293      0.647923
  H      -7.646236      6.111077      2.981239
  H      -6.639841      0.715898      7.029984
  H      -7.966509      1.246589      1.972116
  N      -4.283403      1.678203      2.398487
  H      -3.774611      0.896506      1.970310
  H      -4.043889      2.525107      1.875056
  H      -5.283567      1.513169      2.231394
90
Coordinates from ORCA-job orca E -6670.670549476567
  N      -2.028708      0.919211      4.306716
  Mo     -3.918654      1.743989      4.617189
  N      -4.598570      1.128016      6.466342
  C      -3.809042      1.001436      7.667802
  C      -2.401219      1.444815      7.268117
  N      -2.484729      2.519808      6.234119
  C      -1.163799      2.722134      5.564315
  C      -0.772638      1.490072      4.734238
  C      -2.955522      3.830201      6.809072
  C      -4.178733      4.341652      6.051174
  N      -4.110286      3.839208      4.677659
  H      -0.151991      1.817926      3.884593
  H      -0.182939      0.764131      5.316566
  H      -1.296231      3.586259      4.900059
  H      -0.391153      2.975122      6.309894
  H      -5.102902      3.953487      6.506382
  H      -4.222239      5.440225      6.070539
  H      -3.184629      3.694981      7.874505
  H      -2.130396      4.552812      6.740465
  H      -3.781501     -0.030026      8.055486
  H      -4.227430      1.645327      8.459848
  H      -1.869062      0.598469      6.818174
  H      -1.818282      1.796241      8.135750
  C      -8.855093     -1.643297     -0.110101
  C      -7.474670     -1.439196      0.462784
  O      -6.517258     -1.166397     -0.257889
  C      -7.285751     -1.600263      1.939555
  C      -8.344457     -1.852774      2.826830
  C      -8.101846     -2.030431      4.186963
  C      -6.791753     -1.976702      4.647960
  F      -6.559145     -2.161918      5.969400
  C      -5.711238     -1.710525      3.803879
  C      -4.278082     -1.712713      4.263373
  O      -3.731082     -2.751053      4.645501
  N      -3.670144     -0.487132      4.157216
  C      -2.322909     -0.360280      4.169784
  C      -5.983489     -1.511557      2.451349
  C      -8.936983     10.737523      0.420778
  C      -8.125569      9.463073      0.497796
  O      -8.272013      8.573350     -0.338073
  C      -7.141477      9.312304      1.611138
  C      -7.038630     10.234547      2.666964
  C      -6.130870     10.020595      3.700100
  C      -5.340027      8.873844      3.683683
  F      -4.460637      8.709691      4.696101
  C      -5.404028      7.931346      2.647834
  C      -4.613807      6.651738      2.588077
  O      -4.160887      6.273981      1.495591
  N      -4.543251      5.985572      3.790935
  C      -4.273340      4.692503      3.675469
  C      -6.301626      8.191547      1.610574
  C      -8.317122      3.868027     -1.368014
  C      -8.254565      2.847401     -0.254742
  O      -8.423184      1.651429     -0.483200
  C      -7.989365      3.324919      1.136085
  C      -7.935500      4.690921      1.459281
  C      -7.735082      5.097554      2.775476
  C      -7.559038      4.125622      3.751144
  F      -7.384359      4.523704      5.033816
  C      -7.576240      2.753424      3.471401
  C      -7.428023      1.772859      4.608580
  O      -8.422923      1.215562      5.086423
  N      -6.146588      1.639598      5.065310
  C      -5.898652      1.094034      6.295192
  C      -7.817862      2.370538      2.153922
  H      -9.546208     -0.891755      0.298345
  H      -8.811323     -1.533510     -1.198258
  H      -9.244982     -2.638664      0.150972
  H      -9.370937     -1.900146      2.463515
  H      -8.912547     -2.197332      4.895533
  H      -1.609471     -1.192449      4.131873
  H      -5.167472     -1.313749      1.754363
  H      -9.558058     10.856241      1.321787
  H      -8.280308     11.618641      0.362406
  H      -9.583064     10.699817     -0.462608
  H      -7.668456     11.124088      2.691388
  H      -6.023624     10.727331      4.523466
  H      -4.215926      4.263011      2.666462
  H      -6.358801      7.486726      0.780029
  H      -8.468156      3.350222     -2.321057
  H      -7.391672      4.461737     -1.410376
  H      -9.143496      4.575976     -1.202716
  H      -8.064317      5.450905      0.688253
  H      -7.706325      6.150256      3.053621
  H      -6.652955      0.698981      6.983265
  H      -7.879144      1.312157      1.894084
  N      -4.253071      1.683180      2.381491
  H      -3.746162      0.897990      1.957893
  H      -4.000112      2.528258      1.861537
  H      -5.251035      1.526708      2.199351
90
Coordinates from ORCA-job orca E -6670.670363563396
  N      -2.016197      0.945770      4.317821
  Mo     -3.917067      1.744298      4.618823
  N      -4.607883      1.112908      6.456392
  C      -3.825932      0.981669      7.662771
  C      -2.419444      1.446517      7.279225
  N      -2.509082      2.526137      6.252219
  C      -1.186343      2.752614      5.593820
  C      -0.771385      1.535131      4.754113
  C      -3.002800      3.826220      6.833885
  C      -4.211319      4.339081      6.051826
  N      -4.116657      3.841236      4.678453
  H      -0.154395      1.882463      3.909563
  H      -0.171329      0.813610      5.331492
  H      -1.327285      3.621383      4.937293
  H      -0.423085      3.010179      6.347383
  H      -5.143491      3.948341      6.488796
  H      -4.257421      5.437358      6.074471
  H      -3.258668      3.672972      7.890565
  H      -2.181104      4.555094      6.796849
  H      -3.787922     -0.055086      8.035074
  H      -4.259026      1.608998      8.460051
  H      -1.872028      0.611090      6.826570
  H      -1.849338      1.799643      8.154465
  C      -8.849958     -1.558890     -0.081426
  C      -7.458046     -1.404513      0.479371
  O      -6.500560     -1.147462     -0.246502
  C      -7.260482     -1.576640      1.954163
  C      -8.313838     -1.841000      2.845600
  C      -8.060328     -2.042399      4.200869
  C      -6.746594     -1.993608      4.652481
  F      -6.503930     -2.196065      5.970712
  C      -5.672409     -1.714357      3.805856
  C      -4.234859     -1.714249      4.253540
  O      -3.675785     -2.754642      4.609872
  N      -3.637993     -0.481873      4.163878
  C      -2.289271     -0.338558      4.177236
  C      -5.955387     -1.498521      2.457910
  C      -8.883874     10.775570      0.426316
  C      -8.067056      9.504961      0.494686
  O      -8.218292      8.614152     -0.339832
  C      -7.095363      9.342772      1.616700
  C      -7.000710     10.258334      2.677801
  C      -6.101936     10.038059      3.718222
  C      -5.313123      8.890500      3.703456
  F      -4.442913      8.718610      4.721736
  C      -5.370953      7.952575      2.661761
  C      -4.579288      6.672869      2.601510
  O      -4.134951      6.292189      1.507011
  N      -4.534393      5.990997      3.797229
  C      -4.262649      4.696847      3.676733
  C      -6.256635      8.220077      1.616730
  C      -8.470764      3.791428     -1.389843
  C      -8.376664      2.778248     -0.273626
  O      -8.572640      1.583456     -0.485328
  C      -8.051488      3.262475      1.102334
  C      -7.960942      4.629354      1.409579
  C      -7.708071      5.042615      2.714884
  C      -7.520059      4.076751      3.693661
  F      -7.292665      4.484189      4.964589
  C      -7.576232      2.702684      3.429671
  C      -7.429140      1.730007      4.574628
  O      -8.431987      1.224358      5.092486
  N      -6.150144      1.600587      5.037489
  C      -5.906436      1.069515      6.274203
  C      -7.864361      2.313390      2.123177
  H      -9.518226     -0.795927      0.345541
  H      -8.816489     -1.425126     -1.167493
  H      -9.263412     -2.547405      0.167595
  H      -9.343761     -1.886286      2.491792
  H      -8.865909     -2.225151      4.911470
  H      -1.565521     -1.161531      4.141806
  H      -5.143315     -1.299335      1.755544
  H      -9.496372     10.898853      1.332495
  H      -8.226383     11.655767      0.360158
  H      -9.537344     10.737721     -0.451571
  H      -7.628286     11.149409      2.703428
  H      -6.002919     10.740321      4.546430
  H      -4.187226      4.269619      2.667142
  H      -6.312463      7.521988      0.781876
  H      -8.668280      3.268153     -2.331297
  H      -7.542893      4.376697     -1.474587
  H      -9.281469      4.510990     -1.196093
  H      -8.100471      5.384528      0.634880
  H      -7.645242      6.096449      2.984624
  H      -6.662960      0.665471      6.954854
  H      -7.956868      1.254186      1.874801
  N      -4.237722      1.676492      2.380308
  H      -3.729493      0.888025      1.964595
  H      -3.979411      2.517888      1.857526
  H      -5.232041      1.518867      2.188601
90
Coordinates from ORCA-job orca E -6670.670738661574
  N      -2.022048      0.944670      4.298069
  Mo     -3.924413      1.738134      4.612524
  N      -4.607532      1.104632      6.452882
  C      -3.817709      0.961672      7.652560
  C      -2.413508      1.429342      7.264050
  N      -2.509142      2.514521      6.242874
  C      -1.189913      2.746979      5.579494
  C      -0.776402      1.534004      4.731719
  C      -3.002701      3.810541      6.831606
  C      -4.209291      4.330463      6.050816
  N      -4.118224      3.834145      4.676376
  H      -0.163911      1.886127      3.885926
  H      -0.172108      0.811294      5.302991
  H      -1.335225      3.618851      4.928196
  H      -0.423497      3.001643      6.330843
  H      -5.142858      3.943056      6.487355
  H      -4.250380      5.428933      6.074578
  H      -3.261498      3.650933      7.886640
  H      -2.179782      4.538407      6.802443
  H      -3.778575     -0.078153      8.016072
  H      -4.244759      1.582357      8.458193
  H      -1.867521      0.596354      6.805520
  H      -1.839171      1.778226      8.138383
  C      -8.883033     -1.574809     -0.059573
  C      -7.484284     -1.430218      0.486470
  O      -6.531118     -1.193916     -0.252077
  C      -7.274584     -1.593289      1.960522
  C      -8.321780     -1.840278      2.863312
  C      -8.059212     -2.027991      4.218563
  C      -6.741798     -1.984144      4.659210
  F      -6.489762     -2.174083      5.977242
  C      -5.672812     -1.721019      3.800434
  C      -4.232812     -1.721144      4.239873
  O      -3.670883     -2.761763      4.591752
  N      -3.640261     -0.487063      4.150500
  C      -2.294199     -0.339710      4.158082
  C      -5.964237     -1.517189      2.452589
  C      -8.914707     10.739058      0.405158
  C      -8.097378      9.468607      0.480475
  O      -8.239144      8.579299     -0.356852
  C      -7.123403      9.314296      1.602025
  C      -7.029826     10.233911      2.660552
  C      -6.129528     10.018993      3.700307
  C      -5.336991      8.873609      3.687370
  F      -4.465339      8.707532      4.705891
  C      -5.392570      7.933070      2.648830
  C      -4.599190      6.655032      2.592005
  O      -4.138868      6.280033      1.501853
  N      -4.542919      5.982774      3.792446
  C      -4.266789      4.690645      3.675204
  C      -6.282164      8.194151      1.605191
  C      -8.340674      3.859220     -1.377634
  C      -8.272695      2.838633     -0.265156
  O      -8.443920      1.642879     -0.492377
  C      -7.996520      3.315498      1.123982
  C      -7.933140      4.680965      1.446049
  C      -7.723872      5.086650      2.761338
  C      -7.550518      4.114220      3.736777
  F      -7.365200      4.511874      5.018007
  C      -7.577568      2.742036      3.458121
  C      -7.434864      1.761235      4.596410
  O      -8.435308      1.224705      5.086678
  N      -6.154512      1.619720      5.051892
  C      -5.907399      1.068525      6.279374
  C      -7.825188      2.360261      2.141449
  H      -9.539031     -0.804021      0.371063
  H      -8.857933     -1.451974     -1.146969
  H      -9.303495     -2.558285      0.198912
  H      -9.354403     -1.879402      2.516820
  H      -8.860194     -2.195002      4.938046
  H      -1.567926     -1.160370      4.116596
  H      -5.157392     -1.324037      1.743253
  H      -9.529761     10.862283      1.309551
  H      -8.259367     11.620752      0.338041
  H      -9.565844     10.696837     -0.474280
  H      -7.660356     11.122983      2.682964
  H      -6.030396     10.723972      4.526194
  H      -4.190880      4.265022      2.665557
  H      -6.334798      7.491068      0.773187
  H      -8.500016      3.341315     -2.329261
  H      -7.415249      4.452424     -1.426970
  H      -9.164664      4.568780     -1.206396
  H      -8.060770      5.441297      0.674972
  H      -7.685002      6.139142      3.039592
  H      -6.661377      0.665030      6.962948
  H      -7.894178      1.302115      1.881538
  N      -4.269806      1.671466      2.378845
  H      -3.766576      0.883688      1.955628
  H      -4.018048      2.514102      1.854512
  H      -5.268248      1.515953      2.201153
90
Coordinates from ORCA-job orca E -6670.670820547379
  N      -2.022633      0.961485      4.279833
  Mo     -3.932107      1.735452      4.602717
  N      -4.615241      1.090458      6.438818
  C      -3.822358      0.932699      7.634551
  C      -2.420713      1.413457      7.251063
  N      -2.524314      2.507140      6.240167
  C      -1.206981      2.758507      5.579908
  C      -0.782454      1.559108      4.718004
  C      -3.029083      3.793334      6.840184
  C      -4.225506      4.322486      6.048635
  N      -4.123813      3.831583      4.672950
  H      -0.175473      1.927059      3.875017
  H      -0.169499      0.836513      5.280058
  H      -1.359953      3.636819      4.939199
  H      -0.443196      3.010999      6.334641
  H      -5.164730      3.937175      6.474554
  H      -4.262510      5.420990      6.076357
  H      -3.304539      3.617034      7.888204
  H      -2.206804      4.522588      6.835832
  H      -3.777304     -0.112775      7.980874
  H      -4.251071      1.537810      8.450957
  H      -1.868486      0.588556      6.785345
  H      -1.849293      1.758047      8.129050
  C      -8.927150     -1.559904     -0.005833
  C      -7.517472     -1.434199      0.516317
  O      -6.573795     -1.212949     -0.238801
  C      -7.283774     -1.604588      1.986186
  C      -8.316084     -1.853070      2.905505
  C      -8.031435     -2.044479      4.255757
  C      -6.707073     -2.001184      4.674803
  F      -6.433297     -2.195519      5.988056
  C      -5.652320     -1.735331      3.799489
  C      -4.206233     -1.727236      4.219314
  O      -3.629581     -2.766768      4.549569
  N      -3.626828     -0.486483      4.135993
  C      -2.282452     -0.325299      4.137196
  C      -5.965271     -1.530663      2.456719
  C      -8.911302     10.730747      0.389420
  C      -8.090910      9.462421      0.468705
  O      -8.218249      8.577649     -0.375661
  C      -7.123589      9.309747      1.596257
  C      -7.042227     10.225966      2.659019
  C      -6.148503     10.011422      3.704398
  C      -5.350425      8.869831      3.693051
  F      -4.485789      8.703765      4.717675
  C      -5.393263      7.933425      2.650556
  C      -4.594506      6.658834      2.594838
  O      -4.121318      6.291759      1.507497
  N      -4.545154      5.982762      3.793614
  C      -4.265032      4.691737      3.673887
  C      -6.276374      8.194306      1.601226
  C      -8.279760      3.883060     -1.387232
  C      -8.223441      2.858678     -0.277461
  O      -8.388625      1.663247     -0.510901
  C      -7.971029      3.332086      1.117311
  C      -7.915284      4.696760      1.444437
  C      -7.722341      5.098836      2.763344
  C      -7.557710      4.123750      3.737653
  F      -7.384458      4.517394      5.021767
  C      -7.580530      2.752436      3.454912
  C      -7.443152      1.768862      4.591648
  O      -8.446201      1.237280      5.081967
  N      -6.162852      1.619759      5.044557
  C      -5.915516      1.059617      6.267801
  C      -7.811872      2.374180      2.134272
  H      -9.568994     -0.789314      0.445842
  H      -8.920403     -1.426500     -1.092162
  H      -9.351532     -2.542612      0.249783
  H      -9.354198     -1.889798      2.575545
  H      -8.820557     -2.212822      4.987932
  H      -1.547539     -1.138001      4.090892
  H      -5.170237     -1.334289      1.734950
  H      -9.532350     10.851697      1.289917
  H      -8.257663     11.614120      0.327113
  H      -9.556414     10.687589     -0.494404
  H      -7.677453     11.111716      2.680099
  H      -6.058943     10.713774      4.533613
  H      -4.177232      4.270696      2.663170
  H      -6.318339      7.494205      0.766090
  H      -8.425067      3.368207     -2.342744
  H      -7.355228      4.478699     -1.422374
  H      -9.107846      4.589740     -1.224104
  H      -8.033674      5.459519      0.674276
  H      -7.687795      6.150692      3.044534
  H      -6.668895      0.653860      6.950628
  H      -7.874696      1.316764      1.870024
  N      -4.292932      1.668871      2.372101
  H      -3.787394      0.885028      1.944585
  H      -4.049868      2.513613      1.846950
  H      -5.291362      1.508458      2.199870
90
Coordinates from ORCA-job orca E -6670.670933077698
  N      -2.020950      0.984944      4.258673
  Mo     -3.940796      1.731942      4.590391
  N      -4.629494      1.072295      6.419703
  C      -3.835100      0.895090      7.611481
  C      -2.435549      1.392356      7.238259
  N      -2.546144      2.496082      6.239697
  C      -1.229135      2.771810      5.588332
  C      -0.789079      1.591996      4.707448
  C      -3.064654      3.770090      6.853227
  C      -4.243561      4.314752      6.044658
  N      -4.126888      3.828507      4.668713
  H      -0.187054      1.981557      3.870631
  H      -0.166492      0.868497      5.257543
  H      -1.389423      3.659709      4.962978
  H      -0.471111      3.019169      6.350489
  H      -5.192094      3.936361      6.455495
  H      -4.271439      5.413395      6.075861
  H      -3.365236      3.571578      7.890063
  H      -2.241856      4.498208      6.884106
  H      -3.782776     -0.157746      7.933932
  H      -4.267474      1.478366      8.441533
  H      -1.874227      0.577406      6.765698
  H      -1.870315      1.731907      8.122250
  C      -8.978020     -1.519985      0.066704
  C      -7.554880     -1.426717      0.558377
  O      -6.623385     -1.218900     -0.215349
  C      -7.291476     -1.610584      2.021736
  C      -8.303745     -1.862084      2.962203
  C      -7.989237     -2.061906      4.304608
  C      -6.655918     -2.021039      4.694627
  F      -6.353888     -2.221411      6.000944
  C      -5.620458     -1.750840      3.797719
  C      -4.166865     -1.734632      4.190212
  O      -3.572144     -2.772606      4.491346
  N      -3.604584     -0.485004      4.119357
  C      -2.263736     -0.305160      4.112963
  C      -5.963044     -1.541449      2.463296
  C      -8.908165     10.716530      0.377791
  C      -8.081419      9.452400      0.458632
  O      -8.203761      8.566385     -0.385192
  C      -7.119439      9.302618      1.590995
  C      -7.052512     10.214301      2.659156
  C      -6.165156     10.000624      3.709881
  C      -5.359359      8.864467      3.699177
  F      -4.501957      8.698751      4.730103
  C      -5.386695      7.933751      2.651724
  C      -4.581417      6.663262      2.596262
  O      -4.095350      6.304496      1.511958
  N      -4.542936      5.981695      3.792525
  C      -4.257249      4.691944      3.670612
  C      -6.263757      8.193858      1.596683
  C      -8.217624      3.899033     -1.406120
  C      -8.189113      2.874248     -0.295556
  O      -8.354136      1.679442     -0.532321
  C      -7.953742      3.345888      1.102673
  C      -7.901890      4.710214      1.431907
  C      -7.722290      5.110524      2.753215
  C      -7.564679      4.134669      3.727752
  F      -7.399699      4.527084      5.013355
  C      -7.586551      2.763752      3.443684
  C      -7.455957      1.779234      4.580537
  O      -8.460969      1.244776      5.063622
  N      -6.175910      1.621243      5.031539
  C      -5.929715      1.047611      6.248193
  C      -7.805189      2.387126      2.120432
  H      -9.599681     -0.752345      0.550429
  H      -8.994723     -1.365384     -1.016528
  H      -9.410569     -2.501597      0.313559
  H      -9.348579     -1.895219      2.653935
  H      -8.762083     -2.233839      5.053197
  H      -1.516988     -1.106839      4.062826
  H      -5.184022     -1.341782      1.725318
  H      -9.531444     10.834634      1.277061
  H      -8.258457     11.602860      0.316570
  H      -9.551275     10.669908     -0.507325
  H      -7.694327     11.095319      2.679786
  H      -6.087046     10.699641      4.543075
  H      -4.150677      4.276114      2.659221
  H      -6.292470      7.497635      0.757738
  H      -8.350236      3.385618     -2.364222
  H      -7.288040      4.487571     -1.424865
  H      -9.042797      4.612087     -1.256661
  H      -8.012694      5.474676      0.662244
  H      -7.690770      6.162270      3.034807
  H      -6.683662      0.639758      6.929196
  H      -7.867071      1.330101      1.854895
  N      -4.315302      1.665635      2.362744
  H      -3.804247      0.886833      1.932530
  H      -4.078059      2.512709      1.838312
  H      -5.312762      1.500837      2.186907
90
Coordinates from ORCA-job orca E -6670.671026053052
  N      -2.015800      1.016196      4.238301
  Mo     -3.948852      1.729621      4.574723
  N      -4.646067      1.051009      6.393923
  C      -3.852691      0.855676      7.583391
  C      -2.455598      1.373293      7.225095
  N      -2.573513      2.487965      6.240357
  C      -1.256121      2.792137      5.602039
  C      -0.795191      1.635002      4.702033
  C      -3.112313      3.746818      6.867455
  C      -4.272045      4.305485      6.038973
  N      -4.134568      3.825868      4.662642
  H      -0.196870      2.048630      3.874101
  H      -0.162764      0.911723      5.241030
  H      -1.424119      3.689650      4.992714
  H      -0.506343      3.034933      6.373738
  H      -5.230281      3.931599      6.430728
  H      -4.293469      5.404048      6.075341
  H      -3.441001      3.522779      7.890193
  H      -2.292450      4.475565      6.938593
  H      -3.791210     -0.203954      7.881237
  H      -4.292657      1.415042      8.425687
  H      -1.881983      0.570768      6.745775
  H      -1.899698      1.707504      8.117056
  C      -9.025508     -1.505613      0.148370
  C      -7.587595     -1.457624      0.602366
  O      -6.669844     -1.290468     -0.196938
  C      -7.291637     -1.632567      2.061018
  C      -8.282156     -1.871446      3.027555
  C      -7.936054     -2.064363      4.363274
  C      -6.593387     -2.025203      4.720488
  F      -6.260250     -2.215662      6.021117
  C      -5.579158     -1.765129      3.796746
  C      -4.117990     -1.738642      4.158866
  O      -3.505351     -2.772897      4.434844
  N      -3.575000     -0.479937      4.099579
  C      -2.237737     -0.277583      4.088633
  C      -5.952833     -1.566038      2.469568
  C      -8.885955     10.735781      0.376687
  C      -8.064570      9.468192      0.458767
  O      -8.178317      8.589393     -0.393706
  C      -7.108440      9.312641      1.595299
  C      -7.049603     10.217541      2.669972
  C      -6.168731      9.998110      3.724757
  C      -5.361114      8.863331      3.711853
  F      -4.509755      8.692830      4.747093
  C      -5.379564      7.939857      2.658075
  C      -4.573103      6.670103      2.599479
  O      -4.079708      6.318080      1.516309
  N      -4.544888      5.981443      3.791945
  C      -4.251910      4.693578      3.666337
  C      -6.250676      8.205549      1.599037
  C      -8.182437      3.906277     -1.433774
  C      -8.171345      2.880008     -0.324346
  O      -8.347867      1.687319     -0.563161
  C      -7.944184      3.348635      1.076275
  C      -7.892531      4.712246      1.408450
  C      -7.721178      5.109640      2.731751
  C      -7.569905      4.131907      3.705248
  F      -7.410135      4.521344      4.992295
  C      -7.593072      2.761668      3.418791
  C      -7.468969      1.774934      4.554787
  O      -8.477472      1.248638      5.039515
  N      -6.190045      1.612155      5.007242
  C      -5.945854      1.027125      6.218548
  C      -7.803688      2.387815      2.093423
  H      -9.613421     -0.724132      0.651897
  H      -9.066492     -1.347429     -0.933526
  H      -9.479581     -2.475234      0.404717
  H      -9.333946     -1.902204      2.743901
  H      -8.691215     -2.228870      5.131464
  H      -1.476966     -1.065878      4.035937
  H      -5.191473     -1.374070      1.711131
  H      -9.517513     10.851168      1.270458
  H      -8.232442     11.620027      0.326746
  H      -9.520554     10.696141     -0.514886
  H      -7.692954     11.097384      2.692296
  H      -6.097241     10.691886      4.562927
  H      -4.123520      4.284278      2.654249
  H      -6.271978      7.514423      0.755583
  H      -8.314076      3.395543     -2.393417
  H      -7.246836      4.485433     -1.445516
  H      -9.001164      4.627627     -1.288453
  H      -7.998207      5.478862      0.640327
  H      -7.690755      6.161128      3.014781
  H      -6.700431      0.612749      6.894937
  H      -7.867854      1.331450      1.825885
  N      -4.337780      1.661680      2.350583
  H      -3.821388      0.888544      1.916472
  H      -4.109540      2.511759      1.826671
  H      -5.334398      1.490495      2.175144
90
Coordinates from ORCA-job orca E -6670.671116828598
  N      -2.012363      1.047735      4.221230
  Mo     -3.957864      1.727550      4.560488
  N      -4.663152      1.030696      6.368634
  C      -3.870943      0.816194      7.555435
  C      -2.476799      1.354465      7.212485
  N      -2.602482      2.480593      6.242461
  C      -1.285278      2.813358      5.617432
  C      -0.803294      1.679568      4.698564
  C      -3.163843      3.722881      6.882848
  C      -4.302274      4.296951      6.033311
  N      -4.143798      3.823471      4.657045
  H      -0.209891      2.117117      3.879376
  H      -0.160256      0.957620      5.226607
  H      -1.461505      3.719829      5.024002
  H      -0.543512      3.051794      6.398163
  H      -5.270945      3.929405      6.404996
  H      -4.316045      5.395341      6.075093
  H      -3.522474      3.471726      7.888881
  H      -2.348841      4.451796      6.997548
  H      -3.800783     -0.249603      7.828203
  H      -4.318294      1.351507      8.409333
  H      -1.891153      0.565381      6.725173
  H      -1.930139      1.682257      8.112531
  C      -9.072702     -1.481109      0.237838
  C      -7.622375     -1.467228      0.652338
  O      -6.723180     -1.320288     -0.171548
  C      -7.291183     -1.645173      2.103516
  C      -8.258806     -1.888406      3.091898
  C      -7.881592     -2.087361      4.418185
  C      -6.531037     -2.045451      4.744119
  F      -6.166704     -2.241768      6.036130
  C      -5.539100     -1.779269      3.798467
  C      -4.071025     -1.741313      4.131103
  O      -3.439238     -2.771623      4.375484
  N      -3.547135     -0.473949      4.084207
  C      -2.213114     -0.249671      4.068378
  C      -5.943202     -1.577999      2.480695
  C      -8.867426     10.761310      0.389023
  C      -8.049927      9.491020      0.466490
  O      -8.170960      8.612729     -0.385575
  C      -7.095096      9.327926      1.602983
  C      -7.034093     10.229245      2.680333
  C      -6.154506     10.004032      3.735082
  C      -5.350072      8.867152      3.719143
  F      -4.499652      8.691166      4.754149
  C      -5.371192      7.946595      2.662592
  C      -4.568280      6.674460      2.600791
  O      -4.075087      6.323775      1.517221
  N      -4.547725      5.980622      3.790271
  C      -4.248021      4.694402      3.662205
  C      -6.240992      8.217820      1.603909
  C      -8.149762      3.895165     -1.469950
  C      -8.147454      2.871215     -0.358645
  O      -8.321923      1.678042     -0.596200
  C      -7.932728      3.343054      1.043122
  C      -7.885857      4.707251      1.372945
  C      -7.724533      5.107257      2.696832
  C      -7.578679      4.131779      3.673259
  F      -7.427830      4.524198      4.960296
  C      -7.597510      2.760924      3.389543
  C      -7.480195      1.775932      4.528329
  O      -8.492814      1.257675      5.013265
  N      -6.203150      1.606476      4.983109
  C      -5.962673      1.010651      6.189699
  C      -7.798815      2.384415      2.063381
  H      -9.632656     -0.694162      0.764693
  H      -9.140444     -1.310936     -0.840862
  H      -9.538307     -2.444354      0.498009
  H      -9.316921     -1.919685      2.832868
  H      -8.618526     -2.258219      5.202508
  H      -1.439149     -1.024872      4.013817
  H      -5.200198     -1.382632      1.704773
  H      -9.496604     10.877849      1.284334
  H      -8.210433     11.643019      0.339446
  H      -9.504097     10.725952     -0.501231
  H      -7.674653     11.111016      2.705381
  H      -6.081892     10.695062      4.575427
  H      -4.100711      4.289982      2.650410
  H      -6.265271      7.528689      0.758992
  H      -8.272426      3.382381     -2.429678
  H      -7.215166      4.476016     -1.474063
  H      -8.970512      4.616137     -1.333745
  H      -7.987072      5.472279      0.602719
  H      -7.697735      6.159364      2.978350
  H      -6.719093      0.590380      6.860427
  H      -7.860173      1.327427      1.797186
  N      -4.355044      1.657895      2.338856
  H      -3.833159      0.889794      1.902169
  H      -4.133620      2.511139      1.816846
  H      -5.349710      1.480250      2.161989
90
Coordinates from ORCA-job orca E -6670.671194753813
  N      -2.005918      1.076414      4.209657
  Mo     -3.964981      1.720745      4.547568
  N      -4.678404      1.005200      6.343927
  C      -3.888380      0.773360      7.528743
  C      -2.498364      1.334383      7.203171
  N      -2.631865      2.471103      6.246987
  C      -1.314556      2.832500      5.638104
  C      -0.809816      1.721831      4.702674
  C      -3.218841      3.695025      6.898254
  C      -4.333585      4.285495      6.026923
  N      -4.155590      3.815666      4.651889
  H      -0.219724      2.181906      3.893513
  H      -0.157338      1.002188      5.222126
  H      -1.497625      3.746831      5.059103
  H      -0.582142      3.066960      6.428783
  H      -5.313388      3.927851      6.378664
  H      -4.337336      5.383702      6.072705
  H      -3.609438      3.415873      7.884717
  H      -2.411268      4.423758      7.060016
  H      -3.807999     -0.297653      7.776735
  H      -4.345059      1.283719      8.392952
  H      -1.899044      0.559832      6.709083
  H      -1.962583      1.656548      8.111807
  C      -9.107349     -1.430993      0.328977
  C      -7.646559     -1.450181      0.704065
  O      -6.766851     -1.318525     -0.143021
  C      -7.281066     -1.644844      2.144881
  C      -8.226635     -1.902237      3.150693
  C      -7.820368     -2.119904      4.465359
  C      -6.463050     -2.077136      4.762283
  F      -6.069498     -2.289245      6.043759
  C      -5.492709     -1.795125      3.799109
  C      -4.018726     -1.746380      4.103636
  O      -3.369227     -2.771858      4.318832
  N      -3.514165     -0.470606      4.071081
  C      -2.184629     -0.224390      4.054630
  C      -5.925072     -1.579906      2.492721
  C      -8.840415     10.783215      0.378777
  C      -8.032575      9.506906      0.457366
  O      -8.158076      8.629959     -0.395481
  C      -7.081874      9.335675      1.596109
  C      -7.017961     10.235365      2.674296
  C      -6.141701     10.004345      3.730783
  C      -5.343118      8.863448      3.715069
  F      -4.495070      8.682105      4.750994
  C      -5.368168      7.943599      2.657648
  C      -4.570408      6.668079      2.595726
  O      -4.079371      6.315264      1.511789
  N      -4.556450      5.972255      3.784293
  C      -4.249506      4.687627      3.656899
  C      -6.234541      8.220218      1.597810
  C      -8.143955      3.906434     -1.490135
  C      -8.146761      2.879699     -0.381667
  O      -8.313630      1.686397     -0.623567
  C      -7.933970      3.347306      1.022088
  C      -7.889561      4.710293      1.356926
  C      -7.731760      5.105695      2.682749
  C      -7.587957      4.126750      3.656080
  F      -7.441403      4.514604      4.944970
  C      -7.603269      2.756882      3.367099
  C      -7.489359      1.766886      4.501969
  O      -8.504668      1.250402      4.983401
  N      -6.214196      1.592863      4.959217
  C      -5.977296      0.984239      6.159792
  C      -7.800620      2.385127      2.039046
  H      -9.638528     -0.638592      0.877546
  H      -9.200883     -1.248327     -0.745787
  H      -9.584715     -2.387476      0.592824
  H      -9.290202     -1.931686      2.914998
  H      -8.539822     -2.305543      5.262524
  H      -1.397390     -0.986143      4.000541
  H      -5.200104     -1.373163      1.702744
  H      -9.474413     10.901691      1.270499
  H      -8.176851     11.660342      0.336263
  H      -9.472064     10.755294     -0.515295
  H      -7.653360     11.120837      2.699345
  H      -6.067158     10.694088      4.572011
  H      -4.085351      4.286128      2.646526
  H      -6.262311      7.531724      0.752445
  H      -8.258228      3.395806     -2.452043
  H      -7.211585      4.490837     -1.485387
  H      -8.967952      4.624651     -1.358641
  H      -7.990492      5.477802      0.589192
  H      -7.707365      6.156851      2.968682
  H      -6.735231      0.554637      6.822962
  H      -7.860725      1.329001      1.768604
  N      -4.362110      1.649979      2.327304
  H      -3.832644      0.888023      1.888752
  H      -4.146106      2.507808      1.810194
  H      -5.354468      1.464972      2.145918
90
Coordinates from ORCA-job orca E -6670.671271693061
  N      -2.003371      1.108598      4.196561
  Mo     -3.975057      1.717591      4.534263
  N      -4.693845      0.982188      6.318411
  C      -3.904160      0.730959      7.499502
  C      -2.519368      1.315201      7.191215
  N      -2.662263      2.463411      6.250506
  C      -1.346462      2.853602      5.657408
  C      -0.820075      1.766774      4.704965
  C      -3.275192      3.666645      6.912741
  C      -4.364721      4.277553      6.021598
  N      -4.171564      3.811156      4.647385
  H      -0.234157      2.249157      3.906003
  H      -0.158158      1.049415      5.215488
  H      -1.536495      3.775538      5.092985
  H      -0.622495      3.083308      6.457183
  H      -5.356237      3.934741      6.354632
  H      -4.353941      5.375475      6.071691
  H      -3.698451      3.358265      7.876772
  H      -2.476927      4.393329      7.124536
  H      -3.813059     -0.344849      7.721215
  H      -4.369267      1.214560      8.374625
  H      -1.906776      0.556547      6.688797
  H      -1.993372      1.630026      8.108189
  C      -9.132586     -1.414300      0.410130
  C      -7.663690     -1.465158      0.749602
  O      -6.802230     -1.346549     -0.117776
  C      -7.267600     -1.664785      2.181397
  C      -8.192844     -1.931642      3.203205
  C      -7.760983     -2.158309      4.508189
  C      -6.398405     -2.110321      4.779403
  F      -5.978711     -2.328398      6.051946
  C      -5.448260     -1.814813      3.800362
  C      -3.970058     -1.747649      4.081333
  O      -3.300665     -2.765111      4.271057
  N      -3.486464     -0.463248      4.057172
  C      -2.161005     -0.195254      4.041393
  C      -5.905194     -1.595152      2.503257
  C      -8.806622     10.824352      0.377970
  C      -8.006726      9.542733      0.451928
  O      -8.141718      8.667281     -0.400931
  C      -7.061139      9.359055      1.593122
  C      -6.989657     10.256575      2.672315
  C      -6.117262     10.015449      3.729954
  C      -5.330280      8.866535      3.713925
  F      -4.484893      8.675693      4.750282
  C      -5.363890      7.947942      2.655372
  C      -4.576134      6.666278      2.592233
  O      -4.090160      6.310722      1.506638
  N      -4.566574      5.968811      3.780359
  C      -4.256403      4.684763      3.653308
  C      -6.225789      8.234610      1.594914
  C      -8.152333      3.903074     -1.510922
  C      -8.142512      2.876680     -0.402285
  O      -8.307010      1.682721     -0.642390
  C      -7.932888      3.346879      1.001250
  C      -7.889381      4.710256      1.334815
  C      -7.735142      5.107175      2.660669
  C      -7.596547      4.128935      3.635718
  F      -7.456194      4.517597      4.924981
  C      -7.610448      2.758792      3.347940
  C      -7.500573      1.768649      4.482939
  O      -8.518808      1.253466      4.960122
  N      -6.226502      1.584952      4.938323
  C      -5.992411      0.961205      6.131455
  C      -7.802350      2.385842      2.019493
  H      -9.636933     -0.618701      0.979247
  H      -9.248097     -1.218582     -0.660247
  H      -9.621148     -2.365005      0.674116
  H      -9.260699     -1.962711      2.988439
  H      -8.464471     -2.354570      5.316990
  H      -1.360941     -0.943665      3.988307
  H      -5.197079     -1.380018      1.700311
  H      -9.446178     10.938343      1.266470
  H      -8.138769     11.698582      0.347530
  H      -9.432932     10.806908     -0.520107
  H      -7.615915     11.148540      2.697729
  H      -6.036725     10.703258      4.572202
  H      -4.079709      4.285788      2.644054
  H      -6.259872      7.548100      0.748322
  H      -8.265724      3.391246     -2.472297
  H      -7.224792      4.495137     -1.509063
  H      -8.981809      4.614717     -1.377541
  H      -7.987152      5.476652      0.565461
  H      -7.710581      6.158530      2.946149
  H      -6.751123      0.521390      6.787038
  H      -7.860602      1.329553      1.749287
  N      -4.377835      1.644975      2.317052
  H      -3.838796      0.893376      1.872490
  H      -4.176430      2.509760      1.805641
  H      -5.368074      1.445952      2.139452
90
Coordinates from ORCA-job orca E -6670.671358556982
  N      -2.001671      1.130824      4.187409
  Mo     -3.983917      1.712112      4.525135
  N      -4.706812      0.959575      6.298707
  C      -3.917438      0.690864      7.476045
  C      -2.537168      1.294688      7.184245
  N      -2.685535      2.451936      6.255372
  C      -1.370551      2.863111      5.677175
  C      -0.828385      1.796201      4.710360
  C      -3.316370      3.638564      6.925144
  C      -4.379090      4.274879      6.018146
  N      -4.182796      3.804702      4.645768
  H      -0.244601      2.296147      3.920921
  H      -0.160480      1.079126      5.213432
  H      -1.563210      3.792148      5.125473
  H      -0.653389      3.085848      6.485006
  H      -5.382867      3.958429      6.339851
  H      -4.343231      5.372337      6.067420
  H      -3.770076      3.306844      7.867299
  H      -2.524477      4.358125      7.181482
  H      -3.816539     -0.388823      7.673322
  H      -4.390083      1.149127      8.360769
  H      -1.912790      0.549145      6.676842
  H      -2.020483      1.603718      8.108526
  C      -9.150418     -1.379889      0.478470
  C      -7.676333     -1.454107      0.791760
  O      -6.828476     -1.336094     -0.089005
  C      -7.257150     -1.672339      2.213696
  C      -8.165057     -1.958570      3.245510
  C      -7.711635     -2.202451      4.540354
  C      -6.345337     -2.148264      4.791720
  F      -5.904612     -2.378801      6.054856
  C      -5.412555     -1.832169      3.802330
  C      -3.931601     -1.750354      4.063302
  O      -3.246485     -2.760669      4.233576
  N      -3.465087     -0.458991      4.046687
  C      -2.143971     -0.175004      4.033353
  C      -5.890259     -1.599060      2.515337
  C      -8.794902     10.825003      0.355527
  C      -8.003356      9.538429      0.434755
  O      -8.147863      8.658342     -0.411633
  C      -7.055000      9.355795      1.573971
  C      -6.973188     10.259987      2.646856
  C      -6.099318     10.019115      3.703349
  C      -5.320959      8.864220      3.692291
  F      -4.473544      8.673909      4.727134
  C      -5.364233      7.939454      2.639514
  C      -4.584798      6.652743      2.581061
  O      -4.102270      6.291123      1.495611
  N      -4.573418      5.961405      3.773194
  C      -4.264058      4.676760      3.650229
  C      -6.227862      8.225432      1.580432
  C      -8.145384      3.953946     -1.510456
  C      -8.133932      2.916237     -0.412233
  O      -8.288139      1.723612     -0.665403
  C      -7.928995      3.373047      0.996399
  C      -7.888224      4.733164      1.343857
  C      -7.740063      5.117143      2.674091
  C      -7.605097      4.128927      3.639882
  F      -7.472111      4.504204      4.933993
  C      -7.616021      2.761806      3.338241
  C      -7.508476      1.758935      4.461973
  O      -8.528863      1.240201      4.931380
  N      -6.235995      1.571460      4.919868
  C      -6.005094      0.937369      6.108229
  C      -7.801088      2.402140      2.005335
  H      -9.633848     -0.584263      1.065182
  H      -9.281410     -1.171034     -0.587624
  H      -9.648259     -2.326548      0.739418
  H      -9.235964     -1.991815      3.047199
  H      -8.401349     -2.417239      5.356442
  H      -1.334360     -0.913382      3.982457
  H      -5.196446     -1.369061      1.704256
  H      -9.441597     10.938643      1.239080
  H      -8.123955     11.696880      0.333122
  H      -9.414647     10.811614     -0.547174
  H      -7.592931     11.156647      2.668542
  H      -6.010616     10.711600      4.540932
  H      -4.082847      4.276617      2.642451
  H      -6.269803      7.533919      0.738179
  H      -8.249358      3.451396     -2.477780
  H      -7.222488      4.553123     -1.497037
  H      -8.981444      4.657281     -1.374539
  H      -7.982792      5.506823      0.581397
  H      -7.716683      6.165635      2.970270
  H      -6.764548      0.487920      6.756366
  H      -7.856251      1.348841      1.724097
  N      -4.387931      1.640601      2.310002
  H      -3.837621      0.901478      1.858687
  H      -4.201049      2.513520      1.807108
  H      -5.375464      1.427117      2.133595
90
Coordinates from ORCA-job orca E -6670.671459023255
  N      -1.997535      1.150195      4.182363
  Mo     -3.987132      1.713251      4.519637
  N      -4.714374      0.942116      6.281245
  C      -3.927127      0.656786      7.456030
  C      -2.549864      1.275839      7.181512
  N      -2.699738      2.441752      6.263896
  C      -1.384915      2.867466      5.699191
  C      -0.831449      1.817738      4.719143
  C      -3.342647      3.614750      6.940419
  C      -4.377900      4.281500      6.021330
  N      -4.188815      3.804980      4.649553
  H      -0.248945      2.332790      3.938784
  H      -0.160173      1.098890      5.215185
  H      -1.577816      3.803375      5.159307
  H      -0.672905      3.081777      6.513877
  H      -5.393816      4.000734      6.337858
  H      -4.307855      5.377546      6.067492
  H      -3.824121      3.263939      7.861524
  H      -2.555081      4.323902      7.236260
  H      -3.818614     -0.426001      7.631471
  H      -4.407266      1.092362      8.348140
  H      -1.915116      0.541660      6.670456
  H      -2.042232      1.578508      8.112891
  C      -9.163467     -1.385210      0.523119
  C      -7.685600     -1.449439      0.822724
  O      -6.846719     -1.320825     -0.065253
  C      -7.250678     -1.684245      2.236404
  C      -8.144802     -1.992340      3.273752
  C      -7.675182     -2.245771      4.561120
  C      -6.307158     -2.179439      4.799825
  F      -5.851881     -2.415276      6.056291
  C      -5.387922     -1.842991      3.804406
  C      -3.905734     -1.746791      4.051390
  O      -3.208670     -2.750099      4.214607
  N      -3.451545     -0.450333      4.035226
  C      -2.131644     -0.156691      4.028763
  C      -5.881479     -1.600705      2.525085
  C      -8.771279     10.829965      0.326362
  C      -7.987838      9.539051      0.416028
  O      -8.131320      8.656603     -0.428039
  C      -7.042139      9.359070      1.557857
  C      -6.959028     10.267400      2.627253
  C      -6.089181     10.026432      3.687001
  C      -5.316287      8.867661      3.682495
  F      -4.473748      8.676215      4.721164
  C      -5.360403      7.939287      2.633112
  C      -4.585647      6.649844      2.580657
  O      -4.106622      6.282470      1.495521
  N      -4.572834      5.963171      3.775817
  C      -4.270416      4.676365      3.654743
  C      -6.219741      8.225536      1.570765
  C      -8.177415      3.993855     -1.508947
  C      -8.147385      2.946642     -0.419788
  O      -8.291142      1.754687     -0.682507
  C      -7.939008      3.394008      0.991334
  C      -7.896844      4.751713      1.347819
  C      -7.744359      5.126636      2.679919
  C      -7.607432      4.131898      3.638827
  F      -7.470780      4.499072      4.935079
  C      -7.619703      2.766890      3.328511
  C      -7.511061      1.754419      4.443536
  O      -8.530864      1.222106      4.899552
  N      -6.239392      1.563373      4.902470
  C      -6.011999      0.917381      6.085385
  C      -7.808119      2.416735      1.993469
  H      -9.648662     -0.605200      1.128750
  H      -9.305331     -1.160227     -0.538400
  H      -9.650845     -2.340935      0.770280
  H      -9.217476     -2.033499      3.086627
  H      -8.354028     -2.477702      5.381515
  H      -1.316532     -0.889380      3.981477
  H      -5.198576     -1.355681      1.709450
  H      -9.437887     10.936355      1.196168
  H      -8.099619     11.701265      0.326470
  H      -9.371695     10.823756     -0.589405
  H      -7.575012     11.166814      2.643589
  H      -5.999121     10.721483      4.522309
  H      -4.094325      4.274160      2.647188
  H      -6.261969      7.532212      0.730281
  H      -8.281308      3.498676     -2.480086
  H      -7.261404      4.603495     -1.496145
  H      -9.021172      4.685501     -1.361366
  H      -7.992142      5.530241      0.590214
  H      -7.717229      6.172680      2.983322
  H      -6.772539      0.457158      6.724607
  H      -7.863375      1.365736      1.704755
  N      -4.388445      1.648613      2.305436
  H      -3.818635      0.931678      1.842875
  H      -4.229351      2.533708      1.814843
  H      -5.370264      1.407990      2.132696
90
Coordinates from ORCA-job orca E -6670.671565014455
  N      -1.998645      1.160732      4.171157
  Mo     -3.994488      1.708800      4.513510
  N      -4.721471      0.921401      6.266761
  C      -3.932013      0.618219      7.435574
  C      -2.557121      1.250239      7.173161
  N      -2.710623      2.424168      6.266842
  C      -1.397958      2.863302      5.708996
  C      -0.837270      1.829469      4.715614
  C      -3.360381      3.585296      6.953395
  C      -4.365799      4.285959      6.024739
  N      -4.188847      3.800614      4.653758
  H      -0.260069      2.358926      3.941067
  H      -0.160082      1.109882      5.202464
  H      -1.595279      3.805401      5.181583
  H      -0.687354      3.070466      6.526842
  H      -5.392419      4.044252      6.338749
  H      -4.257161      5.379073      6.066493
  H      -3.869149      3.216498      7.852130
  H      -2.574920      4.279580      7.287966
  H      -3.816273     -0.467417      7.587981
  H      -4.414784      1.031266      8.336693
  H      -1.913955      0.525888      6.658518
  H      -2.055609      1.547540      8.109583
  C      -9.179949     -1.362946      0.568108
  C      -7.699438     -1.447139      0.850434
  O      -6.869510     -1.311587     -0.044969
  C      -7.250529     -1.693709      2.257354
  C      -8.131657     -2.011119      3.302988
  C      -7.646371     -2.267652      4.583965
  C      -6.276474     -2.194345      4.808969
  F      -5.807351     -2.430263      6.059931
  C      -5.369638     -1.851045      3.804493
  C      -3.885752     -1.748122      4.035688
  O      -3.181627     -2.747349      4.193264
  N      -3.441714     -0.448099      4.020685
  C      -2.126072     -0.146451      4.016210
  C      -5.878713     -1.606052      2.531886
  C      -8.779125     10.780378      0.273628
  C      -7.989618      9.494005      0.376137
  O      -8.122776      8.606085     -0.463803
  C      -7.047541      9.328071      1.523022
  C      -6.975089     10.243529      2.587671
  C      -6.109606     10.013441      3.653012
  C      -5.330271      8.858813      3.659300
  F      -4.492712      8.678007      4.703987
  C      -5.362596      7.924509      2.615242
  C      -4.581773      6.638866      2.573940
  O      -4.095550      6.267979      1.493262
  N      -4.568372      5.959998      3.773579
  C      -4.272413      4.671424      3.656697
  C      -6.218750      8.199582      1.547025
  C      -8.140455      4.096438     -1.483046
  C      -8.110507      3.027605     -0.414446
  O      -8.242368      1.840039     -0.702130
  C      -7.921724      3.449150      1.007306
  C      -7.889936      4.800161      1.389298
  C      -7.751693      5.151413      2.729231
  C      -7.617506      4.139876      3.670763
  F      -7.491269      4.483909      4.974937
  C      -7.621966      2.780881      3.335843
  C      -7.516078      1.747918      4.432497
  O      -8.536114      1.205724      4.876110
  N      -6.245783      1.554285      4.893842
  C      -6.019059      0.894253      6.069629
  C      -7.796485      2.454474      1.992866
  H      -9.648021     -0.587445      1.192627
  H      -9.330362     -1.122321     -0.488781
  H      -9.676370     -2.316350      0.806396
  H      -9.206109     -2.056221      3.126954
  H      -8.314893     -2.506723      5.410853
  H      -1.306346     -0.874075      3.968464
  H      -5.205611     -1.351956      1.711079
  H      -9.459884     10.878871      1.133470
  H      -8.115483     11.657496      0.284999
  H      -9.366032     10.769351     -0.650833
  H      -7.596228     11.139536      2.594715
  H      -6.026972     10.713933      4.484546
  H      -4.103328      4.266700      2.648503
  H      -6.251716      7.500548      0.710505
  H      -8.231340      3.620068     -2.464851
  H      -7.229868      4.713361     -1.451037
  H      -8.992065      4.776496     -1.327826
  H      -7.981656      5.591962      0.645296
  H      -7.731220      6.191965      3.051113
  H      -6.778538      0.424658      6.703113
  H      -7.843902      1.408888      1.683911
  N      -4.407751      1.649412      2.301825
  H      -3.827501      0.949709      1.826202
  H      -4.275564      2.542291      1.817567
  H      -5.386488      1.388443      2.141079
90
Coordinates from ORCA-job orca E -6670.671750077136
  N      -1.994655      1.175861      4.165923
  Mo     -3.996623      1.710272      4.505579
  N      -4.731151      0.907543      6.247735
  C      -3.944681      0.588574      7.414075
  C      -2.570826      1.231595      7.167509
  N      -2.725002      2.412653      6.271396
  C      -1.412061      2.865660      5.724949
  C      -0.840115      1.847538      4.721043
  C      -3.386731      3.561207      6.966191
  C      -4.355076      4.297227      6.022557
  N      -4.185336      3.802278      4.653183
  H      -0.266885      2.391811      3.953776
  H      -0.157596      1.128488      5.201090
  H      -1.613270      3.813314      5.209100
  H      -0.706310      3.066948      6.548554
  H      -5.392728      4.096251      6.328862
  H      -4.206318      5.385678      6.060450
  H      -3.928435      3.171921      7.836070
  H      -2.607212      4.239056      7.346535
  H      -3.823310     -0.499106      7.546633
  H      -4.432560      0.982405      8.320766
  H      -1.917970      0.516316      6.652215
  H      -2.078809      1.524328      8.110403
  C      -9.197676     -1.366566      0.621580
  C      -7.713957     -1.449133      0.886155
  O      -6.894774     -1.296434     -0.016515
  C      -7.249113     -1.705346      2.286125
  C      -8.116277     -2.034730      3.339800
  C      -7.614651     -2.292800      4.613793
  C      -6.243223     -2.209361      4.824884
  F      -5.759993     -2.446046      6.070223
  C      -5.349513     -1.856053      3.812121
  C      -3.864464     -1.744837      4.028692
  O      -3.153580     -2.739542      4.183560
  N      -3.429094     -0.441776      4.010131
  C      -2.115404     -0.131918      4.008747
  C      -5.875124     -1.609379      2.546499
  C      -8.769252     10.773489      0.259123
  C      -7.978682      9.488041      0.364645
  O      -8.111536      8.597737     -0.472958
  C      -7.038234      9.325025      1.513042
  C      -6.972952     10.239184      2.579592
  C      -6.111119     10.009942      3.647758
  C      -5.328288      8.857645      3.655358
  F      -4.494455      8.678148      4.703197
  C      -5.352673      7.925018      2.609690
  C      -4.569904      6.640457      2.570221
  O      -4.078812      6.269840      1.492007
  N      -4.559115      5.962131      3.770021
  C      -4.268392      4.672140      3.654384
  C      -6.205535      8.199394      1.538274
  C      -8.145641      4.140906     -1.490429
  C      -8.108693      3.061129     -0.432833
  O      -8.231343      1.875711     -0.732893
  C      -7.924646      3.469872      0.993264
  C      -7.897859      4.817554      1.386399
  C      -7.759303      5.157969      2.729017
  C      -7.620299      4.139568      3.662018
  F      -7.494451      4.474573      4.968931
  C      -7.622616      2.783357      3.316783
  C      -7.518699      1.740737      4.404904
  O      -8.538957      1.192717      4.840434
  N      -6.250663      1.549921      4.873761
  C      -6.027783      0.878932      6.044144
  C      -7.797024      2.467717      1.970919
  H      -9.660758     -0.604300      1.266080
  H      -9.360660     -1.109547     -0.429585
  H      -9.688056     -2.325659      0.849968
  H      -9.192208     -2.087877      3.174873
  H      -8.272168     -2.539864      5.447156
  H      -1.291402     -0.855005      3.964678
  H      -5.212199     -1.345459      1.720455
  H      -9.460333     10.863181      1.111804
  H      -8.109396     11.652983      0.283869
  H      -9.346034     10.765486     -0.671720
  H      -7.597154     11.133052      2.585250
  H      -6.033823     10.709436      4.480658
  H      -4.104168      4.264967      2.646033
  H      -6.232498      7.501348      0.700734
  H      -8.232836      3.674003     -2.477099
  H      -7.240023      4.764650     -1.452699
  H      -9.002589      4.812238     -1.327066
  H      -7.994640      5.614936      0.649337
  H      -7.742784      6.195823      3.059326
  H      -6.788625      0.401542      6.670124
  H      -7.842653      1.424624      1.652718
  N      -4.410510      1.654281      2.293593
  H      -3.815430      0.973150      1.809366
  H      -4.305636      2.553199      1.813577
  H      -5.382830      1.369143      2.137277
90
Coordinates from ORCA-job orca E -6670.671928227221
  N      -1.988976      1.185151      4.166362
  Mo     -3.994707      1.714907      4.501293
  N      -4.738039      0.901944      6.234486
  C      -3.956300      0.571859      7.400466
  C      -2.581670      1.220334      7.166910
  N      -2.733132      2.405566      6.276796
  C      -1.418470      2.865923      5.739358
  C      -0.838809      1.857454      4.729526
  C      -3.403160      3.546088      6.976848
  C      -4.333826      4.315815      6.018841
  N      -4.176019      3.807537      4.651775
  H      -0.268016      2.411709      3.967419
  H      -0.153342      1.138661      5.205606
  H      -1.621539      3.817352      5.231242
  H      -0.716749      3.062969      6.567561
  H      -5.380363      4.158395      6.320388
  H      -4.142725      5.397750      6.049824
  H      -3.975489      3.141582      7.819130
  H      -2.628758      4.206603      7.397437
  H      -3.832132     -0.517101      7.519721
  H      -4.448388      0.953435      8.309806
  H      -1.921203      0.510076      6.654180
  H      -2.098464      1.511062      8.114975
  C      -9.210036     -1.382350      0.656627
  C      -7.724298     -1.450241      0.912036
  O      -6.912109     -1.268292      0.008221
  C      -7.250378     -1.714733      2.307499
  C      -8.108522     -2.056492      3.364771
  C      -7.596967     -2.313590      4.634399
  C      -6.225434     -2.218622      4.838827
  F      -5.734876     -2.455234      6.081176
  C      -5.339715     -1.855779      3.822355
  C      -3.854497     -1.739704      4.031344
  O      -3.141403     -2.731765      4.191925
  N      -3.422171     -0.435597      4.004932
  C      -2.108542     -0.122749      4.007262
  C      -5.875882     -1.608473      2.561070
  C      -8.762595     10.772590      0.258973
  C      -7.970566      9.488046      0.363670
  O      -8.107233      8.595342     -0.470984
  C      -7.028771      9.326500      1.510825
  C      -6.969360     10.237206      2.581015
  C      -6.109049     10.007265      3.649847
  C      -5.321939      8.857860      3.655048
  F      -4.489542      8.678576      4.703960
  C      -5.339522      7.928903      2.606010
  C      -4.554846      6.645280      2.565231
  O      -4.059928      6.275769      1.488911
  N      -4.545111      5.966527      3.764499
  C      -4.261170      4.674687      3.650253
  C      -6.191211      8.204282      1.533365
  C      -8.163273      4.168183     -1.503196
  C      -8.117413      3.079963     -0.454393
  O      -8.231947      1.896264     -0.763877
  C      -7.933816      3.478957      0.974481
  C      -7.912005      4.824171      1.375121
  C      -7.768278      5.157221      2.718968
  C      -7.619685      4.134843      3.645463
  F      -7.490730      4.464897      4.953723
  C      -7.620594      2.780568      3.293689
  C      -7.517288      1.731338      4.375973
  O      -8.536906      1.178031      4.805619
  N      -6.251962      1.548813      4.855747
  C      -6.033382      0.871287      6.023155
  C      -7.799844      2.472023      1.946399
  H      -9.677693     -0.637537      1.318347
  H      -9.381982     -1.110205     -0.389306
  H      -9.687377     -2.351014      0.872707
  H      -9.184789     -2.120012      3.205006
  H      -8.247489     -2.567760      5.471111
  H      -1.283448     -0.844943      3.968322
  H      -5.218801     -1.334813      1.733389
  H      -9.461328     10.852374      1.106534
  H      -8.106601     11.654319      0.296155
  H      -9.332027     10.768748     -0.676408
  H      -7.597287     11.128413      2.588195
  H      -6.036094     10.704193      4.485300
  H      -4.106375      4.262984      2.641947
  H      -6.213261      7.508804      0.693659
  H      -8.249808      3.708567     -2.493329
  H      -7.262368      4.798428     -1.463663
  H      -9.024615      4.831501     -1.330678
  H      -8.018594      5.624975      0.643593
  H      -7.756604      6.193102      3.055041
  H      -6.796045      0.388365      6.642682
  H      -7.844880      1.430520      1.621904
  N      -4.404886      1.661616      2.287461
  H      -3.795381      0.998109      1.796624
  H      -4.326118      2.564566      1.809578
  H      -5.369920      1.352947      2.133812
90
Coordinates from ORCA-job orca E -6670.672290026306
  N      -1.969024      1.204968      4.158376
  Mo     -3.986807      1.695834      4.466917
  N      -4.753434      0.846560      6.171417
  C      -3.986887      0.497467      7.341404
  C      -2.619404      1.172092      7.144808
  N      -2.775925      2.371911      6.274360
  C      -1.459233      2.868777      5.773769
  C      -0.842659      1.892807      4.751929
  C      -3.488948      3.480520      6.979306
  C      -4.375439      4.280531      6.003015
  N      -4.187789      3.784820      4.635912
  H      -0.271991      2.473915      4.010349
  H      -0.149910      1.179422      5.225280
  H      -1.669414      3.827552      5.283109
  H      -0.778023      3.059032      6.620178
  H      -5.433381      4.135574      6.268431
  H      -4.169145      5.358582      6.054604
  H      -4.103881      3.035885      7.769934
  H      -2.744493      4.127045      7.471679
  H      -3.852215     -0.592123      7.437730
  H      -4.496900      0.853523      8.251439
  H      -1.938536      0.483621      6.629780
  H      -2.158756      1.451187      8.107740
  C      -9.277073     -1.304881      0.850760
  C      -7.781876     -1.391698      1.035005
  O      -7.012366     -1.223708      0.092382
  C      -7.246657     -1.687977      2.401846
  C      -8.062945     -2.035273      3.490128
  C      -7.500886     -2.321243      4.732034
  C      -6.120237     -2.248279      4.876241
  F      -5.578390     -2.504285      6.094499
  C      -5.275665     -1.875443      3.829213
  C      -3.784960     -1.750391      3.988353
  O      -3.057023     -2.736069      4.118992
  N      -3.372836     -0.440364      3.966289
  C      -2.062272     -0.103408      3.983670
  C      -5.861063     -1.602682      2.595550
  C      -8.748437     10.726234      0.192991
  C      -7.936497      9.454781      0.305196
  O      -8.042198      8.564920     -0.537065
  C      -7.026689      9.293256      1.478010
  C      -7.011664     10.192579      2.558447
  C      -6.177463      9.965295      3.649263
  C      -5.372092      8.828798      3.664640
  F      -4.566788      8.650805      4.734646
  C      -5.349448      7.909748      2.606369
  C      -4.544889      6.638424      2.573129
  O      -4.026241      6.281639      1.503356
  N      -4.558484      5.945801      3.764566
  C      -4.259696      4.659443      3.641869
  C      -6.173502      8.183298      1.512977
  C      -8.149453      4.298595     -1.516292
  C      -8.096292      3.186550     -0.493704
  O      -8.220116      2.010898     -0.828904
  C      -7.907055      3.551355      0.944098
  C      -7.874457      4.886939      1.377635
  C      -7.731095      5.185521      2.730088
  C      -7.599365      4.138154      3.631704
  F      -7.472720      4.432918      4.948368
  C      -7.605256      2.792966      3.245243
  C      -7.512380      1.719351      4.303539
  O      -8.536554      1.148309      4.698432
  N      -6.252170      1.523425      4.791138
  C      -6.045651      0.813698      5.940613
  C      -7.780055      2.519219      1.889909
  H      -9.707405     -0.564613      1.542960
  H      -9.495502     -1.015590     -0.182100
  H      -9.752588     -2.272227      1.074784
  H      -9.146136     -2.077730      3.378878
  H      -8.118586     -2.574816      5.593384
  H      -1.224229     -0.810930      3.952127
  H      -5.237614     -1.317644      1.745686
  H      -9.468442     10.789568      1.024074
  H      -8.106834     11.617373      0.252751
  H      -9.295356     10.722023     -0.755675
  H      -7.653980     11.073488      2.557975
  H      -6.139989     10.654037      4.493746
  H      -4.081621      4.259007      2.634287
  H      -6.161588      7.496894      0.665776
  H      -8.244841      3.861413     -2.515704
  H      -7.248036      4.927702     -1.468960
  H      -9.008323      4.959820     -1.323273
  H      -7.970902      5.706572      0.665053
  H      -7.710821      6.212512      3.093545
  H      -6.814744      0.314651      6.539144
  H      -7.827841      1.487129      1.537262
  N      -4.370338      1.650949      2.248313
  H      -3.744591      0.999886      1.761153
  H      -4.306711      2.555223      1.770566
  H      -5.326677      1.321665      2.085432
90
Coordinates from ORCA-job orca E -6670.672545191300
  N      -1.961303      1.209447      4.162347
  Mo     -3.982793      1.692923      4.459880
  N      -4.757801      0.831104      6.154689
  C      -3.999226      0.480408      7.329015
  C      -2.633828      1.161752      7.144771
  N      -2.787885      2.363934      6.276483
  C      -1.468400      2.867745      5.790425
  C      -0.842112      1.899482      4.767137
  C      -3.512749      3.464167      6.979295
  C      -4.367958      4.287024      5.994831
  N      -4.189449      3.780869      4.630600
  H      -0.268473      2.486574      4.032744
  H      -0.150188      1.186239      5.241815
  H      -1.676318      3.829220      5.304289
  H      -0.794915      3.053515      6.643812
  H      -5.431343      4.175377      6.254288
  H      -4.130257      5.358546      6.043588
  H      -4.151309      3.006655      7.743579
  H      -2.779222      4.097801      7.504663
  H      -3.862193     -0.608876      7.422903
  H      -4.516099      0.832780      8.236780
  H      -1.945818      0.478099      6.633203
  H      -2.182636      1.440260      8.112466
  C      -9.301789     -1.287647      0.922663
  C      -7.802698     -1.340696      1.088385
  O      -7.048406     -1.117143      0.145004
  C      -7.245883     -1.672187      2.437902
  C      -8.046161     -2.056774      3.525436
  C      -7.466906     -2.371602      4.752097
  C      -6.085042     -2.291163      4.881370
  F      -5.526991     -2.571828      6.087106
  C      -5.256087     -1.882929      3.834930
  C      -3.765021     -1.751173      3.983095
  O      -3.031713     -2.733186      4.111821
  N      -3.358627     -0.439280      3.955688
  C      -2.049561     -0.098299      3.982949
  C      -5.858769     -1.580632      2.616526
  C      -8.728200     10.730730      0.161140
  C      -7.920342      9.457240      0.279211
  O      -8.019655      8.568947     -0.565642
  C      -7.023907      9.289993      1.461366
  C      -7.024965     10.181418      2.547949
  C      -6.203101      9.949364      3.647471
  C      -5.393914      8.815614      3.664676
  F      -4.600739      8.633469      4.742878
  C      -5.357418      7.903150      2.600623
  C      -4.549523      6.633733      2.568062
  O      -4.030815      6.276418      1.498453
  N      -4.567164      5.937718      3.757667
  C      -4.268507      4.651822      3.634449
  C      -6.167979      8.182283      1.498974
  C      -8.165280      4.348084     -1.518502
  C      -8.110051      3.224666     -0.508782
  O      -8.245361      2.053707     -0.855441
  C      -7.908083      3.572407      0.931821
  C      -7.867613      4.903163      1.380335
  C      -7.716119      5.185544      2.735555
  C      -7.585802      4.127046      3.624360
  F      -7.453768      4.406344      4.944015
  C      -7.596688      2.786384      3.221961
  C      -7.504997      1.701371      4.268031
  O      -8.527904      1.112705      4.639988
  N      -6.248558      1.511318      4.768071
  C      -6.047961      0.793439      5.912877
  C      -7.778371      2.528760      1.864341
  H      -9.744317     -0.580706      1.641799
  H      -9.539909     -0.971795     -0.098204
  H      -9.748821     -2.273576      1.121628
  H      -9.130190     -2.104265      3.426691
  H      -8.072288     -2.651326      5.614098
  H      -1.209571     -0.803861      3.957853
  H      -5.247648     -1.267957      1.767460
  H      -9.466765     10.786270      0.976530
  H      -8.087695     11.620679      0.244313
  H      -9.254622     10.736339     -0.799028
  H      -7.670449     11.060009      2.546061
  H      -6.178461     10.632174      4.497201
  H      -4.096986      4.248990      2.627666
  H      -6.142742      7.502686      0.646889
  H      -8.270815      3.922019     -2.521683
  H      -7.260883      4.972897     -1.471000
  H      -9.019206      5.011875     -1.312181
  H      -7.964609      5.731339      0.677330
  H      -7.690387      6.208005      3.111658
  H      -6.819991      0.288235      6.502515
  H      -7.829762      1.501290      1.499090
  N      -4.348071      1.652157      2.237390
  H      -3.704055      1.018251      1.751188
  H      -4.305577      2.558306      1.760749
  H      -5.294306      1.297708      2.067372
90
Coordinates from ORCA-job orca E -6670.672782044932
  N      -1.958452      1.215699      4.160520
  Mo     -3.982440      1.692557      4.451224
  N      -4.762295      0.818549      6.137879
  C      -4.008493      0.465859      7.314694
  C      -2.645005      1.153186      7.139335
  N      -2.799132      2.357935      6.274153
  C      -1.478679      2.869050      5.798188
  C      -0.844865      1.908178      4.772586
  C      -3.532908      3.450676      6.977102
  C      -4.361023      4.293902      5.987814
  N      -4.192481      3.779830      4.625178
  H      -0.270953      2.501125      4.043240
  H      -0.151948      1.195699      5.246936
  H      -1.687026      3.832756      5.316767
  H      -0.810533      3.051429      6.656336
  H      -5.427937      4.211841      6.243546
  H      -4.095309      5.358788      6.034653
  H      -4.190665      2.982519      7.718394
  H      -2.808674      4.072082      7.529789
  H      -3.869117     -0.623193      7.406118
  H      -4.529861      0.814794      8.221302
  H      -1.951553      0.474164      6.629175
  H      -2.200334      1.430569      8.110455
  C      -9.326071     -1.307882      0.983832
  C      -7.824483     -1.326826      1.135766
  O      -7.084707     -1.064908      0.190805
  C      -7.247671     -1.676358      2.471912
  C      -8.032056     -2.084464      3.562371
  C      -7.436210     -2.411516      4.777609
  C      -6.053514     -2.321423      4.891666
  F      -5.479540     -2.612516      6.087675
  C      -5.240018     -1.891264      3.841797
  C      -3.748694     -1.750593      3.978029
  O      -3.009460     -2.728166      4.107632
  N      -3.349174     -0.436794      3.941962
  C      -2.041632     -0.091265      3.975929
  C      -5.859464     -1.575628      2.635303
  C      -8.701781     10.750034      0.135846
  C      -7.896576      9.475127      0.256519
  O      -7.986154      8.591813     -0.594715
  C      -7.017039      9.298304      1.449851
  C      -7.036289     10.178970      2.544692
  C      -6.229780      9.938477      3.653982
  C      -5.417882      8.806666      3.672260
  F      -4.639600      8.617140      4.759885
  C      -5.364982      7.903859      2.600316
  C      -4.554960      6.635663      2.566957
  O      -4.031340      6.281786      1.498633
  N      -4.576413      5.934981      3.753823
  C      -4.278317      4.649549      3.628089
  C      -6.159232      8.192193      1.489404
  C      -8.164631      4.390635     -1.521653
  C      -8.114830      3.257777     -0.522393
  O      -8.254025      2.090647     -0.879983
  C      -7.907482      3.591003      0.921167
  C      -7.862794      4.917536      1.382323
  C      -7.707778      5.186370      2.739983
  C      -7.578762      4.118856      3.618038
  F      -7.444485      4.385373      4.940171
  C      -7.592695      2.782077      3.202627
  C      -7.501971      1.688302      4.239434
  O      -8.523659      1.087279      4.594849
  N      -6.248305      1.502627      4.748474
  C      -6.051020      0.777344      5.888741
  C      -7.777300      2.537804      1.842823
  H      -9.780701     -0.628056      1.721492
  H      -9.581352     -0.976448     -0.028041
  H      -9.745863     -2.308859      1.165477
  H      -9.116650     -2.138856      3.475809
  H      -8.029424     -2.706020      5.643082
  H      -1.199524     -0.794476      3.954576
  H      -5.260512     -1.245888      1.783996
  H      -9.456708     10.797126      0.936751
  H      -8.062958     11.638761      0.241473
  H      -9.209240     10.766126     -0.834353
  H      -7.684196     11.055783      2.541896
  H      -6.219471     10.613158      4.510457
  H      -4.113495      4.246138      2.620849
  H      -6.118742      7.521671      0.630965
  H      -8.273262      3.973960     -2.528440
  H      -7.257229      5.010735     -1.469099
  H      -9.014752      5.057410     -1.309041
  H      -7.959011      5.752752      0.687274
  H      -7.678945      6.204846      3.126639
  H      -6.824489      0.266557      6.471691
  H      -7.829553      1.514399      1.466604
  N      -4.339826      1.654195      2.226476
  H      -3.680833      1.036454      1.739387
  H      -4.321176      2.560174      1.748025
  H      -5.276471      1.274860      2.056113
90
Coordinates from ORCA-job orca E -6670.673027917621
  N      -1.955563      1.221316      4.159100
  Mo     -3.981949      1.691910      4.442641
  N      -4.766860      0.805790      6.120939
  C      -4.018113      0.451161      7.300389
  C      -2.656525      1.144340      7.134079
  N      -2.810507      2.351572      6.271816
  C      -1.489001      2.869758      5.806210
  C      -0.847616      1.916140      4.778526
  C      -3.553334      3.436931      6.974464
  C      -4.353417      4.300445      5.980614
  N      -4.195201      3.778485      4.619617
  H      -0.273315      2.514801      4.054281
  H      -0.153841      1.204406      5.252715
  H      -1.697606      3.835649      5.329391
  H      -0.826372      3.048698      6.669190
  H      -5.423068      4.248713      6.232573
  H      -4.059283      5.357789      6.025661
  H      -4.230229      2.958677      7.691778
  H      -2.839346      4.045627      7.554468
  H      -3.876503     -0.637642      7.389571
  H      -4.544090      0.796865      8.205661
  H      -1.957586      0.469881      6.625584
  H      -2.218580      1.420649      8.108646
  C      -9.349147     -1.326334      1.045396
  C      -7.846109     -1.311018      1.184862
  O      -7.121455     -1.009815      0.239924
  C      -7.249387     -1.679566      2.506721
  C      -8.017694     -2.111787      3.599270
  C      -7.405292     -2.451810      4.802447
  C      -6.021994     -2.352150      4.901424
  F      -5.432160     -2.654309      6.087186
  C      -5.224137     -1.899570      3.848882
  C      -3.732702     -1.750269      3.973235
  O      -2.987700     -2.723450      4.103865
  N      -3.339928     -0.434684      3.928395
  C      -2.033841     -0.084809      3.969266
  C      -5.860330     -1.569892      2.655003
  C      -8.676463     10.766690      0.109755
  C      -7.873766      9.490507      0.233404
  O      -7.953818      8.611682     -0.623505
  C      -7.010887      9.304772      1.437423
  C      -7.048425     10.175037      2.539769
  C      -6.257094      9.926688      3.658479
  C      -5.442173      8.797058      3.678217
  F      -4.678644      8.600713      4.774934
  C      -5.372750      7.903582      2.599055
  C      -4.560342      6.636779      2.565252
  O      -4.031857      6.286072      1.498303
  N      -4.585423      5.931769      3.749540
  C      -4.287971      4.646794      3.621494
  C      -6.150902      8.200511      1.479262
  C      -8.163906      4.436886     -1.523240
  C      -8.119331      3.294006     -0.535351
  O      -8.262612      2.131098     -0.904614
  C      -7.906609      3.611653      0.911232
  C      -7.857913      4.933516      1.385895
  C      -7.699417      5.187867      2.746024
  C      -7.571516      4.110836      3.612496
  F      -7.435118      4.363649      4.937177
  C      -7.588231      2.778342      3.183175
  C      -7.498413      1.675200      4.209931
  O      -8.518579      1.061503      4.547871
  N      -6.247802      1.493907      4.728507
  C      -6.054036      0.761079      5.864111
  C      -7.775782      2.548381      1.821162
  H      -9.815234     -0.674874      1.801449
  H      -9.621489     -0.979069      0.043190
  H      -9.741626     -2.341383      1.208193
  H      -9.102675     -2.172958      3.524822
  H      -7.986198     -2.761593      5.670894
  H      -1.189814     -0.785879      3.951842
  H      -5.273670     -1.222674      1.802064
  H      -9.447262     10.805803      0.895936
  H      -8.039851     11.654098      0.237167
  H      -9.165033     10.792802     -0.869869
  H      -7.699003     11.049873      2.535769
  H      -6.261230     10.593512      4.521121
  H      -4.130115      4.242567      2.613876
  H      -6.095121      7.538731      0.615120
  H      -8.275740      4.030364     -2.533819
  H      -7.253572      5.052261     -1.465385
  H      -9.010212      5.106352     -1.303682
  H      -7.953521      5.776143      0.699451
  H      -7.667682      6.202005      3.143877
  H      -6.829044      0.244712      6.440113
  H      -7.828748      1.529429      1.433285
  N      -4.330766      1.656029      2.215528
  H      -3.656970      1.054685      1.728014
  H      -4.335646      2.561069      1.734998
  H      -5.257061      1.252004      2.044373
90
Coordinates from ORCA-job orca E -6670.673266445505
  N      -1.951534      1.214703      4.163613
  Mo     -3.978671      1.682246      4.437632
  N      -4.767937      0.788202      6.109834
  C      -4.024368      0.433224      7.292976
  C      -2.664367      1.131547      7.133008
  N      -2.818385      2.339491      6.271008
  C      -1.496399      2.864425      5.813208
  C      -0.849235      1.916196      4.784506
  C      -3.568470      3.419973      6.970811
  C      -4.338377      4.300558      5.972740
  N      -4.188477      3.768861      4.615323
  H      -0.276970      2.518819      4.062117
  H      -0.152572      1.207856      5.259497
  H      -1.707122      3.831616      5.340297
  H      -0.838296      3.041275      6.679687
  H      -5.410100      4.275976      6.218912
  H      -4.017951      5.350127      6.016676
  H      -4.264993      2.933937      7.664357
  H      -2.864338      4.015908      7.575953
  H      -3.883153     -0.655119      7.383985
  H      -4.553135      0.781039      8.196063
  H      -1.961037      0.460249      6.626810
  H      -2.232610      1.408907      8.110175
  C      -9.369887     -1.256231      1.111860
  C      -7.864066     -1.267904      1.220358
  O      -7.153621     -0.971140      0.263439
  C      -7.249854     -1.657562      2.527253
  C      -8.009968     -2.094713      3.623038
  C      -7.388239     -2.455575      4.814443
  C      -6.003280     -2.366738      4.899252
  F      -5.403262     -2.684186      6.076907
  C      -5.213041     -1.905433      3.845236
  C      -3.719801     -1.758379      3.964470
  O      -2.975167     -2.732292      4.090536
  N      -3.326639     -0.442927      3.922598
  C      -2.023113     -0.090304      3.967419
  C      -5.858386     -1.560134      2.660307
  C      -8.696341     10.722891      0.081888
  C      -7.893513      9.448157      0.216673
  O      -7.970629      8.563054     -0.634369
  C      -7.029438      9.271498      1.420934
  C      -7.073929     10.143478      2.520794
  C      -6.281247      9.904172      3.641186
  C      -5.456982      8.781380      3.663609
  F      -4.691917      8.593781      4.760432
  C      -5.382270      7.885735      2.585898
  C      -4.561599      6.623917      2.556361
  O      -4.022724      6.275708      1.494271
  N      -4.589731      5.916948      3.739631
  C      -4.285904      4.633803      3.613118
  C      -6.160687      8.174156      1.465042
  C      -8.119933      4.512714     -1.510723
  C      -8.080035      3.352477     -0.543607
  O      -8.190885      2.194323     -0.937492
  C      -7.887674      3.644776      0.911779
  C      -7.869256      4.957907      1.411347
  C      -7.726843      5.189776      2.777454
  C      -7.588488      4.099331      3.624233
  F      -7.469654      4.330183      4.954840
  C      -7.576502      2.775024      3.169963
  C      -7.487551      1.659137      4.182732
  O      -8.505491      1.028118      4.494753
  N      -6.241030      1.481659      4.712201
  C      -6.054428      0.749060      5.848572
  C      -7.745246      2.566346      1.802225
  H      -9.806936     -0.581318      1.865123
  H      -9.656869     -0.917103      0.110704
  H      -9.778704     -2.260095      1.299498
  H      -9.096026     -2.143460      3.561711
  H      -7.962986     -2.767777      5.685571
  H      -1.177805     -0.789899      3.951602
  H      -5.277320     -1.210263      1.804811
  H      -9.458840     10.779890      0.874796
  H      -8.053945     11.609307      0.187540
  H      -9.193963     10.736010     -0.893409
  H      -7.732087     11.012587      2.515303
  H      -6.292385     10.572265      4.502744
  H      -4.129773      4.227857      2.606495
  H      -6.101993      7.508639      0.604399
  H      -8.204739      4.122942     -2.530519
  H      -7.220821      5.140756     -1.421447
  H      -8.979678      5.167479     -1.298697
  H      -7.974302      5.810931      0.738745
  H      -7.716112      6.195729      3.195138
  H      -6.833538      0.235542      6.421639
  H      -7.771792      1.554387      1.393692
  N      -4.316384      1.646797      2.206706
  H      -3.640949      1.041484      1.725903
  H      -4.320899      2.545958      1.715526
  H      -5.241249      1.238432      2.034246
90
Coordinates from ORCA-job orca E -6670.673474654497
  N      -1.945832      1.204240      4.162736
  Mo     -3.974411      1.666418      4.429913
  N      -4.765222      0.762608      6.097760
  C      -4.026159      0.412754      7.285460
  C      -2.668354      1.115606      7.128957
  N      -2.823734      2.323495      6.266115
  C      -1.501182      2.853958      5.815995
  C      -0.848805      1.909866      4.787307
  C      -3.580804      3.399624      6.963119
  C      -4.332183      4.291428      5.963796
  N      -4.192139      3.751524      4.608881
  H      -0.275962      2.514952      4.067557
  H      -0.151340      1.203450      5.264073
  H      -1.712218      3.822354      5.345894
  H      -0.847708      3.028247      6.686197
  H      -5.404361      4.288334      6.209016
  H      -3.991699      5.334693      6.004466
  H      -4.288543      2.907039      7.641135
  H      -2.884894      3.988711      7.584365
  H      -3.884349     -0.674718      7.382969
  H      -4.557852      0.765506      8.185165
  H      -1.961386      0.446678      6.624974
  H      -2.241000      1.395053      8.107553
  C      -9.385884     -1.148783      1.195886
  C      -7.878643     -1.190708      1.274562
  O      -7.181307     -0.861989      0.318460
  C      -7.246648     -1.635522      2.554589
  C      -7.993867     -2.107979      3.644534
  C      -7.358239     -2.511074      4.814862
  C      -5.972167     -2.423419      4.885175
  F      -5.357972     -2.775435      6.045859
  C      -5.194847     -1.927465      3.837143
  C      -3.701436     -1.774015      3.950852
  O      -2.951717     -2.744547      4.073495
  N      -3.313526     -0.456680      3.908381
  C      -2.011798     -0.099337      3.959820
  C      -5.853592     -1.545611      2.671363
  C      -8.691208     10.660146     -0.013031
  C      -7.878156      9.393999      0.139868
  O      -7.925101      8.508963     -0.713613
  C      -7.043751      9.222971      1.365545
  C      -7.130853     10.086948      2.468966
  C      -6.364604      9.852892      3.609084
  C      -5.524075      8.742485      3.647009
  F      -4.785035      8.560001      4.762323
  C      -5.408897      7.854800      2.566337
  C      -4.571199      6.604427      2.549923
  O      -4.005843      6.265994      1.498340
  N      -4.611369      5.894217      3.731290
  C      -4.299349      4.613649      3.605271
  C      -6.159948      8.138877      1.426454
  C      -8.080000      4.647657     -1.456245
  C      -8.056959      3.460924     -0.521531
  O      -8.154948      2.313939     -0.949794
  C      -7.875863      3.711900      0.943364
  C      -7.872787      5.010644      1.479733
  C      -7.736397      5.206382      2.852233
  C      -7.591831      4.093182      3.668289
  F      -7.481128      4.286404      5.005932
  C      -7.567848      2.781808      3.176947
  C      -7.478291      1.642377      4.163449
  O      -8.495623      1.000559      4.454859
  N      -6.234323      1.464042      4.700202
  C      -6.050899      0.724103      5.832032
  C      -7.728007      2.609476      1.803154
  H      -9.792434     -0.476009      1.968603
  H      -9.685887     -0.786168      0.206677
  H      -9.812101     -2.146596      1.375167
  H      -9.080623     -2.148355      3.596750
  H      -7.922575     -2.849408      5.683375
  H      -1.164066     -0.796157      3.945219
  H      -5.282398     -1.167409      1.821298
  H      -9.473896     10.709167      0.760446
  H      -8.059889     11.552380      0.109562
  H      -9.164243     10.670030     -1.000509
  H      -7.802434     10.945564      2.450769
  H      -6.409257     10.515205      4.473990
  H      -4.142923      4.208199      2.599296
  H      -6.066350      7.478823      0.564731
  H      -8.148268      4.286335     -2.487706
  H      -7.182114      5.272019     -1.333986
  H      -8.941906      5.298617     -1.241239
  H      -7.983111      5.880797      0.830084
  H      -7.735076      6.201215      3.297049
  H      -6.832406      0.212187      6.403410
  H      -7.740496      1.609793      1.365414
  N      -4.302422      1.633986      2.196154
  H      -3.617244      1.036433      1.719240
  H      -4.318709      2.529302      1.698411
  H      -5.219942      1.210111      2.020892
90
Coordinates from ORCA-job orca E -6670.673562709317
  N      -1.950992      1.203827      4.148492
  Mo     -3.981327      1.656297      4.406837
  N      -4.777613      0.740716      6.067078
  C      -4.044814      0.394083      7.260406
  C      -2.688710      1.101506      7.112221
  N      -2.843103      2.310960      6.251488
  C      -1.520092      2.848407      5.811693
  C      -0.861147      1.913693      4.779242
  C      -3.606000      3.383204      6.944931
  C      -4.341648      4.282294      5.946470
  N      -4.203423      3.740073      4.592601
  H      -0.288387      2.524265      4.064271
  H      -0.161736      1.208773      5.255611
  H      -1.731317      3.819831      5.348358
  H      -0.871222      3.016613      6.686296
  H      -5.414548      4.292650      6.188239
  H      -3.987976      5.321266      5.988973
  H      -4.323624      2.887039      7.610400
  H      -2.916414      3.966510      7.578410
  H      -3.903271     -0.692734      7.362840
  H      -4.582049      0.749891      8.155880
  H      -1.978014      0.435995      6.609058
  H      -2.266630      1.379260      8.093602
  C      -9.430117     -1.108511      1.332682
  C      -7.924591     -1.228807      1.334722
  O      -7.260533     -0.950080      0.339795
  C      -7.253546     -1.672026      2.593641
  C      -7.974763     -2.126637      3.707452
  C      -7.312998     -2.522163      4.865005
  C      -5.925643     -2.437952      4.899166
  F      -5.283164     -2.780624      6.047879
  C      -5.173196     -1.952251      3.828704
  C      -3.678644     -1.784873      3.921792
  O      -2.918356     -2.748462      4.034359
  N      -3.302427     -0.464277      3.879275
  C      -2.005901     -0.097830      3.934995
  C      -5.857247     -1.584357      2.672648
  C      -8.709579     10.655066     -0.024062
  C      -7.898195      9.388251      0.131430
  O      -7.935874      8.506869     -0.726281
  C      -7.069608      9.214133      1.360433
  C      -7.165212     10.071574      2.467886
  C      -6.403170      9.834849      3.610498
  C      -5.558139      8.727492      3.646177
  F      -4.823606      8.541604      4.763777
  C      -5.435470      7.846387      2.561015
  C      -4.592585      6.599885      2.542834
  O      -4.014062      6.272262      1.495249
  N      -4.635504      5.881902      3.719750
  C      -4.312751      4.604650      3.589759
  C      -6.182120      8.133229      1.419507
  C      -7.942966      4.729758     -1.457029
  C      -7.938425      3.525267     -0.545151
  O      -7.992267      2.385127     -0.998748
  C      -7.818407      3.750226      0.930814
  C      -7.856697      5.038280      1.490425
  C      -7.762273      5.212510      2.869467
  C      -7.620939      4.087465      3.668460
  F      -7.541509      4.257059      5.011935
  C      -7.564337      2.786030      3.154797
  C      -7.483985      1.637047      4.130320
  O      -8.506704      0.999741      4.412913
  N      -6.241934      1.449916      4.668082
  C      -6.063327      0.709269      5.799807
  C      -7.679169      2.634128      1.774425
  H      -9.754059     -0.380736      2.094779
  H      -9.764409     -0.770857      0.345654
  H      -9.900240     -2.071815      1.577422
  H      -9.062487     -2.157285      3.689107
  H      -7.857255     -2.846858      5.750727
  H      -1.152367     -0.787493      3.917257
  H      -5.306184     -1.216879      1.805338
  H      -9.482355     10.718961      0.757892
  H      -8.070778     11.544710      0.079772
  H      -9.193149     10.657300     -1.006475
  H      -7.840983     10.926943      2.450717
  H      -6.454540     10.491984      4.478943
  H      -4.146034      4.205710      2.583142
  H      -6.080485      7.477129      0.555683
  H      -7.960658      4.387830     -2.497219
  H      -7.061298      5.364950     -1.283428
  H      -8.822671      5.364794     -1.268913
  H      -7.960899      5.917490      0.851829
  H      -7.786327      6.198677      3.330832
  H      -6.847798      0.202221      6.371327
  H      -7.657719      1.642706      1.318251
  N      -4.308896      1.626401      2.172427
  H      -3.633230      1.014202      1.700124
  H      -4.315119      2.515390      1.663603
  H      -5.232907      1.212062      2.005080
90
Coordinates from ORCA-job orca E -6670.673820644879
  N      -1.949510      1.195223      4.146997
  Mo     -3.978633      1.648261      4.407398
  N      -4.768888      0.725394      6.070337
  C      -4.034841      0.391255      7.267171
  C      -2.679595      1.099487      7.112080
  N      -2.838624      2.305781      6.248611
  C      -1.516893      2.844138      5.805522
  C      -0.860189      1.909699      4.771581
  C      -3.601335      3.378884      6.941822
  C      -4.319782      4.289147      5.943004
  N      -4.204434      3.731441      4.592119
  H      -0.292635      2.520655      4.052661
  H      -0.156155      1.208337      5.246819
  H      -1.730703      3.816299      5.344775
  H      -0.866173      3.010629      6.679018
  H      -5.390028      4.333851      6.194201
  H      -3.936497      5.318065      5.972224
  H      -4.326207      2.883864      7.600230
  H      -2.913046      3.956228      7.581870
  H      -3.892756     -0.694223      7.382379
  H      -4.570981      0.757507      8.159015
  H      -1.969544      0.433561      6.607982
  H      -2.254552      1.381371      8.090918
  C      -9.423354     -1.004771      1.371607
  C      -7.921289     -1.161817      1.350652
  O      -7.261011     -0.861954      0.358934
  C      -7.246282     -1.654682      2.588244
  C      -7.964116     -2.141964      3.690333
  C      -7.299587     -2.566213      4.835813
  C      -5.912565     -2.476133      4.870860
  F      -5.268580     -2.843755      6.010633
  C      -5.163080     -1.962856      3.811123
  C      -3.668979     -1.794508      3.909788
  O      -2.906894     -2.756213      4.027553
  N      -3.294951     -0.473317      3.869588
  C      -2.001740     -0.105184      3.927806
  C      -5.850491     -1.565477      2.666693
  C      -8.665798     10.660724     -0.092718
  C      -7.865724      9.388770      0.076109
  O      -7.880263      8.514830     -0.790147
  C      -7.071505      9.202154      1.325337
  C      -7.203498     10.043464      2.441550
  C      -6.471416      9.796296      3.601160
  C      -5.619434      8.694284      3.644583
  F      -4.912612      8.499368      4.778235
  C      -5.461163      7.829205      2.551405
  C      -4.607557      6.590186      2.539068
  O      -4.007259      6.272953      1.501061
  N      -4.657909      5.868264      3.712855
  C      -4.330041      4.592018      3.584546
  C      -6.179211      8.125772      1.394125
  C      -7.929060      4.757203     -1.415546
  C      -7.918128      3.541571     -0.518714
  O      -7.946285      2.406167     -0.986269
  C      -7.829412      3.750636      0.962186
  C      -7.899628      5.031538      1.533195
  C      -7.815916      5.196826      2.913989
  C      -7.655789      4.068358      3.703535
  F      -7.580912      4.227628      5.049590
  C      -7.576694      2.772567      3.178936
  C      -7.489059      1.620119      4.149594
  O      -8.510868      0.986172      4.441833
  N      -6.243118      1.432343      4.678314
  C      -6.055986      0.694173      5.809702
  C      -7.678608      2.629390      1.796931
  H      -9.709931     -0.277615      2.149358
  H      -9.763184     -0.644286      0.394644
  H      -9.918242     -1.956771      1.611094
  H      -9.051637     -2.172162      3.673062
  H      -7.841441     -2.915315      5.713739
  H      -1.146231     -0.792269      3.905857
  H      -5.300394     -1.175037      1.809308
  H      -9.451979     10.730446      0.675030
  H      -8.021397     11.544886      0.023412
  H      -9.130553     10.667604     -1.084156
  H      -7.884321     10.894608      2.415685
  H      -6.550450     10.441504      4.476442
  H      -4.168529      4.191050      2.577021
  H      -6.045670      7.481695      0.525500
  H      -7.925874      4.428003     -2.460009
  H      -7.059670      5.402990     -1.220990
  H      -8.819424      5.378447     -1.233250
  H      -8.017694      5.912875      0.900649
  H      -7.858623      6.179175      3.381462
  H      -6.837162      0.193073      6.391089
  H      -7.635684      1.642255      1.332356
  N      -4.312378      1.617988      2.172048
  H      -3.643233      0.995809      1.702844
  H      -4.315732      2.499107      1.649700
  H      -5.239636      1.206033      2.013170
90
Coordinates from ORCA-job orca E -6670.674120009975
  N      -1.953450      1.205686      4.135172
  Mo     -3.982687      1.645282      4.398858
  N      -4.768508      0.710407      6.058007
  C      -4.033060      0.380319      7.255271
  C      -2.682100      1.096650      7.101419
  N      -2.850512      2.304358      6.242797
  C      -1.532686      2.852884      5.800798
  C      -0.869137      1.928641      4.759994
  C      -3.624011      3.369285      6.937863
  C      -4.337313      4.285015      5.936306
  N      -4.222209      3.727148      4.583620
  H      -0.310963      2.548671      4.041485
  H      -0.156138      1.232585      5.229854
  H      -1.752338      3.826650      5.345998
  H      -0.882193      3.018091      6.674906
  H      -5.407119      4.342302      6.188504
  H      -3.945766      5.311075      5.963691
  H      -4.351886      2.869533      7.588783
  H      -2.943526      3.946162      7.586645
  H      -3.882703     -0.704344      7.369763
  H      -4.573669      0.741054      8.146395
  H      -1.968963      0.437747      6.591801
  H      -2.256214      1.376041      8.080464
  C      -9.430484     -0.984943      1.414260
  C      -7.931957     -1.170372      1.374375
  O      -7.277892     -0.882568      0.374670
  C      -7.247212     -1.662957      2.607384
  C      -7.953978     -2.148934      3.717385
  C      -7.277802     -2.570874      4.857143
  C      -5.890482     -2.482013      4.878714
  F      -5.237107     -2.843547      6.014329
  C      -5.150990     -1.972021      3.810239
  C      -3.657255     -1.797555      3.897855
  O      -2.887705     -2.755249      4.000122
  N      -3.291142     -0.473932      3.859724
  C      -1.996883     -0.096124      3.916093
  C      -5.850548     -1.574348      2.672770
  C      -8.639315     10.716695     -0.086753
  C      -7.860400      9.431679      0.080050
  O      -7.878871      8.564553     -0.792909
  C      -7.073574      9.228706      1.331603
  C      -7.199082     10.065518      2.452156
  C      -6.473392      9.803528      3.612178
  C      -5.633716      8.691969      3.651528
  F      -4.932251      8.482813      4.785940
  C      -5.479784      7.832074      2.553609
  C      -4.633132      6.588166      2.535353
  O      -4.035644      6.273638      1.494933
  N      -4.677771      5.865124      3.708230
  C      -4.349052      4.588644      3.578504
  C      -6.192797      8.142392      1.396381
  C      -7.894725      4.724648     -1.428421
  C      -7.873013      3.512585     -0.527160
  O      -7.863759      2.375367     -0.991450
  C      -7.812319      3.727969      0.954249
  C      -7.895795      5.010118      1.520063
  C      -7.829654      5.180358      2.901150
  C      -7.673381      4.055825      3.696624
  F      -7.607488      4.220619      5.042703
  C      -7.584662      2.758663      3.177891
  C      -7.495910      1.610343      4.153509
  O      -8.520338      0.988446      4.462577
  N      -6.247016      1.413695      4.669776
  C      -6.055769      0.677161      5.800984
  C      -7.668290      2.610658      1.795342
  H      -9.691336     -0.269361      2.211600
  H      -9.773199     -0.598835      0.448143
  H      -9.943946     -1.930685      1.638458
  H      -9.041723     -2.180772      3.710574
  H      -7.811321     -2.919236      5.740336
  H      -1.135586     -0.775600      3.890956
  H      -5.308381     -1.185915      1.809289
  H      -9.422700     10.799537      0.682469
  H      -7.979514     11.589490      0.029217
  H      -9.105122     10.732072     -1.077617
  H      -7.869798     10.924706      2.428262
  H      -6.547478     10.444806      4.490789
  H      -4.184319      4.188629      2.570541
  H      -6.062287      7.503857      0.523347
  H      -7.871951      4.392042     -2.471546
  H      -7.038740      5.385990     -1.225999
  H      -8.797534      5.331281     -1.259670
  H      -8.008846      5.888332      0.882590
  H      -7.879155      6.163823      3.365265
  H      -6.834222      0.173784      6.384263
  H      -7.617951      1.622056      1.334660
  N      -4.325694      1.610495      2.166123
  H      -3.670698      0.972228      1.698885
  H      -4.315091      2.487784      1.637625
  H      -5.260765      1.214814      2.017211
90
Coordinates from ORCA-job orca E -6670.674437476649
  N      -1.958700      1.214469      4.119971
  Mo     -3.990409      1.632372      4.382436
  N      -4.773916      0.678366      6.033662
  C      -4.040329      0.353915      7.233568
  C      -2.696254      1.083371      7.087089
  N      -2.873104      2.293302      6.233782
  C      -1.557926      2.854689      5.800787
  C      -0.883254      1.945345      4.752436
  C      -3.661621      3.347213      6.928923
  C      -4.363322      4.271167      5.923901
  N      -4.248869      3.711553      4.570920
  H      -0.332465      2.577377      4.038723
  H      -0.161983      1.254132      5.216918
  H      -1.780556      3.831881      5.354793
  H      -0.911155      3.014810      6.678802
  H      -5.432247      4.347118      6.175660
  H      -3.958912      5.292561      5.949166
  H      -4.396224      2.839794      7.565508
  H      -2.993494      3.921635      7.593061
  H      -3.877167     -0.729391      7.345210
  H      -4.590306      0.704286      8.122831
  H      -1.976467      0.434168      6.573861
  H      -2.273866      1.360133      8.068277
  C      -9.448520     -0.910928      1.522740
  C      -7.958912     -1.145330      1.436638
  O      -7.327032     -0.889394      0.414028
  C      -7.250719     -1.656322      2.649203
  C      -7.933912     -2.151416      3.770006
  C      -7.232569     -2.587906      4.889381
  C      -5.844564     -2.502803      4.881407
  F      -5.168747     -2.871516      6.000682
  C      -5.127446     -1.986079      3.800615
  C      -3.633524     -1.806363      3.862313
  O      -2.854355     -2.758736      3.937988
  N      -3.279414     -0.478770      3.838472
  C      -1.987400     -0.087995      3.896824
  C      -5.852635     -1.576022      2.683485
  C      -8.631231     10.743411     -0.102579
  C      -7.866275      9.450136      0.062495
  O      -7.896774      8.582703     -0.809738
  C      -7.088241      9.234869      1.317853
  C      -7.207365     10.071795      2.439290
  C      -6.488838      9.799500      3.601047
  C      -5.662728      8.677966      3.641828
  F      -4.967768      8.459459      4.778397
  C      -5.513244      7.818374      2.542889
  C      -4.675017      6.568619      2.522470
  O      -4.086788      6.250469      1.477622
  N      -4.712095      5.848051      3.696689
  C      -4.379873      4.572292      3.566296
  C      -6.219872      8.138467      1.383769
  C      -7.804243      4.752967     -1.422092
  C      -7.769026      3.533506     -0.531708
  O      -7.708786      2.401790     -1.005936
  C      -7.762582      3.735626      0.952684
  C      -7.881218      5.010446      1.528212
  C      -7.852815      5.168161      2.911984
  C      -7.700613      4.038660      3.700596
  F      -7.657340      4.192043      5.049152
  C      -7.587312      2.747502      3.172872
  C      -7.503210      1.593677      4.142669
  O      -8.532789      0.984964      4.461882
  N      -6.253616      1.381160      4.647755
  C      -6.060424      0.641774      5.776185
  C      -7.628623      2.612177      1.787401
  H      -9.655935     -0.193692      2.334610
  H      -9.806721     -0.505728      0.570094
  H      -9.991058     -1.837961      1.756087
  H      -9.021817     -2.181851      3.786855
  H      -7.747612     -2.946124      5.779636
  H      -1.117641     -0.756204      3.868121
  H      -5.328810     -1.180903      1.811549
  H      -9.408140     10.839442      0.671628
  H      -7.959010     11.607596      0.006867
  H      -9.102966     10.761880     -1.090584
  H      -7.866796     10.939636      2.413479
  H      -6.557865     10.440841      4.480048
  H      -4.209393      4.173643      2.558273
  H      -6.091811      7.502111      0.508672
  H      -7.747379      4.431565     -2.467392
  H      -6.971218      5.435232     -1.193830
  H      -8.726587      5.333806     -1.269177
  H      -7.989725      5.892538      0.895724
  H      -7.923470      6.146285      3.384904
  H      -6.837529      0.135062      6.358563
  H      -7.557436      1.628717      1.318753
  N      -4.331999      1.599022      2.150819
  H      -3.690621      0.943323      1.689329
  H      -4.298663      2.473632      1.618793
  H      -5.275642      1.225962      2.002002
90
Coordinates from ORCA-job orca E -6670.674759380073
  N      -1.970304      1.224183      4.107949
  Mo     -4.003022      1.626214      4.371722
  N      -4.780328      0.662904      6.021959
  C      -4.045402      0.347744      7.223555
  C      -2.707807      1.087537      7.077958
  N      -2.892131      2.296276      6.224840
  C      -1.579458      2.863977      5.794391
  C      -0.899544      1.961664      4.742339
  C      -3.689197      3.345300      6.917096
  C      -4.385837      4.270033      5.907717
  N      -4.277451      3.703739      4.556448
  H      -0.355234      2.599757      4.029071
  H      -0.171752      1.274979      5.203329
  H      -1.802770      3.842561      5.351815
  H      -0.933188      3.022367      6.673316
  H      -5.452639      4.363158      6.163599
  H      -3.970795      5.287711      5.924889
  H      -4.426440      2.836292      7.548764
  H      -3.027694      3.921781      7.586406
  H      -3.869996     -0.733866      7.335132
  H      -4.602214      0.690519      8.111287
  H      -1.984187      0.444202      6.562362
  H      -2.285568      1.365289      8.058818
  C      -9.466405     -0.893391      1.591295
  C      -7.985186     -1.162267      1.471819
  O      -7.370631     -0.930828      0.432834
  C      -7.258831     -1.673462      2.673568
  C      -7.923888     -2.176667      3.801468
  C      -7.203723     -2.615470      4.908111
  C      -5.816207     -2.522354      4.882721
  F      -5.124678     -2.889559      5.992071
  C      -5.116196     -1.998994      3.793697
  C      -3.622884     -1.810293      3.837816
  O      -2.834705     -2.756477      3.892623
  N      -3.278715     -0.479288      3.828315
  C      -1.988122     -0.079395      3.885624
  C      -5.860639     -1.589353      2.688511
  C      -8.635081     10.806956     -0.069723
  C      -7.897779      9.496708      0.085067
  O      -7.962489      8.628969     -0.784792
  C      -7.104815      9.266056      1.328676
  C      -7.182136     10.110832      2.448031
  C      -6.449556      9.825361      3.597381
  C      -5.651074      8.683846      3.628561
  F      -4.941978      8.453210      4.753853
  C      -5.541357      7.815995      2.531085
  C      -4.727710      6.549956      2.499056
  O      -4.175108      6.215360      1.439726
  N      -4.744038      5.837170      3.678294
  C      -4.414890      4.559911      3.549536
  C      -6.262783      8.148450      1.383914
  C      -7.701543      4.727382     -1.433933
  C      -7.647253      3.513113     -0.537874
  O      -7.522852      2.383484     -1.005043
  C      -7.705804      3.718644      0.944663
  C      -7.867926      4.991360      1.513719
  C      -7.885792      5.150846      2.897412
  C      -7.738465      4.025863      3.692369
  F      -7.724907      4.183135      5.041166
  C      -7.593058      2.735926      3.171383
  C      -7.514844      1.587499      4.147791
  O      -8.549786      0.997825      4.486394
  N      -6.263949      1.359184      4.638295
  C      -6.066916      0.623590      5.768187
  C      -7.583086      2.598717      1.785879
  H      -9.634693     -0.172557      2.409230
  H      -9.835997     -0.479048      0.646923
  H     -10.029081     -1.805040      1.837270
  H      -9.011463     -2.216367      3.832325
  H      -7.705123     -2.984824      5.801411
  H      -1.112084     -0.738895      3.853311
  H      -5.351387     -1.190410      1.809659
  H      -9.390940     10.927547      0.721646
  H      -7.938834     11.654418      0.019247
  H      -9.128689     10.831816     -1.046840
  H      -7.818786     10.995724      2.429656
  H      -6.485992     10.472281      4.474275
  H      -4.247444      4.157616      2.542171
  H      -6.167184      7.507275      0.508177
  H      -7.602731      4.405421     -2.475901
  H      -6.899689      5.439380     -1.185091
  H      -8.647837      5.275615     -1.309477
  H      -7.970775      5.870280      0.876153
  H      -7.983420      6.127492      3.368309
  H      -6.841758      0.116535      6.353274
  H      -7.484244      1.615789      1.320828
  N      -4.342732      1.589925      2.141357
  H      -3.717513      0.914353      1.686813
  H      -4.281211      2.461835      1.607519
  H      -5.296492      1.245051      1.991315
90
Coordinates from ORCA-job orca E -6670.675015885329
  N      -1.980047      1.229115      4.095084
  Mo     -4.013610      1.616417      4.360111
  N      -4.783680      0.645341      6.010367
  C      -4.045807      0.336973      7.211860
  C      -2.715048      1.088012      7.066397
  N      -2.908170      2.295613      6.213600
  C      -1.598616      2.870580      5.783845
  C      -0.913489      1.973754      4.729478
  C      -3.714049      3.339060      6.903952
  C      -4.405123      4.264706      5.890563
  N      -4.302316      3.692460      4.541027
  H      -0.376395      2.617173      4.015455
  H      -0.178880      1.292499      5.187487
  H      -1.825036      3.849330      5.343307
  H      -0.952496      3.030024      6.662842
  H      -5.470198      4.371655      6.149310
  H      -3.981085      5.279043      5.901130
  H      -4.454225      2.826560      7.529028
  H      -3.059767      3.916916      7.579444
  H      -3.857918     -0.742970      7.321031
  H      -4.607673      0.670709      8.099623
  H      -1.987068      0.450759      6.549180
  H      -2.293327      1.367750      8.046866
  C      -9.479710     -0.860827      1.652967
  C      -8.008992     -1.166701      1.503423
  O      -7.411492     -0.961104      0.449196
  C      -7.267654     -1.678332      2.696293
  C      -7.917245     -2.181643      3.833193
  C      -7.180797     -2.623865      4.927888
  C      -5.793555     -2.531796      4.883875
  F      -5.087881     -2.899533      5.983676
  C      -5.108145     -2.008372      3.785508
  C      -3.614921     -1.816187      3.811237
  O      -2.821758     -2.758951      3.843348
  N      -3.277476     -0.483135      3.817505
  C      -1.987973     -0.075118      3.871874
  C      -5.869304     -1.598112      2.691555
  C      -8.643882     10.847950     -0.051007
  C      -7.926555      9.525809      0.095261
  O      -8.013664      8.660333     -0.774725
  C      -7.123342      9.282629      1.330161
  C      -7.168347     10.132669      2.447491
  C      -6.425596      9.836296      3.587206
  C      -5.649294      8.679542      3.611550
  F      -4.929971      8.439262      4.728279
  C      -5.571030      7.805660      2.515944
  C      -4.777928      6.526805      2.474564
  O      -4.259155      6.176967      1.402759
  N      -4.773799      5.822309      3.658816
  C      -4.446707      4.544156      3.531723
  C      -6.302903      8.148640      1.378043
  C      -7.588882      4.723296     -1.425960
  C      -7.514626      3.512485     -0.527058
  O      -7.314618      2.390513     -0.986671
  C      -7.649307      3.713214      0.950689
  C      -7.862826      4.980272      1.514688
  C      -7.931054      5.136487      2.897114
  C      -7.786262      4.013834      3.695497
  F      -7.807822      4.170515      5.044297
  C      -7.601762      2.727552      3.178612
  C      -7.527345      1.581789      4.158444
  O      -8.565725      1.008653      4.515518
  N      -6.274147      1.338346      4.632320
  C      -6.070785      0.602932      5.761307
  C      -7.537105      2.594007      1.794514
  H      -9.609484     -0.132093      2.471121
  H      -9.859074     -0.442582      0.714199
  H     -10.061762     -1.755061      1.917496
  H      -9.004487     -2.222741      3.878788
  H      -7.670194     -2.997219      5.826225
  H      -1.106753     -0.727174      3.835233
  H      -5.372620     -1.199012      1.805485
  H      -9.381660     10.986868      0.754159
  H      -7.930125     11.682559      0.020633
  H      -9.155172     10.877819     -1.018832
  H      -7.786382     11.030787      2.434744
  H      -6.436755     10.486957      4.462043
  H      -4.285073      4.138116      2.525001
  H      -6.232936      7.504140      0.502238
  H      -7.439824      4.406597     -2.463531
  H      -6.825735      5.467326     -1.150121
  H      -8.560863      5.231719     -1.334340
  H      -7.962067      5.857663      0.874805
  H      -8.061746      6.109758      3.367297
  H      -6.842400      0.094495      6.349417
  H      -7.404083      1.614100      1.330585
  N      -4.349849      1.577905      2.129973
  H      -3.738646      0.885249      1.682464
  H      -4.261927      2.446726      1.594854
  H      -5.311860      1.259455      1.976036
90
Coordinates from ORCA-job orca E -6670.675361438674
  N      -1.987884      1.234268      4.089347
  Mo     -4.021821      1.613219      4.354027
  N      -4.787211      0.639706      6.005973
  C      -4.046078      0.336291      7.206471
  C      -2.720869      1.096254      7.061043
  N      -2.919324      2.301797      6.206280
  C      -1.610992      2.879021      5.777018
  C      -0.922983      1.982470      4.723701
  C      -3.730933      3.342842      6.893173
  C      -4.410279      4.271392      5.873582
  N      -4.318706      3.689113      4.527350
  H      -0.390006      2.627727      4.008132
  H      -0.184755      1.304611      5.180570
  H      -1.836953      3.857384      5.335446
  H      -0.965246      3.040215      6.656145
  H      -5.472290      4.399940      6.135929
  H      -3.970575      5.279355      5.874555
  H      -4.477352      2.829061      7.509266
  H      -3.083510      3.919627      7.576488
  H      -3.846426     -0.742231      7.311171
  H      -4.612055      0.659786      8.095138
  H      -1.989028      0.462641      6.544692
  H      -2.300212      1.379408      8.040946
  C      -9.496179     -0.864591      1.674777
  C      -8.028377     -1.176859      1.515934
  O      -7.438639     -0.986769      0.454529
  C      -7.279556     -1.681143      2.707988
  C      -7.919720     -2.184579      3.850257
  C      -7.172669     -2.624926      4.938629
  C      -5.785760     -2.530636      4.885038
  F      -5.072422     -2.895827      5.980236
  C      -5.109035     -2.008508      3.780528
  C      -3.615972     -1.815335      3.793020
  O      -2.821088     -2.756724      3.806336
  N      -3.280340     -0.481644      3.815537
  C      -1.990730     -0.070822      3.867321
  C      -5.881439     -1.601291      2.692947
  C      -8.665978     10.900982      0.003568
  C      -7.968045      9.566773      0.133006
  O      -8.092378      8.702560     -0.733463
  C      -7.139667      9.310926      1.348873
  C      -7.134821     10.168408      2.461693
  C      -6.369400      9.860245      3.582698
  C      -5.620373      8.685656      3.594188
  F      -4.878501      8.435857      4.693951
  C      -5.590422      7.803342      2.502651
  C      -4.826180      6.507197      2.446094
  O      -4.359474      6.135994      1.357245
  N      -4.789962      5.814833      3.637000
  C      -4.471651      4.533616      3.513116
  C      -6.345373      8.157887      1.382746
  C      -7.491925      4.672048     -1.436480
  C      -7.393794      3.477259     -0.519036
  O      -7.118709      2.361498     -0.954822
  C      -7.601878      3.687030      0.948208
  C      -7.858188      4.954188      1.493223
  C      -7.972748      5.119618      2.871350
  C      -7.832395      4.007013      3.684144
  F      -7.887133      4.176899      5.030122
  C      -7.615302      2.719132      3.185095
  C      -7.542707      1.584640      4.177841
  O      -8.583017      1.032363      4.562232
  N      -6.286000      1.327170      4.632142
  C      -6.074914      0.594941      5.761901
  C      -7.503977      2.576408      1.805135
  H      -9.616739     -0.132485      2.491365
  H      -9.880785     -0.449926      0.736613
  H     -10.080669     -1.754320      1.949807
  H      -9.006703     -2.231129      3.902949
  H      -7.654674     -3.002075      5.839457
  H      -1.107064     -0.719160      3.828753
  H      -5.392906     -1.203611      1.801523
  H      -9.378433     11.054832      0.828537
  H      -7.935764     11.722888      0.053819
  H      -9.203074     10.938142     -0.949905
  H      -7.730137     11.081867      2.460183
  H      -6.341737     10.516148      4.453281
  H      -4.325401      4.119056      2.507470
  H      -6.315989      7.508369      0.508349
  H      -7.298230      4.349607     -2.464825
  H      -6.768127      5.450262     -1.148798
  H      -8.486983      5.139388     -1.378711
  H      -7.951830      5.824506      0.843375
  H      -8.132412      6.093768      3.330861
  H      -6.843164      0.085981      6.353890
  H      -7.346473      1.594604      1.352326
  N      -4.346603      1.572408      2.122803
  H      -3.746885      0.864616      1.683935
  H      -4.228806      2.439133      1.589921
  H      -5.314931      1.281492      1.956949
90
Coordinates from ORCA-job orca E -6670.675625548535
  N      -1.985085      1.227141      4.092427
  Mo     -4.020107      1.601301      4.347118
  N      -4.791414      0.626804      5.996425
  C      -4.052620      0.323314      7.197986
  C      -2.730666      1.089957      7.059153
  N      -2.928555      2.294911      6.202102
  C      -1.618283      2.873573      5.780598
  C      -0.923647      1.975726      4.732766
  C      -3.746794      3.334396      6.883280
  C      -4.411605      4.265608      5.857656
  N      -4.323505      3.677261      4.514434
  H      -0.388029      2.621069      4.019122
  H      -0.186896      1.298775      5.192880
  H      -1.841082      3.851484      5.336606
  H      -0.978120      3.036139      6.663524
  H      -5.472641      4.407764      6.117147
  H      -3.961141      5.268955      5.855657
  H      -4.501269      2.817872      7.487252
  H      -3.107900      3.909127      7.576420
  H      -3.845202     -0.754446      7.297388
  H      -4.624111      0.637492      8.086361
  H      -1.993642      0.458518      6.547750
  H      -2.315933      1.375925      8.040805
  C      -9.496735     -0.788860      1.723973
  C      -8.036864     -1.123895      1.548010
  O      -7.452134     -0.925241      0.485618
  C      -7.284525     -1.652676      2.728124
  C      -7.917912     -2.165710      3.870240
  C      -7.162329     -2.627239      4.944270
  C      -5.775073     -2.541899      4.878907
  F      -5.054597     -2.925469      5.962962
  C      -5.105177     -2.010844      3.774342
  C      -3.611902     -1.822032      3.773719
  O      -2.818719     -2.764596      3.764657
  N      -3.274641     -0.488925      3.814262
  C      -1.984413     -0.077817      3.867418
  C      -5.886539     -1.586508      2.700282
  C      -8.700125     10.890392      0.020892
  C      -8.005662      9.553592      0.144660
  O      -8.136514      8.691904     -0.723139
  C      -7.160999      9.298661      1.349607
  C      -7.134369     10.161788      2.458041
  C      -6.354680      9.853389      3.568977
  C      -5.612956      8.674283      3.575770
  F      -4.858194      8.425861      4.667196
  C      -5.604286      7.786003      2.488616
  C      -4.852758      6.482784      2.424083
  O      -4.422306      6.097535      1.324656
  N      -4.795331      5.798977      3.619092
  C      -4.481467      4.516504      3.496461
  C      -6.373942      8.140793      1.378600
  C      -7.430803      4.671459     -1.435330
  C      -7.315132      3.484781     -0.509895
  O      -6.986811      2.378125     -0.932537
  C      -7.573604      3.691719      0.949070
  C      -7.860244      4.955575      1.486418
  C      -8.005405      5.119832      2.861596
  C      -7.866246      4.009838      3.679128
  F      -7.947089      4.181568      5.022986
  C      -7.622804      2.723716      3.186592
  C      -7.550668      1.591544      4.182215
  O      -8.591442      1.046794      4.576652
  N      -6.291239      1.321181      4.622819
  C      -6.078792      0.585310      5.750287
  C      -7.482117      2.582983      1.809156
  H      -9.599005     -0.062279      2.548217
  H      -9.883795     -0.359953      0.793368
  H     -10.092019     -1.671531      1.999416
  H      -9.004790     -2.203564      3.933041
  H      -7.637858     -3.014247      5.844742
  H      -1.100187     -0.725322      3.831212
  H      -5.404745     -1.180407      1.808835
  H      -9.406564     11.046017      0.850652
  H      -7.966869     11.709878      0.067456
  H      -9.243349     10.930252     -0.928965
  H      -7.723031     11.079525      2.461973
  H      -6.310645     10.513354      4.435832
  H      -4.346176      4.096467      2.492107
  H      -6.364521      7.486169      0.507506
  H      -7.210062      4.350247     -2.458552
  H      -6.733149      5.470131     -1.139214
  H      -8.439740      5.110333     -1.395222
  H      -7.952643      5.824400      0.834742
  H      -8.187765      6.092264      3.317407
  H      -6.848398      0.077577      6.341621
  H      -7.308344      1.602878      1.358689
  N      -4.314236      1.564342      2.111542
  H      -3.713675      0.849439      1.685584
  H      -4.167146      2.430944      1.585495
  H      -5.282337      1.292326      1.916074
90
Coordinates from ORCA-job orca E -6670.675948276436
  N      -1.983181      1.216400      4.100015
  Mo     -4.017440      1.598122      4.349513
  N      -4.790966      0.633406      6.003379
  C      -4.051310      0.330706      7.204143
  C      -2.729676      1.098069      7.064728
  N      -2.924327      2.299108      6.200610
  C      -1.611379      2.870547      5.778145
  C      -0.918576      1.962027      4.738604
  C      -3.741570      3.343564      6.874906
  C      -4.391096      4.277308      5.842001
  N      -4.318895      3.675748      4.503836
  H      -0.378688      2.600547      4.021862
  H      -0.185964      1.284110      5.203530
  H      -1.828783      3.846155      5.326529
  H      -0.972195      3.037265      6.661052
  H      -5.448337      4.441808      6.104164
  H      -3.922484      5.272376      5.829650
  H      -4.504461      2.830268      7.471126
  H      -3.106179      3.915751      7.573447
  H      -3.840418     -0.746775      7.300889
  H      -4.623539      0.640980      8.093327
  H      -1.990737      0.463591      6.560189
  H      -2.317660      1.390520      8.045632
  C      -9.503107     -0.763303      1.712455
  C      -8.045468     -1.107285      1.539773
  O      -7.457065     -0.909371      0.479382
  C      -7.299218     -1.641002      2.722216
  C      -7.936623     -2.152838      3.862849
  C      -7.183557     -2.618226      4.937008
  C      -5.795888     -2.536842      4.875118
  F      -5.079283     -2.925082      5.959887
  C      -5.121925     -2.006585      3.772589
  C      -3.627998     -1.823306      3.771816
  O      -2.840210     -2.769998      3.754202
  N      -3.282084     -0.492534      3.824075
  C      -1.988547     -0.088648      3.875242
  C      -5.900947     -1.580306      2.697723
  C      -8.753044     10.888776      0.073509
  C      -8.054325      9.552354      0.179663
  O      -8.206651      8.690937     -0.684663
  C      -7.182048      9.297689      1.364844
  C      -7.121019     10.167313      2.467171
  C      -6.316649      9.858124      3.559847
  C      -5.584926      8.672818      3.555874
  F      -4.806196      8.425769      4.630793
  C      -5.610114      7.777470      2.474794
  C      -4.875610      6.465141      2.398794
  O      -4.484646      6.065944      1.289207
  N      -4.790581      5.791656      3.598344
  C      -4.487347      4.505799      3.480079
  C      -6.404738      8.133305      1.382594
  C      -7.370738      4.638556     -1.441529
  C      -7.233379      3.467884     -0.498918
  O      -6.846447      2.371482     -0.898750
  C      -7.542604      3.679396      0.948818
  C      -7.865455      4.941640      1.468776
  C      -8.041802      5.113850      2.839162
  C      -7.900209      4.013075      3.669286
  F      -8.008780      4.195231      5.009454
  C      -7.626155      2.726928      3.192815
  C      -7.553807      1.603185      4.197476
  O      -8.594098      1.068435      4.606696
  N      -6.291957      1.327410      4.628815
  C      -6.078732      0.596451      5.759586
  C      -7.452808      2.579251      1.819912
  H      -9.601929     -0.022062      2.523958
  H      -9.890044     -0.349171      0.775252
  H     -10.100704     -1.638650      2.006290
  H      -9.023842     -2.187026      3.923212
  H      -7.661361     -3.006787      5.835893
  H      -1.108193     -0.741362      3.840222
  H      -5.416937     -1.173425      1.807697
  H      -9.443072     11.039452      0.917934
  H      -8.021315     11.710136      0.108250
  H      -9.315494     10.930208     -0.865007
  H      -7.701128     11.090361      2.481222
  H      -6.245463     10.522758      4.421338
  H      -4.374484      4.074716      2.478028
  H      -6.425418      7.472556      0.516412
  H      -7.120646      4.312966     -2.456564
  H      -6.703452      5.462020     -1.143444
  H      -8.394486      5.043237     -1.422808
  H      -7.960477      5.803573      0.808901
  H      -8.251309      6.086635      3.283061
  H      -6.849206      0.093523      6.353861
  H      -7.257238      1.598578      1.379734
  N      -4.285206      1.561898      2.109990
  H      -3.688667      0.837738      1.694323
  H      -4.108226      2.427445      1.591185
  H      -5.253901      1.311627      1.890865
90
Coordinates from ORCA-job orca E -6670.676283673043
  N      -1.988543      1.205074      4.087210
  Mo     -4.021324      1.599564      4.340065
  N      -4.800282      0.657505      6.003108
  C      -4.053340      0.341832      7.195686
  C      -2.725436      1.100039      7.051620
  N      -2.913911      2.299408      6.183612
  C      -1.598752      2.861435      5.753246
  C      -0.914644      1.940209      4.720107
  C      -3.719037      3.352423      6.859212
  C      -4.374534      4.280782      5.829435
  N      -4.306358      3.681466      4.490988
  H      -0.366610      2.567978      3.999736
  H      -0.189916      1.256057      5.187996
  H      -1.813125      3.834114      5.294107
  H      -0.956391      3.032702      6.632887
  H      -5.432967      4.432760      6.094460
  H      -3.913038      5.279376      5.819712
  H      -4.480390      2.844345      7.462239
  H      -3.074348      3.923939      7.548832
  H      -3.848197     -0.737758      7.281304
  H      -4.616777      0.647230      8.092201
  H      -1.991072      0.456884      6.551955
  H      -2.310587      1.395849      8.030353
  C      -9.534138     -0.781965      1.706221
  C      -8.074885     -1.124069      1.544185
  O      -7.486038     -0.936998      0.482386
  C      -7.329507     -1.642678      2.735005
  C      -7.963851     -2.131324      3.887845
  C      -7.207690     -2.581419      4.966980
  C      -5.820384     -2.506263      4.896716
  F      -5.098080     -2.886186      5.981093
  C      -5.150317     -1.996179      3.782447
  C      -3.655596     -1.820486      3.765532
  O      -2.876853     -2.774262      3.727314
  N      -3.299998     -0.493445      3.823959
  C      -2.004538     -0.098847      3.859420
  C      -5.930965     -1.586220      2.703869
  C      -8.827023     10.867599      0.155298
  C      -8.095185      9.546148      0.235624
  O      -8.230718      8.697540     -0.643423
  C      -7.201082      9.299176      1.406183
  C      -7.133061     10.166771      2.510677
  C      -6.309241      9.861458      3.589566
  C      -5.566472      8.682850      3.572046
  F      -4.770352      8.442200      4.636308
  C      -5.597950      7.790560      2.489713
  C      -4.864198      6.479517      2.398090
  O      -4.480426      6.088915      1.282342
  N      -4.774390      5.800914      3.594617
  C      -4.477304      4.514526      3.468528
  C      -6.412076      8.143598      1.411036
  C      -7.246558      4.569453     -1.473006
  C      -7.114659      3.425784     -0.496425
  O      -6.677023      2.332968     -0.852242
  C      -7.494529      3.659770      0.929512
  C      -7.858034      4.926474      1.410662
  C      -8.082257      5.124279      2.770321
  C      -7.949370      4.042872      3.629766
  F      -8.106437      4.250302      4.960484
  C      -7.639686      2.750893      3.189263
  C      -7.569475      1.644884      4.212954
  O      -8.608541      1.123466      4.640596
  N      -6.302718      1.365207      4.634122
  C      -6.090347      0.637877      5.768069
  C      -7.419766      2.579909      1.826004
  H      -9.647437     -0.021625      2.497439
  H      -9.922874     -0.398584      0.757245
  H     -10.121529     -1.656720      2.023162
  H      -9.050944     -2.156348      3.952513
  H      -7.680678     -2.954610      5.875620
  H      -1.129070     -0.757733      3.818354
  H      -5.451639     -1.191315      1.805807
  H      -9.509364     10.987934      1.010694
  H      -8.117210     11.707864      0.190732
  H      -9.402538     10.905919     -0.775416
  H      -7.722908     11.083266      2.538333
  H      -6.231303     10.524101      4.452034
  H      -4.375490      4.086906      2.464864
  H      -6.440421      7.481580      0.545632
  H      -6.960713      4.224615     -2.472132
  H      -6.598069      5.408320     -1.176206
  H      -8.277748      4.954071     -1.490758
  H      -7.944243      5.774490      0.732488
  H      -8.325322      6.104204      3.181642
  H      -6.863071      0.146279      6.368757
  H      -7.197836      1.593554      1.412535
  N      -4.269426      1.568486      2.097380
  H      -3.676754      0.835812      1.690968
  H      -4.052056      2.435164      1.595413
  H      -5.236903      1.348676      1.841041
90
Coordinates from ORCA-job orca E -6670.676456767223
  N      -1.987960      1.199767      4.078998
  Mo     -4.019214      1.603148      4.337679
  N      -4.798233      0.663961      6.001761
  C      -4.050509      0.344053      7.192847
  C      -2.717866      1.094152      7.044883
  N      -2.903747      2.294426      6.178166
  C      -1.588594      2.854110      5.743541
  C      -0.910119      1.931801      4.707783
  C      -3.703879      3.348526      6.858058
  C      -4.357400      4.283435      5.833087
  N      -4.294292      3.685959      4.493013
  H      -0.361107      2.557707      3.986573
  H      -0.186975      1.245071      5.174609
  H      -1.804329      3.827001      5.285401
  H      -0.943329      3.024142      6.621191
  H      -5.415255      4.437064      6.099436
  H      -3.892012      5.279959      5.825812
  H      -4.466234      2.840537      7.460015
  H      -3.055932      3.914408      7.549159
  H      -3.854634     -0.736823      7.281153
  H      -4.608088      0.657384      8.090450
  H      -1.987802      0.447377      6.543694
  H      -2.299755      1.388232      8.022798
  C      -9.551221     -0.795097      1.720040
  C      -8.086033     -1.112699      1.558397
  O      -7.497454     -0.900465      0.501020
  C      -7.338348     -1.640951      2.742790
  C      -7.972549     -2.136437      3.892513
  C      -7.217815     -2.589303      4.971176
  C      -5.830781     -2.512761      4.900986
  F      -5.107822     -2.896115      5.984058
  C      -5.160751     -1.996462      3.789633
  C      -3.665523     -1.821187      3.775932
  O      -2.888933     -2.777499      3.751794
  N      -3.306878     -0.494591      3.816230
  C      -2.010290     -0.103469      3.851194
  C      -5.939532     -1.580585      2.712147
  C      -8.827156     10.832840      0.120466
  C      -8.071868      9.524771      0.205591
  O      -8.176151      8.679388     -0.680837
  C      -7.199657      9.283433      1.393563
  C      -7.174231     10.140679      2.507794
  C      -6.368979      9.840993      3.602297
  C      -5.602694      8.677210      3.590287
  F      -4.825448      8.441990      4.669650
  C      -5.592787      7.795515      2.499124
  C      -4.833969      6.498453      2.413547
  O      -4.407718      6.127091      1.306943
  N      -4.766564      5.808552      3.605128
  C      -4.465123      4.523823      3.474495
  C      -6.388292      8.143651      1.405161
  C      -7.236647      4.612618     -1.461299
  C      -7.128109      3.453419     -0.499923
  O      -6.713609      2.356489     -0.870245
  C      -7.493786      3.679387      0.931291
  C      -7.842823      4.945830      1.424096
  C      -8.060376      5.135805      2.786062
  C      -7.933188      4.046552      3.636641
  F      -8.087316      4.243798      4.969358
  C      -7.633473      2.755931      3.184913
  C      -7.564373      1.641492      4.199359
  O      -8.602655      1.106387      4.610737
  N      -6.298600      1.373271      4.632975
  C      -6.088516      0.643944      5.765942
  C      -7.423073      2.592242      1.819084
  H      -9.680580     -0.050691      2.523449
  H      -9.942045     -0.402282      0.775735
  H     -10.124978     -1.685674      2.017408
  H      -9.059565     -2.160781      3.956490
  H      -7.690384     -2.963184      5.879608
  H      -1.136702     -0.764964      3.808317
  H      -5.459828     -1.179784      1.817000
  H      -9.530339     10.931045      0.961767
  H      -8.135613     11.686859      0.178234
  H      -9.383203     10.867971     -0.822155
  H      -7.783686     11.044377      2.530468
  H      -6.323493     10.496064      4.472815
  H      -4.359385      4.101888      2.468890
  H      -6.381706      7.489102      0.533774
  H      -6.954801      4.275805     -2.464327
  H      -6.572754      5.434535     -1.151299
  H      -8.259896      5.017456     -1.476725
  H      -7.922542      5.800176      0.752842
  H      -8.294150      6.115228      3.203355
  H      -6.861600      0.151530      6.365395
  H      -7.207198      1.607629      1.398176
  N      -4.280997      1.572266      2.095769
  H      -3.670490      0.859347      1.680422
  H      -4.099055      2.445801      1.591747
  H      -5.243479      1.320033      1.850500
90
Coordinates from ORCA-job orca E -6670.676659256124
  N      -1.989291      1.183231      4.065744
  Mo     -4.018170      1.599358      4.331011
  N      -4.794843      0.672543      6.001117
  C      -4.043220      0.348729      7.189046
  C      -2.705348      1.089749      7.033059
  N      -2.888797      2.288138      6.163867
  C      -1.574462      2.842078      5.719139
  C      -0.904763      1.912608      4.684333
  C      -3.680816      3.347168      6.845822
  C      -4.335135      4.284382      5.824949
  N      -4.282839      3.684626      4.484221
  H      -0.353301      2.531182      3.958726
  H      -0.184740      1.223508      5.152985
  H      -1.792003      3.812634      5.256764
  H      -0.924024      3.015453      6.592209
  H      -5.391531      4.440940      6.096391
  H      -3.865584      5.278677      5.815802
  H      -4.442610      2.843268      7.451880
  H      -3.026049      3.909945      7.532605
  H      -3.857743     -0.733512      7.280654
  H      -4.592141      0.671268      8.088887
  H      -1.980741      0.437185      6.531505
  H      -2.282518      1.385473      8.008401
  C      -9.572805     -0.772617      1.746621
  C      -8.107064     -1.085033      1.578391
  O      -7.521259     -0.850528      0.523764
  C      -7.356899     -1.628699      2.753017
  C      -7.991894     -2.129935      3.899317
  C      -7.239979     -2.591105      4.976258
  C      -5.853101     -2.518063      4.904921
  F      -5.129257     -2.910345      5.984652
  C      -5.182047     -1.996782      3.796893
  C      -3.685372     -1.827232      3.783004
  O      -2.915005     -2.789184      3.771726
  N      -3.319064     -0.503200      3.807562
  C      -2.020511     -0.119336      3.839249
  C      -5.957355     -1.569798      2.721414
  C      -8.854937     10.794351      0.102657
  C      -8.069101      9.503834      0.181686
  O      -8.136637      8.670123     -0.719206
  C      -7.215388      9.263620      1.383021
  C      -7.226063     10.108251      2.506934
  C      -6.435153      9.811083      3.612643
  C      -5.647606      8.661285      3.601991
  F      -4.885378      8.428436      4.692486
  C      -5.603109      7.792014      2.502054
  C      -4.821930      6.508329      2.419208
  O      -4.358641      6.156281      1.321585
  N      -4.768813      5.808570      3.605391
  C      -4.460181      4.526078      3.469704
  C      -6.384165      8.138319      1.397252
  C      -7.159093      4.648735     -1.438268
  C      -7.062867      3.484138     -0.481753
  O      -6.624335      2.394879     -0.847276
  C      -7.462059      3.698514      0.942608
  C      -7.827951      4.960067      1.434857
  C      -8.072184      5.143465      2.793253
  C      -7.951162      4.051683      3.641747
  F      -8.132097      4.240929      4.972158
  C      -7.632855      2.765554      3.189620
  C      -7.564115      1.646085      4.198794
  O      -8.601105      1.107622      4.607555
  N      -6.297222      1.382111      4.634714
  C      -6.086488      0.654120      5.768772
  C      -7.402306      2.607668      1.826460
  H      -9.702713     -0.030001      2.550955
  H      -9.967966     -0.378288      0.804730
  H     -10.140535     -1.668489      2.040160
  H      -9.078866     -2.148257      3.964088
  H      -7.712318     -2.966661      5.883828
  H      -1.150226     -0.784913      3.790578
  H      -5.477542     -1.163703      1.829104
  H      -9.573527     10.861368      0.933900
  H      -8.187112     11.665201      0.182696
  H      -9.396640     10.828816     -0.848341
  H      -7.852654     11.000211      2.528691
  H      -6.416664     10.456635      4.491216
  H      -4.356342      4.109748      2.461425
  H      -6.348734      7.491871      0.520301
  H      -6.847406      4.321707     -2.435743
  H      -6.508918      5.472215     -1.104183
  H      -8.184384      5.045727     -1.478309
  H      -7.899149      5.817086      0.766142
  H      -8.320112      6.120550      3.206591
  H      -6.859123      0.164358      6.370906
  H      -7.174101      1.625965      1.405536
  N      -4.279890      1.566203      2.088217
  H      -3.642236      0.879541      1.668648
  H      -4.133648      2.448456      1.587994
  H      -5.230812      1.274819      1.842188
90
Coordinates from ORCA-job orca E -6670.676761395487
  N      -1.989942      1.182489      4.057446
  Mo     -4.018114      1.601608      4.327033
  N      -4.794787      0.676247      5.996585
  C      -4.042808      0.349012      7.183670
  C      -2.702095      1.085294      7.025934
  N      -2.884372      2.284922      6.158815
  C      -1.570935      2.839048      5.711623
  C      -0.903864      1.911283      4.673567
  C      -3.673529      3.343992      6.844550
  C      -4.328846      4.284415      5.827580
  N      -4.276933      3.687969      4.484440
  H      -0.352421      2.529933      3.948128
  H      -0.184010      1.220880      5.140922
  H      -1.790632      3.809958      5.250921
  H      -0.918587      3.011452      6.583420
  H      -5.385305      4.439483      6.099912
  H      -3.859827      5.278768      5.821216
  H      -4.434394      2.840555      7.451859
  H      -3.015534      3.903780      7.530611
  H      -3.863605     -0.734057      7.276589
  H      -4.588047      0.676208      8.084117
  H      -1.980493      0.431377      6.521646
  H      -2.276999      1.378418      8.001026
  C      -9.586635     -0.788695      1.764679
  C      -8.115230     -1.075378      1.598319
  O      -7.530049     -0.818271      0.548251
  C      -7.360617     -1.623351      2.767206
  C      -7.993308     -2.130807      3.911660
  C      -7.240543     -2.594333      4.986898
  C      -5.853911     -2.519638      4.913285
  F      -5.127502     -2.914228      5.990636
  C      -5.184894     -1.994257      3.806099
  C      -3.687858     -1.826266      3.789937
  O      -2.918544     -2.789421      3.789938
  N      -3.321103     -0.502705      3.800041
  C      -2.022845     -0.119939      3.831392
  C      -5.961010     -1.561822      2.733314
  C      -8.842416     10.796504      0.091223
  C      -8.046482      9.512371      0.170715
  O      -8.091555      8.686828     -0.739175
  C      -7.210735      9.267448      1.383599
  C      -7.247655     10.100696      2.515185
  C      -6.472191      9.800406      3.631095
  C      -5.673951      8.657939      3.622404
  F      -4.927337      8.421095      4.722628
  C      -5.604089      7.799815      2.515031
  C      -4.808780      6.524558      2.435004
  O      -4.319879      6.186148      1.344682
  N      -4.769627      5.815145      3.615402
  C      -4.454187      4.535006      3.474260
  C      -6.369291      8.149573      1.400270
  C      -7.158021      4.648322     -1.448019
  C      -7.066959      3.482075     -0.492975
  O      -6.638189      2.389851     -0.861110
  C      -7.460419      3.697644      0.933210
  C      -7.820563      4.960305      1.426561
  C      -8.064911      5.143955      2.784975
  C      -7.946547      4.051908      3.632979
  F      -8.129812      4.240873      4.963007
  C      -7.630629      2.765520      3.180399
  C      -7.562539      1.644293      4.188093
  O      -8.598989      1.101301      4.591718
  N      -6.296374      1.384256      4.629117
  C      -6.086408      0.655204      5.762547
  C      -7.404107      2.606252      1.816666
  H      -9.732676     -0.061208      2.579662
  H      -9.983219     -0.384546      0.827462
  H     -10.140531     -1.699549      2.037906
  H      -9.080131     -2.150786      3.977843
  H      -7.711137     -2.971934      5.894193
  H      -1.152550     -0.785301      3.779607
  H      -5.483102     -1.153465      1.841264
  H      -9.574342     10.849105      0.911762
  H      -8.184058     11.672703      0.189072
  H      -9.369632     10.834790     -0.867765
  H      -7.882885     10.986601      2.535093
  H      -6.473976     10.437372      4.516099
  H      -4.343961      4.126024      2.463157
  H      -6.312003      7.512095      0.517824
  H      -6.847871      4.320800     -2.445833
  H      -6.502980      5.467207     -1.112144
  H      -8.180513      5.052146     -1.488605
  H      -7.888775      5.817817      0.758003
  H      -8.310405      6.121643      3.197302
  H      -6.858941      0.163225      6.363035
  H      -7.181726      1.623480      1.395657
  N      -4.284413      1.567165      2.085035
  H      -3.621908      0.907881      1.659595
  H      -4.179415      2.455774      1.585904
  H      -5.222921      1.234829      1.843986
90
Coordinates from ORCA-job orca E -6670.676860491318
  N      -1.991694      1.171337      4.044331
  Mo     -4.017466      1.597993      4.320962
  N      -4.791938      0.680536      5.993971
  C      -4.037528      0.350735      7.179093
  C      -2.693163      1.079742      7.015132
  N      -2.874275      2.278922      6.147803
  C      -1.561951      2.829573      5.693308
  C      -0.901265      1.898971      4.653563
  C      -3.657351      3.341198      6.836573
  C      -4.317595      4.281619      5.823010
  N      -4.269330      3.686379      4.477941
  H      -0.349984      2.514329      3.925301
  H      -0.182080      1.207181      5.120269
  H      -1.783337      3.799617      5.231505
  H      -0.905324      3.002925      6.561684
  H      -5.373443      4.434975      6.099195
  H      -3.850004      5.276495      5.816005
  H      -4.414965      2.841329      7.450586
  H      -2.992619      3.900376      7.516478
  H      -3.865942     -0.733237      7.274885
  H      -4.576687      0.684875      8.080685
  H      -1.976680      0.422157      6.508137
  H      -2.263244      1.371867      7.988327
  C      -9.602459     -0.774288      1.784724
  C      -8.129427     -1.052313      1.617202
  O      -7.544290     -0.776980      0.571248
  C      -7.373114     -1.611014      2.779084
  C      -8.005840     -2.121819      3.921705
  C      -7.254389     -2.591966      4.994990
  C      -5.867711     -2.521109      4.919623
  F      -5.140815     -2.920673      5.994820
  C      -5.198216     -1.994267      3.813544
  C      -3.700258     -1.831809      3.795519
  O      -2.934706     -2.798203      3.804804
  N      -3.328980     -0.509909      3.792431
  C      -2.029423     -0.131138      3.819410
  C      -5.973056     -1.553817      2.742951
  C      -8.854642     10.778935      0.078458
  C      -8.040980      9.505906      0.155285
  O      -8.058529      8.691212     -0.765354
  C      -7.221875      9.257927      1.378815
  C      -7.285253     10.079919      2.517295
  C      -6.523047      9.778480      3.642053
  C      -5.711878      8.645055      3.635009
  F      -4.978852      8.406295      4.743734
  C      -5.616473      7.797892      2.521104
  C      -4.804631      6.532936      2.443482
  O      -4.293085      6.208439      1.359718
  N      -4.773138      5.815554      3.618697
  C      -4.449992      4.537926      3.472435
  C      -6.368255      8.149161      1.397755
  C      -7.108315      4.663217     -1.437745
  C      -7.013056      3.499289     -0.480303
  O      -6.557942      2.414726     -0.839701
  C      -7.433953      3.708751      0.939108
  C      -7.811129      4.967702      1.428570
  C      -8.076939      5.148264      2.783428
  C      -7.961519      4.056761      3.632214
  F      -8.163338      4.243485      4.959749
  C      -7.628905      2.773584      3.182847
  C      -7.561169      1.650604      4.188975
  O      -8.597185      1.109317      4.595457
  N      -6.294397      1.388276      4.627781
  C      -6.084232      0.660486      5.762015
  C      -7.383479      2.616769      1.822176
  H      -9.752540     -0.055789      2.606656
  H      -9.998820     -0.360431      0.851557
  H     -10.152168     -1.691767      2.043713
  H      -9.092627     -2.138024      3.989475
  H      -7.724934     -2.970718      5.901592
  H      -1.160798     -0.798105      3.761084
  H      -5.495350     -1.145495      1.851062
  H      -9.596677     10.812711      0.890789
  H      -8.210671     11.663945      0.191645
  H      -9.370832     10.818568     -0.886486
  H      -7.930618     10.958501      2.535725
  H      -6.544853     10.407123      4.532727
  H      -4.336445      4.135938      2.458519
  H      -6.289599      7.520218      0.510730
  H      -6.775691      4.340452     -2.429879
  H      -6.470907      5.491298     -1.090515
  H      -8.135484      5.052204     -1.496542
  H      -7.874955      5.825437      0.759849
  H      -8.335110      6.124224      3.191426
  H      -6.856569      0.170366      6.364311
  H      -7.151050      1.635524      1.403622
  N      -4.283572      1.560012      2.079667
  H      -3.591911      0.933412      1.650756
  H      -4.223357      2.454041      1.583025
  H      -5.204572      1.181982      1.839507
90
Coordinates from ORCA-job orca E -6670.677007693361
  N      -1.992527      1.158411      4.032532
  Mo     -4.015750      1.593434      4.313530
  N      -4.790620      0.684999      5.989691
  C      -4.034943      0.352684      7.173472
  C      -2.686872      1.074270      7.004607
  N      -2.865423      2.272697      6.136244
  C      -1.553117      2.818662      5.676350
  C      -0.898047      1.884179      4.636431
  C      -3.642950      3.338793      6.826450
  C      -4.304513      4.279732      5.814147
  N      -4.260366      3.684084      4.467918
  H      -0.345986      2.495841      3.905680
  H      -0.180291      1.190867      5.103310
  H      -1.774280      3.787957      5.212800
  H      -0.893376      2.992617      6.542250
  H      -5.359329      4.435487      6.093443
  H      -3.835422      5.273792      5.805224
  H      -4.399186      2.842936      7.445107
  H      -2.972784      3.896814      7.501870
  H      -3.870147     -0.732108      7.271468
  H      -4.569282      0.692555      8.075794
  H      -1.975050      0.412648      6.496157
  H      -2.253132      1.365720      7.976242
  C      -9.619357     -0.754677      1.806750
  C      -8.145340     -1.026635      1.637930
  O      -7.560189     -0.736259      0.595590
  C      -7.387823     -1.595868      2.793290
  C      -8.020097     -2.106046      3.936232
  C      -7.268989     -2.581731      5.007313
  C      -5.882194     -2.517272      4.928553
  F      -5.154646     -2.920363      6.001841
  C      -5.212610     -1.993092      3.821285
  C      -3.713764     -1.837970      3.799214
  O      -2.952811     -2.808081      3.815610
  N      -3.336481     -0.518049      3.785592
  C      -2.035334     -0.144117      3.807828
  C      -5.987384     -1.546681      2.752982
  C      -8.876011     10.766868      0.082798
  C      -8.046072      9.504049      0.152584
  O      -8.043205      8.700477     -0.778001
  C      -7.237002      9.251605      1.381855
  C      -7.318524     10.062607      2.526969
  C      -6.563926      9.758344      3.656057
  C      -5.742573      8.632223      3.646669
  F      -5.017622      8.390312      4.759818
  C      -5.629665      7.795614      2.526351
  C      -4.805537      6.538607      2.446759
  O      -4.280445      6.226243      1.366162
  N      -4.775725      5.814021      3.617116
  C      -4.445786      4.538589      3.465946
  C      -6.373752      8.150138      1.398910
  C      -7.049212      4.662197     -1.435610
  C      -6.940222      3.508611     -0.467358
  O      -6.443211      2.436170     -0.807769
  C      -7.399897      3.714357      0.940465
  C      -7.805426      4.968671      1.418490
  C      -8.100880      5.149070      2.767274
  C      -7.986464      4.062064      3.621719
  F      -8.215099      4.250364      4.944504
  C      -7.627766      2.782531      3.182498
  C      -7.561224      1.661518      4.190815
  O      -8.597419      1.127381      4.605945
  N      -6.293425      1.392902      4.623758
  C      -6.083424      0.667537      5.759448
  C      -7.353783      2.625499      1.827483
  H      -9.771279     -0.041238      2.632579
  H     -10.015933     -0.334737      0.876337
  H     -10.166205     -1.676169      2.057223
  H      -9.106790     -2.116512      4.007035
  H      -7.739043     -2.959228      5.914544
  H      -1.168792     -0.813113      3.743024
  H      -5.510267     -1.142606      1.859070
  H      -9.622138     10.783862      0.891818
  H      -8.244306     11.659349      0.206193
  H      -9.387715     10.808103     -0.884489
  H      -7.971850     10.935225      2.547251
  H      -6.599307     10.378841      4.551998
  H      -4.330303      4.142353      2.449609
  H      -6.281023      7.529500      0.507418
  H      -6.688673      4.341542     -2.418653
  H      -6.439231      5.508077     -1.082005
  H      -8.084308      5.024789     -1.517098
  H      -7.867353      5.823626      0.746114
  H      -8.380451      6.122824      3.165929
  H      -6.856168      0.180906      6.364100
  H      -7.104143      1.645739      1.416326
  N      -4.272139      1.552405      2.072266
  H      -3.549472      0.961123      1.643834
  H      -4.254621      2.450133      1.578971
  H      -5.171625      1.129491      1.826096
90
Coordinates from ORCA-job orca E -6670.677232291122
  N      -1.993299      1.140376      4.020661
  Mo     -4.013156      1.586994      4.305394
  N      -4.789574      0.690815      5.986138
  C      -4.032411      0.355652      7.168223
  C      -2.680117      1.068495      6.993779
  N      -2.854642      2.265329      6.122832
  C      -1.541361      2.803661      5.657205
  C      -0.893395      1.862538      4.618794
  C      -3.625210      3.337054      6.813077
  C      -4.284666      4.279182      5.800219
  N      -4.248663      3.680426      4.454022
  H      -0.339541      2.468658      3.884752
  H      -0.178259      1.167011      5.086525
  H      -1.760011      3.772023      5.190454
  H      -0.878378      2.978151      6.520547
  H      -5.337217      4.443295      6.083634
  H      -3.809563      5.270318      5.786674
  H      -4.381940      2.846773      7.435271
  H      -2.949741      3.893069      7.484806
  H      -3.874245     -0.730025      7.267594
  H      -4.561681      0.700490      8.071620
  H      -1.973506      0.401463      6.485036
  H      -2.242293      1.360183      7.963453
  C      -9.637907     -0.717950      1.828385
  C      -8.164283     -0.990763      1.658295
  O      -7.577344     -0.686679      0.620436
  C      -7.408144     -1.574403      2.806982
  C      -8.040754     -2.083686      3.950146
  C      -7.290104     -2.567586      5.017987
  C      -5.903066     -2.511780      4.935865
  F      -5.175728     -2.920624      6.006794
  C      -5.232736     -1.990871      3.827451
  C      -3.732969     -1.845908      3.799839
  O      -2.978325     -2.820982      3.818349
  N      -3.346846     -0.528605      3.779959
  C      -2.043410     -0.162117      3.795465
  C      -6.007458     -1.536928      2.762294
  C      -8.916067     10.748489      0.099464
  C      -8.068817      9.496669      0.158391
  O      -8.050241      8.704391     -0.781684
  C      -7.262505      9.240956      1.388787
  C      -7.354884     10.042286      2.539912
  C      -6.601390      9.735811      3.669024
  C      -5.770886      8.616421      3.654022
  F      -5.047723      8.372374      4.767709
  C      -5.647560      7.788967      2.527937
  C      -4.813772      6.538547      2.442627
  O      -4.284671      6.235642      1.361367
  N      -4.778189      5.809153      3.609436
  C      -4.442914      4.535433      3.454143
  C      -6.390307      8.146409      1.400515
  C      -6.963703      4.651099     -1.431204
  C      -6.835112      3.517363     -0.442491
  O      -6.277861      2.464273     -0.749676
  C      -7.350754      3.720215      0.945828
  C      -7.798999      4.967669      1.402592
  C      -8.138443      5.149739      2.740835
  C      -8.026195      4.071068      3.606209
  F      -8.295461      4.263802      4.920461
  C      -7.627751      2.796847      3.186050
  C      -7.562871      1.681412      4.200097
  O      -8.599565      1.161338      4.631494
  N      -6.293217      1.400258      4.620928
  C      -6.083115      0.679269      5.759188
  C      -7.309439      2.638384      1.841238
  H      -9.787404     -0.005163      2.655238
  H     -10.033729     -0.294146      0.899370
  H     -10.186118     -1.639271      2.076062
  H      -9.127308     -2.086542      4.024251
  H      -7.760025     -2.945068      5.925311
  H      -1.180361     -0.834700      3.722888
  H      -5.530494     -1.137857      1.866218
  H      -9.660900     10.749160      0.909771
  H      -8.296421     11.648654      0.228314
  H      -9.429391     10.790115     -0.866965
  H      -8.015311     10.909391      2.564913
  H      -6.644526     10.349209      4.569512
  H      -4.330332      4.142604      2.435851
  H      -6.289540      7.533251      0.504795
  H      -6.565829      4.330590     -2.399797
  H      -6.393170      5.523048     -1.074969
  H      -8.008765      4.974309     -1.543585
  H      -7.859504      5.816774      0.722835
  H      -8.450406      6.120207      3.123243
  H      -6.856718      0.199524      6.368311
  H      -7.032208      1.660973      1.443769
  N      -4.248678      1.544468      2.063220
  H      -3.496308      0.986623      1.640683
  H      -4.263831      2.444939      1.574812
  H      -5.125214      1.084658      1.801662
90
Coordinates from ORCA-job orca E -6670.677475118800
  N      -1.993631      1.123849      4.010281
  Mo     -4.010609      1.580483      4.297300
  N      -4.788635      0.695024      5.982138
  C      -4.030430      0.358013      7.163068
  C      -2.674805      1.063561      6.983925
  N      -2.845720      2.258818      6.110372
  C      -1.531437      2.790227      5.640306
  C      -0.889343      1.843060      4.603770
  C      -3.610594      3.335526      6.799596
  C      -4.266357      4.278925      5.785193
  N      -4.238688      3.676104      4.439728
  H      -0.333973      2.444314      3.866835
  H      -0.176451      1.145933      5.072600
  H      -1.747263      3.757759      5.170501
  H      -0.865921      2.965067      6.501664
  H      -5.316292      4.453475      6.072159
  H      -3.783739      5.266408      5.766306
  H      -4.368819      2.850423      7.423780
  H      -2.931484      3.889634      7.469234
  H      -3.877506     -0.728309      7.263957
  H      -4.555778      0.707028      8.067128
  H      -1.972527      0.391937      6.475171
  H      -2.233585      1.355597      7.951922
  C      -9.651969     -0.679839      1.847584
  C      -8.179287     -0.956132      1.675602
  O      -7.590632     -0.641083      0.641626
  C      -7.425114     -1.553754      2.818164
  C      -8.058326     -2.062239      3.961417
  C      -7.308292     -2.554418      5.025986
  C      -5.921036     -2.507310      4.941024
  F      -5.194398     -2.922224      6.009691
  C      -5.249733     -1.989401      3.831696
  C      -3.749278     -1.853787      3.799622
  O      -3.000073     -2.833016      3.820970
  N      -3.355321     -0.538744      3.774573
  C      -2.049992     -0.178646      3.784722
  C      -6.024290     -1.527918      2.769661
  C      -8.951494     10.737322      0.116236
  C      -8.093489      9.492448      0.165552
  O      -8.066596      8.708679     -0.781453
  C      -7.287418      9.232747      1.395265
  C      -7.384615     10.026474      2.551295
  C      -6.630275      9.716877      3.678851
  C      -5.794480      8.601471      3.657678
  F      -5.070775      8.354699      4.770264
  C      -5.666616      7.781095      2.526796
  C      -4.827010      6.534839      2.435140
  O      -4.298220      6.238579      1.351902
  N      -4.783746      5.802170      3.599307
  C      -4.443228      4.530120      3.441053
  C      -6.410017      8.142259      1.400985
  C      -6.882197      4.636984     -1.423283
  C      -6.737137      3.525026     -0.412799
  O      -6.126175      2.491914     -0.685230
  C      -7.305114      3.724783      0.954807
  C      -7.795277      4.964323      1.388932
  C      -8.178832      5.146934      2.715227
  C      -8.069643      4.076528      3.591392
  F      -8.381410      4.272531      4.895508
  C      -7.630557      2.808933      3.191773
  C      -7.566061      1.699541      4.211548
  O      -8.602550      1.194302      4.660937
  N      -6.294279      1.404919      4.617942
  C      -6.082847      0.688310      5.758476
  C      -7.267536      2.650332      1.858690
  H      -9.796507      0.033658      2.674780
  H     -10.047048     -0.252925      0.919644
  H     -10.203626     -1.599092      2.094781
  H      -9.144713     -2.057773      4.038537
  H      -7.778441     -2.932142      5.933122
  H      -1.189967     -0.854202      3.705087
  H      -5.547064     -1.132451      1.872237
  H      -9.692998     10.727804      0.929479
  H      -8.338840     11.642028      0.246933
  H      -9.468566     10.779547     -0.848176
  H      -8.049111     10.890291      2.581185
  H      -6.676573     10.324642      4.582997
  H      -4.334135      4.139271      2.421325
  H      -6.305742      7.535090      0.501666
  H      -6.450299      4.315631     -2.376921
  H      -6.348819      5.532666     -1.068255
  H      -7.934468      4.922983     -1.564493
  H      -7.854394      5.807330      0.701598
  H      -8.522769      6.113123      3.080750
  H      -6.856674      0.215103      6.372484
  H      -6.961097      1.676319      1.476166
  N      -4.224028      1.536364      2.054317
  H      -3.443578      1.012644      1.638791
  H      -4.272452      2.437261      1.568989
  H      -5.076012      1.040434      1.778782
90
Coordinates from ORCA-job orca E -6670.677836283178
  N      -1.993504      1.122921      4.008080
  Mo     -4.010052      1.582254      4.292010
  N      -4.792306      0.694383      5.973678
  C      -4.037940      0.357782      7.157204
  C      -2.681217      1.061450      6.980648
  N      -2.848873      2.257154      6.106841
  C      -1.532649      2.787308      5.641315
  C      -0.889841      1.840856      4.604578
  C      -3.615519      3.333425      6.794062
  C      -4.253620      4.286149      5.776811
  N      -4.236115      3.678110      4.432913
  H      -0.332793      2.442699      3.869437
  H      -0.178302      1.142665      5.073911
  H      -1.745271      3.756106      5.172669
  H      -0.869177      2.959114      6.504822
  H      -5.299631      4.482974      6.063470
  H      -3.752770      5.264440      5.753985
  H      -4.383238      2.848106      7.406252
  H      -2.941819      3.880281      7.475328
  H      -3.887144     -0.728583      7.260498
  H      -4.564872      0.709570      8.059293
  H      -1.978756      0.389356      6.472786
  H      -2.241693      1.352612      7.949707
  C      -9.670962     -0.702913      1.883369
  C      -8.193357     -0.950028      1.708496
  O      -7.608823     -0.605285      0.681475
  C      -7.430747     -1.557632      2.839799
  C      -8.056565     -2.080772      3.980522
  C      -7.299514     -2.578290      5.037462
  C      -5.912725     -2.523333      4.947281
  F      -5.180256     -2.942628      6.010013
  C      -5.248439     -1.993114      3.839276
  C      -3.748648     -1.854068      3.802770
  O      -2.996910     -2.831253      3.831847
  N      -3.356645     -0.538382      3.766925
  C      -2.050954     -0.179140      3.780321
  C      -6.030400     -1.525145      2.785379
  C      -8.943163     10.759207      0.117922
  C      -8.088933      9.511750      0.165004
  O      -8.061649      8.731338     -0.784824
  C      -7.288600      9.243837      1.396682
  C      -7.391157     10.030058      2.557228
  C      -6.642474      9.713026      3.686494
  C      -5.807109      8.597366      3.662369
  F      -5.088651      8.343958      4.776690
  C      -5.674524      7.783743      2.526844
  C      -4.835163      6.537344      2.431586
  O      -4.308179      6.242821      1.347030
  N      -4.789094      5.802071      3.593948
  C      -4.448382      4.530408      3.434082
  C      -6.411601      8.152949      1.399443
  C      -6.865234      4.645253     -1.431714
  C      -6.718692      3.533739     -0.421164
  O      -6.101310      2.503860     -0.691584
  C      -7.292771      3.729890      0.944364
  C      -7.790455      4.966778      1.377826
  C      -8.183047      5.145044      2.702144
  C      -8.075406      4.073337      3.576680
  F      -8.396883      4.265656      4.879057
  C      -7.627841      2.808657      3.177524
  C      -7.564711      1.698307      4.195839
  O      -8.601941      1.190818      4.641342
  N      -6.294069      1.403493      4.605260
  C      -6.085619      0.686161      5.745456
  C      -7.254522      2.654346      1.846800
  H      -9.827305     -0.005439      2.722107
  H     -10.072742     -0.267236      0.962310
  H     -10.207309     -1.634997      2.114985
  H      -9.142577     -2.083334      4.062156
  H      -7.764245     -2.966300      5.943012
  H      -1.190918     -0.854707      3.700831
  H      -5.558715     -1.121411      1.888687
  H      -9.689605     10.746829      0.926655
  H      -8.328879     11.661398      0.257802
  H      -9.454558     10.808572     -0.849179
  H      -8.055629     10.893826      2.589209
  H      -6.692974     10.315054      4.594240
  H      -4.343958      4.139001      2.413828
  H      -6.302204      7.552656      0.496234
  H      -6.429834      4.325508     -2.384297
  H      -6.335892      5.542852     -1.075391
  H      -7.917988      4.928272     -1.575509
  H      -7.849582      5.810479      0.691172
  H      -8.533449      6.108862      3.067943
  H      -6.861012      0.211893      6.356717
  H      -6.941762      1.682603      1.464171
  N      -4.212346      1.537781      2.048686
  H      -3.409563      1.047686      1.634559
  H      -4.299810      2.434733      1.561636
  H      -5.040761      1.004141      1.771743
90
Coordinates from ORCA-job orca E -6670.678152389667
  N      -1.995865      1.131177      4.006641
  Mo     -4.013412      1.586760      4.288008
  N      -4.796835      0.690747      5.965051
  C      -4.045576      0.356132      7.151200
  C      -2.690063      1.062539      6.978378
  N      -2.857804      2.259425      6.105792
  C      -1.540988      2.792576      5.645403
  C      -0.894840      1.850109      4.607003
  C      -3.629298      3.332435      6.791482
  C      -4.251924      4.293159      5.772750
  N      -4.242792      3.681540      4.430303
  H      -0.338209      2.455236      3.874293
  H      -0.182479      1.152281      5.075607
  H      -1.752870      3.762790      5.179475
  H      -0.879892      2.961777      6.511199
  H      -5.294529      4.508026      6.058547
  H      -3.735659      5.263462      5.747736
  H      -4.405743      2.844412      7.390417
  H      -2.963365      3.873380      7.485237
  H      -3.893390     -0.729826      7.256328
  H      -4.575761      0.708302      8.051261
  H      -1.985329      0.392709      6.470731
  H      -2.253051      1.352878      7.948853
  C      -9.686712     -0.757851      1.915575
  C      -8.203697     -0.968548      1.738634
  O      -7.626287     -0.595657      0.717471
  C      -7.429076     -1.577906      2.860653
  C      -8.044393     -2.118145      3.999120
  C      -7.277576     -2.616078      5.048693
  C      -5.891765     -2.546322      4.952910
  F      -5.150746     -2.967251      6.008955
  C      -5.237767     -2.000344      3.846155
  C      -3.739320     -1.851250      3.804525
  O      -2.981112     -2.823365      3.839444
  N      -3.355214     -0.533349      3.758272
  C      -2.050365     -0.170390      3.776657
  C      -6.029516     -1.530392      2.800497
  C      -8.910994     10.798197      0.109206
  C      -8.068533      9.542861      0.158143
  O      -8.043577      8.764019     -0.793021
  C      -7.276994      9.264891      1.393318
  C      -7.382040     10.046392      2.556695
  C      -6.641755      9.720244      3.688948
  C      -5.812263      8.600205      3.664719
  F      -5.101408      8.338761      4.781991
  C      -5.678078      7.790456      2.526347
  C      -4.844501      6.540227      2.429807
  O      -4.321859      6.242844      1.343901
  N      -4.797610      5.804545      3.591864
  C      -4.459969      4.532471      3.431225
  C      -6.406202      8.169065      1.396206
  C      -6.870305      4.662290     -1.437249
  C      -6.729681      3.542701     -0.434846
  O      -6.122179      2.509499     -0.714725
  C      -7.296084      3.735089      0.934572
  C      -7.787024      4.972101      1.375879
  C      -8.174989      5.145113      2.702232
  C      -8.069328      4.068261      3.570646
  F      -8.385438      4.255528      4.875145
  C      -7.627828      2.803856      3.163885
  C      -7.564868      1.689740      4.178025
  O      -8.602321      1.174214      4.613988
  N      -6.295517      1.399392      4.593903
  C      -6.089224      0.678260      5.732017
  C      -7.258691      2.654650      1.831305
  H      -9.859273     -0.081453      2.768195
  H     -10.096982     -0.313078      1.002606
  H     -10.202746     -1.705975      2.127296
  H      -9.129938     -2.133664      4.085104
  H      -7.734654     -3.016335      5.952760
  H      -1.188389     -0.843801      3.699646
  H      -5.565653     -1.114765      1.905170
  H      -9.664799     10.788816      0.911183
  H      -8.289962     11.694159      0.258880
  H      -9.413593     10.856515     -0.861997
  H      -8.042116     10.913557      2.588361
  H      -6.694291     10.318519      4.599046
  H      -4.361113      4.139430      2.411094
  H      -6.293633      7.573483      0.490251
  H      -6.439922      4.345638     -2.393144
  H      -6.333666      5.553799     -1.076442
  H      -7.921241      4.954333     -1.576539
  H      -7.843882      5.819654      0.693634
  H      -8.519821      6.108257      3.075142
  H      -6.865217      0.199077      6.338661
  H      -6.948357      1.684226      1.443047
  N      -4.219148      1.542156      2.044751
  H      -3.406122      1.072590      1.626990
  H      -4.336098      2.433679      1.553991
  H      -5.033750      0.983219      1.776803
90
Coordinates from ORCA-job orca E -6670.678517984577
  N      -1.999305      1.138764      4.004683
  Mo     -4.018047      1.590498      4.282887
  N      -4.802491      0.687820      5.956108
  C      -4.053957      0.355905      7.144803
  C      -2.699868      1.065559      6.975485
  N      -2.867739      2.262716      6.102950
  C      -1.550266      2.798376      5.647218
  C      -0.900750      1.858791      4.608284
  C      -3.644154      3.333245      6.785838
  C      -4.249984      4.301119      5.764772
  N      -4.250977      3.684398      4.424648
  H      -0.344321      2.466362      3.877462
  H      -0.187762      1.161559      5.076783
  H      -1.761343      3.769500      5.182969
  H      -0.891579      2.965948      6.515122
  H      -5.288467      4.535563      6.049896
  H      -3.717057      5.262430      5.736396
  H      -4.430057      2.843214      7.370750
  H      -2.986660      3.868545      7.492121
  H      -3.899534     -0.729555      7.251692
  H      -4.587583      0.707974      8.042881
  H      -1.992409      0.397677      6.469122
  H      -2.265779      1.356350      7.947158
  C      -9.703259     -0.817075      1.947317
  C      -8.215125     -0.987909      1.770536
  O      -7.645247     -0.585477      0.756438
  C      -7.428463     -1.598842      2.883253
  C      -8.032669     -2.157343      4.018900
  C      -7.255593     -2.655922      5.060566
  C      -5.871011     -2.571009      4.958946
  F      -5.121077     -2.994224      6.007645
  C      -5.227917     -2.008222      3.853921
  C      -3.730968     -1.848953      3.805933
  O      -2.966523     -2.816133      3.844728
  N      -3.354627     -0.528972      3.750156
  C      -2.050703     -0.162309      3.772811
  C      -6.029924     -1.535691      2.817400
  C      -8.883755     10.839966      0.107478
  C      -8.053132      9.576692      0.154917
  O      -8.033607      8.799979     -0.798070
  C      -7.267090      9.287880      1.391156
  C      -7.369474     10.065619      2.557190
  C      -6.634549      9.729654      3.690081
  C      -5.813151      8.603700      3.663808
  F      -5.106752      8.333989      4.781896
  C      -5.682460      7.796792      2.522760
  C      -4.857859      6.540831      2.422736
  O      -4.344224      6.238802      1.333699
  N      -4.807221      5.805929      3.585176
  C      -4.474235      4.532812      3.424425
  C      -6.404741      8.185448      1.392201
  C      -6.861345      4.677897     -1.439086
  C      -6.727951      3.552101     -0.442779
  O      -6.123767      2.518090     -0.727043
  C      -7.295302      3.740026      0.926888
  C      -7.783279      4.976610      1.373087
  C      -8.171769      5.144732      2.699858
  C      -8.069015      4.063759      3.563639
  F      -8.383932      4.246765      4.869031
  C      -7.630446      2.799947      3.151828
  C      -7.567807      1.682912      4.162627
  O      -8.605269      1.162124      4.592466
  N      -6.299193      1.395484      4.582638
  C      -6.094130      0.671077      5.718863
  C      -7.261174      2.655377      1.818732
  H      -9.894332     -0.161833      2.812243
  H     -10.122543     -0.365490      1.041833
  H     -10.196099     -1.781547      2.139683
  H      -9.117583     -2.186346      4.109236
  H      -7.704375     -3.069386      5.962835
  H      -1.187004     -0.833852      3.698673
  H      -5.574533     -1.106856      1.923985
  H      -9.642119     10.833509      0.905228
  H      -8.255505     11.729494      0.265103
  H      -9.380686     10.907537     -0.866035
  H      -8.023301     10.937467      2.590329
  H      -6.684997     10.324886      4.602286
  H      -4.383802      4.136608      2.404865
  H      -6.293526      7.593452      0.483745
  H      -6.430344      4.364649     -2.395828
  H      -6.321705      5.565147     -1.072183
  H      -7.910732      4.975312     -1.578962
  H      -7.836317      5.827531      0.694620
  H      -8.513923      6.106971      3.077710
  H      -6.870377      0.187282      6.321515
  H      -6.951455      1.686207      1.426712
  N      -4.225106      1.544880      2.039147
  H      -3.402436      1.094554      1.619262
  H      -4.368447      2.430476      1.544701
  H      -5.025772      0.962760      1.778384
90
Coordinates from ORCA-job orca E -6670.678889062936
  N      -2.003644      1.145279      4.000809
  Mo     -4.023426      1.593812      4.276378
  N      -4.808866      0.686285      5.946618
  C      -4.062631      0.356694      7.137451
  C      -2.709662      1.068852      6.971009
  N      -2.877298      2.265961      6.098093
  C      -1.559074      2.803291      5.646358
  C      -0.906947      1.865872      4.607123
  C      -3.657786      3.334861      6.777942
  C      -4.247808      4.308872      5.754624
  N      -4.259044      3.687178      4.416896
  H      -0.350330      2.475188      3.877908
  H      -0.193733      1.168885      5.075615
  H      -1.769030      3.775185      5.183368
  H      -0.902448      2.969380      6.516069
  H      -5.281932      4.561953      6.039337
  H      -3.699114      5.261322      5.722726
  H      -4.452545      2.843691      7.349943
  H      -3.008001      3.864990      7.495344
  H      -3.906335     -0.728362      7.245849
  H      -4.599114      0.708691      8.033857
  H      -1.999979      0.402283      6.466072
  H      -2.278118      1.360314      7.943628
  C      -9.721528     -0.876536      1.979990
  C      -8.229056     -1.006344      1.804915
  O      -7.667133     -0.573699      0.798883
  C      -7.430217     -1.618526      2.908215
  C      -8.022634     -2.195507      4.040889
  C      -7.234817     -2.695232      5.073971
  C      -5.851684     -2.595428      4.965905
  F      -5.092346     -3.021720      6.006388
  C      -5.220159     -2.015656      3.862678
  C      -3.724790     -1.847015      3.806652
  O      -2.954653     -2.809668      3.847961
  N      -3.355509     -0.525234      3.741738
  C      -2.052428     -0.155357      3.767311
  C      -6.032916     -1.540119      2.836116
  C      -8.861672     10.881087      0.110738
  C      -8.041291      9.610984      0.154544
  O      -8.026550      8.837823     -0.801370
  C      -7.259635      9.310957      1.390937
  C      -7.358167     10.084561      2.559986
  C      -6.627376      9.738499      3.692516
  C      -5.814092      8.606743      3.662948
  F      -5.111013      8.328461      4.780995
  C      -5.688100      7.803037      2.518896
  C      -4.872770      6.541356      2.414077
  O      -4.369826      6.234852      1.321159
  N      -4.816919      5.807242      3.576776
  C      -4.488546      4.533084      3.415687
  C      -6.405772      8.202000      1.388928
  C      -6.839132      4.689997     -1.439575
  C      -6.713877      3.560457     -0.446672
  O      -6.107897      2.527156     -0.730277
  C      -7.289235      3.744511      0.920046
  C      -7.778509      4.980279      1.367459
  C      -8.172868      5.144609      2.692915
  C      -8.073901      4.061065      3.554137
  F      -8.392361      4.241252      4.859012
  C      -7.634234      2.798160      3.140631
  C      -7.572284      1.679345      4.149201
  O      -8.609716      1.155450      4.575449
  N      -6.304012      1.392900      4.571163
  C      -6.099898      0.666103      5.705937
  C      -7.259747      2.657083      1.808661
  H      -9.931734     -0.241198      2.855052
  H     -10.150054     -0.420524      1.081104
  H     -10.189768     -1.856509      2.154689
  H      -9.106715     -2.238011      4.135916
  H      -7.674641     -3.122488      5.974243
  H      -1.187402     -0.825450      3.695477
  H      -5.586742     -1.097960      1.944624
  H      -9.623439     10.876151      0.905290
  H      -8.227169     11.764755      0.276024
  H      -9.354185     10.957946     -0.864327
  H      -8.005585     10.961090      2.595716
  H      -6.674736     10.330408      4.607045
  H      -4.406731      4.133931      2.396711
  H      -6.296994      7.613743      0.477784
  H      -6.402965      4.379503     -2.394877
  H      -6.299933      5.574779     -1.065959
  H      -7.887139      4.989929     -1.584522
  H      -7.827010      5.833476      0.691433
  H      -8.515767      6.105871      3.072808
  H      -6.876330      0.178488      6.305287
  H      -6.948233      1.688953      1.415662
  N      -4.229159      1.547085      2.031916
  H      -3.395741      1.117886      1.611241
  H      -4.398773      2.426294      1.534405
  H      -5.013764      0.941445      1.775595
90
Coordinates from ORCA-job orca E -6670.679222868928
  N      -2.008002      1.149667      3.995260
  Mo     -4.028566      1.596211      4.268051
  N      -4.815873      0.685461      5.935732
  C      -4.072333      0.358038      7.128889
  C      -2.719835      1.071269      6.965034
  N      -2.886165      2.268197      6.091440
  C      -1.566775      2.806010      5.643598
  C      -0.912692      1.870065      4.604347
  C      -3.669735      3.336512      6.767944
  C      -4.245418      4.315495      5.742471
  N      -4.265995      3.689341      4.406963
  H      -0.355113      2.480448      3.876768
  H      -0.199963      1.172781      5.073123
  H      -1.774854      3.778706      5.181612
  H      -0.912120      2.970333      6.515092
  H      -5.275228      4.585694      6.026761
  H      -3.682393      5.259591      5.707156
  H      -4.472452      2.845249      7.328830
  H      -3.026512      3.862227      7.494594
  H      -3.915220     -0.726718      7.239357
  H      -4.611352      0.710924      8.023430
  H      -2.008673      0.405135      6.461622
  H      -2.290496      1.363224      7.938492
  C      -9.740536     -0.930029      2.017197
  C      -8.245156     -1.021750      1.842907
  O      -7.692113     -0.560114      0.844860
  C      -7.433876     -1.636211      2.935799
  C      -8.013903     -2.230576      4.065936
  C      -7.214982     -2.732305      5.089584
  C      -5.833458     -2.619217      4.973904
  F      -5.064339     -3.049092      6.005435
  C      -5.214006     -2.023374      3.872052
  C      -3.720269     -1.846298      3.806811
  O      -2.944912     -2.804731      3.850843
  N      -3.357252     -0.522998      3.732199
  C      -2.054879     -0.150569      3.760176
  C      -6.037937     -1.544510      2.856138
  C      -8.844210     10.919649      0.116509
  C      -8.031985      9.644142      0.155314
  O      -8.020350      8.875804     -0.804491
  C      -7.254904      9.332601      1.391789
  C      -7.350663     10.100929      2.564497
  C      -6.624015      9.744565      3.696483
  C      -5.817786      8.607874      3.662825
  F      -5.118065      8.320768      4.780702
  C      -5.695418      7.808514      2.515127
  C      -4.888160      6.542025      2.404752
  O      -4.395417      6.232446      1.307919
  N      -4.826546      5.807961      3.567136
  C      -4.501503      4.533130      3.405223
  C      -6.408499      8.218008      1.385972
  C      -6.806205      4.702189     -1.438672
  C      -6.689323      3.570434     -0.447622
  O      -6.076791      2.539540     -0.726825
  C      -7.278873      3.749866      0.913396
  C      -7.774474      4.983739      1.359397
  C      -8.179580      5.144154      2.682043
  C      -8.084351      4.058980      3.541852
  F      -8.411095      4.236493      4.844955
  C      -7.638768      2.797941      3.128970
  C      -7.577570      1.677754      4.135581
  O      -8.614899      1.152046      4.559964
  N      -6.309333      1.390880      4.557898
  C      -6.106276      0.662424      5.691629
  C      -7.254133      2.660443      1.799643
  H      -9.966836     -0.311311      2.899953
  H     -10.178736     -0.471927      1.124080
  H     -10.185472     -1.923085      2.178168
  H      -9.096952     -2.285199      4.166622
  H      -7.645303     -3.172791      5.988091
  H      -1.188913     -0.819643      3.690138
  H      -5.601572     -1.089904      1.966176
  H      -9.608821     10.914702      0.908349
  H      -8.204754     11.798260      0.289489
  H      -9.332895     11.005579     -0.859722
  H      -7.992435     10.981475      2.603431
  H      -6.669078     10.332313      4.613808
  H      -4.426747      4.131985      2.386665
  H      -6.301323      7.634278      0.471787
  H      -6.360513      4.394837     -2.390592
  H      -6.271176      5.586161     -1.057027
  H      -7.853029      5.001753     -1.592726
  H      -7.818541      5.838571      0.685080
  H      -8.527062      6.103868      3.061911
  H      -6.883037      0.171743      6.288086
  H      -6.937495      1.693679      1.407857
  N      -4.229320      1.548652      2.022687
  H      -3.382302      1.146385      1.602661
  H      -4.429306      2.419777      1.522232
  H      -4.992653      0.915537      1.768297
90
Coordinates from ORCA-job orca E -6670.679695374133
  N      -2.018627      1.141515      3.983593
  Mo     -4.037250      1.595625      4.257508
  N      -4.824690      0.694278      5.930601
  C      -4.078716      0.365960      7.121565
  C      -2.725670      1.076147      6.952921
  N      -2.889260      2.271630      6.075350
  C      -1.567354      2.801771      5.625567
  C      -0.919016      1.859175      4.588959
  C      -3.669787      3.345360      6.744733
  C      -4.216807      4.330177      5.710515
  N      -4.264585      3.689943      4.382890
  H      -0.361877      2.465556      3.857575
  H      -0.207187      1.161162      5.057622
  H      -1.768792      3.774487      5.161130
  H      -0.911106      2.964439      6.496231
  H      -5.234151      4.641126      5.996769
  H      -3.621064      5.253907      5.660479
  H      -4.487916      2.861243      7.289532
  H      -3.034235      3.863068      7.484127
  H      -3.922213     -0.719077      7.231969
  H      -4.615171      0.719576      8.017275
  H      -2.017189      0.406501      6.450494
  H      -2.293410      1.369716      7.924638
  C      -9.756825     -1.051359      1.985947
  C      -8.258292     -1.112913      1.831072
  O      -7.702810     -0.650563      0.834933
  C      -7.446605     -1.696454      2.941522
  C      -8.022992     -2.281146      4.078976
  C      -7.219801     -2.757715      5.111762
  C      -5.839064     -2.629526      4.999796
  F      -5.069739     -3.038780      6.038643
  C      -5.223565     -2.040585      3.891234
  C      -3.731999     -1.855613      3.821569
  O      -2.951826     -2.809530      3.875012
  N      -3.372427     -0.530920      3.731819
  C      -2.069457     -0.159717      3.753903
  C      -6.052154     -1.589127      2.867041
  C      -8.875518     10.926557      0.137421
  C      -8.081739      9.639261      0.170089
  O      -8.106523      8.860344     -0.780750
  C      -7.271552      9.333554      1.386826
  C      -7.322261     10.117781      2.551961
  C      -6.567395      9.765214      3.666271
  C      -5.777298      8.617623      3.623477
  F      -5.048808      8.336595      4.724391
  C      -5.698971      7.802163      2.482869
  C      -4.912777      6.523244      2.362739
  O      -4.477572      6.185837      1.249397
  N      -4.822594      5.802168      3.531195
  C      -4.513704      4.522867      3.375378
  C      -6.440681      8.207557      1.370666
  C      -6.697551      4.778993     -1.374111
  C      -6.577827      3.655953     -0.374416
  O      -5.911571      2.649997     -0.622258
  C      -7.235108      3.811979      0.957091
  C      -7.783289      5.029778      1.386148
  C      -8.241234      5.173418      2.693212
  C      -8.147984      4.087872      3.553631
  F      -8.523458      4.254535      4.844694
  C      -7.654640      2.840152      3.153736
  C      -7.591998      1.718049      4.156953
  O      -8.627661      1.184865      4.577202
  N      -6.321815      1.418673      4.565432
  C      -6.116343      0.681187      5.692905
  C      -7.215249      2.719825      1.839946
  H     -10.005443     -0.418912      2.852929
  H     -10.194351     -0.621179      1.078870
  H     -10.183260     -2.049406      2.165103
  H      -9.105696     -2.351413      4.175609
  H      -7.647742     -3.194692      6.013468
  H      -1.205715     -0.831955      3.686934
  H      -5.618406     -1.144528      1.970885
  H      -9.620073     10.942346      0.948036
  H      -8.218475     11.796854      0.285120
  H      -9.387337     11.009603     -0.827106
  H      -7.950958     11.007343      2.598378
  H      -6.577782     10.364911      4.576888
  H      -4.464569      4.108415      2.360661
  H      -6.369896      7.611367      0.461028
  H      -6.207627      4.484619     -2.308217
  H      -6.207552      5.682416     -0.977597
  H      -7.748423      5.040765     -1.565842
  H      -7.823385      5.886263      0.713856
  H      -8.627249      6.122059      3.064893
  H      -6.893103      0.194416      6.292534
  H      -6.853949      1.764068      1.461078
  N      -4.237310      1.536549      2.011791
  H      -3.389259      1.133198      1.595623
  H      -4.444452      2.398348      1.497942
  H      -4.998085      0.896255      1.767636
90
Coordinates from ORCA-job orca E -6670.680004591261
  N      -2.014836      1.169756      3.998134
  Mo     -4.036297      1.616830      4.263398
  N      -4.826303      0.716578      5.936812
  C      -4.079229      0.391568      7.127619
  C      -2.730057      1.108081      6.962686
  N      -2.894654      2.302153      6.083121
  C      -1.570898      2.832978      5.638722
  C      -0.917452      1.888716      4.607010
  C      -3.682629      3.375055      6.743513
  C      -4.201295      4.361470      5.699287
  N      -4.266902      3.711010      4.378843
  H      -0.361106      2.495707      3.875209
  H      -0.204448      1.193126      5.076833
  H      -1.768126      3.805157      5.172160
  H      -0.918042      2.996709      6.511896
  H      -5.207443      4.707301      5.983265
  H      -3.577252      5.266797      5.638919
  H      -4.516804      2.892381      7.265235
  H      -3.063515      3.888403      7.499969
  H      -3.912400     -0.692787      7.233744
  H      -4.621032      0.735691      8.023583
  H      -2.017208      0.440167      6.464194
  H      -2.301553      1.404901      7.935060
  C      -9.717327     -1.057399      1.945737
  C      -8.216397     -1.100040      1.820848
  O      -7.645687     -0.607437      0.848437
  C      -7.418392     -1.697659      2.935930
  C      -7.999650     -2.309066      4.057764
  C      -7.198375     -2.797798      5.087765
  C      -5.817624     -2.653562      4.993440
  F      -5.056476     -3.077920      6.030679
  C      -5.198270     -2.038618      3.900078
  C      -3.710156     -1.839896      3.836782
  O      -2.921634     -2.786750      3.886452
  N      -3.360166     -0.510658      3.747951
  C      -2.059560     -0.132457      3.769900
  C      -6.025186     -1.581112      2.878414
  C      -8.797217     11.085736      0.246814
  C      -8.048674      9.771088      0.254488
  O      -8.122938      8.999473     -0.699441
  C      -7.216398      9.434126      1.448119
  C      -7.205643     10.217890      2.615130
  C      -6.434342      9.834398      3.707120
  C      -5.688792      8.658555      3.641546
  F      -4.941931      8.350493      4.722836
  C      -5.671235      7.842199      2.498717
  C      -4.938454      6.534368      2.352756
  O      -4.562372      6.180721      1.222036
  N      -4.822403      5.817243      3.521152
  C      -4.528679      4.533981      3.366348
  C      -6.429455      8.277747      1.409094
  C      -6.780807      4.546155     -1.453686
  C      -6.611684      3.493826     -0.388159
  O      -5.870259      2.524028     -0.560786
  C      -7.318170      3.673317      0.912676
  C      -7.936146      4.879750      1.273496
  C      -8.421745      5.059872      2.565536
  C      -8.289854      4.020964      3.478903
  F      -8.692160      4.232061      4.754644
  C      -7.731843      2.780574      3.144546
  C      -7.629887      1.702041      4.189834
  O      -8.647105      1.170539      4.656050
  N      -6.345603      1.420425      4.570868
  C      -6.119522      0.697806      5.704561
  C      -7.263925      2.624695      1.844926
  H      -9.988474     -0.431758      2.810853
  H     -10.141625     -0.624878      1.033922
  H     -10.137586     -2.060060      2.114349
  H      -9.082761     -2.394140      4.141887
  H      -7.629640     -3.262535      5.974886
  H      -1.193663     -0.802267      3.707390
  H      -5.588112     -1.115598      1.994783
  H      -9.521369     11.124098      1.074940
  H      -8.106059     11.931193      0.383580
  H      -9.328317     11.192221     -0.704852
  H      -7.798640     11.130485      2.679894
  H      -6.397413     10.432507      4.618118
  H      -4.499584      4.109289      2.355625
  H      -6.409689      7.680746      0.497692
  H      -6.259958      4.228821     -2.363200
  H      -6.350103      5.498022     -1.104563
  H      -7.843143      4.731649     -1.670676
  H      -8.005738      5.701470      0.562198
  H      -8.859553      6.004988      2.888418
  H      -6.887276      0.203754      6.309840
  H      -6.853820      1.669836      1.520402
  N      -4.213479      1.552382      2.014835
  H      -3.358572      1.150626      1.612394
  H      -4.422337      2.405436      1.486559
  H      -4.968307      0.905347      1.769086
90
Coordinates from ORCA-job orca E -6670.680340472715
  N      -2.001910      1.160723      4.012916
  Mo     -4.036105      1.570540      4.231028
  N      -4.847782      0.651536      5.883557
  C      -4.122677      0.341042      7.091587
  C      -2.785501      1.086176      6.959854
  N      -2.950999      2.277596      6.075894
  C      -1.625550      2.830719      5.664636
  C      -0.931594      1.898701      4.647601
  C      -3.777113      3.335748      6.711484
  C      -4.263140      4.319709      5.649867
  N      -4.307394      3.659147      4.334087
  H      -0.371885      2.517215      3.928010
  H      -0.215790      1.216164      5.131661
  H      -1.825305      3.800484      5.194681
  H      -0.996675      3.003209      6.553612
  H      -5.269276      4.682514      5.911009
  H      -3.626481      5.217111      5.594375
  H      -4.627104      2.839715      7.193942
  H      -3.198292      3.853193      7.496667
  H      -3.933175     -0.739506      7.199879
  H      -4.694242      0.670146      7.974514
  H      -2.047107      0.433095      6.479321
  H      -2.386633      1.391105      7.942315
  C      -9.674796     -0.973024      2.103176
  C      -8.176887     -1.013083      1.947698
  O      -7.620997     -0.469078      0.994598
  C      -7.363231     -1.678028      3.012838
  C      -7.926331     -2.327603      4.122720
  C      -7.106840     -2.862755      5.114472
  C      -5.726776     -2.730103      4.995968
  F      -4.950200     -3.193733      6.003647
  C      -5.124468     -2.086210      3.909115
  C      -3.639768     -1.879764      3.829024
  O      -2.840138     -2.816821      3.885607
  N      -3.310235     -0.545523      3.737695
  C      -2.017504     -0.142786      3.785779
  C      -5.970392     -1.581592      2.926144
  C      -8.722996     11.108734      0.131108
  C      -8.002443      9.778506      0.142821
  O      -8.072685      9.016845     -0.819282
  C      -7.209255      9.411066      1.354044
  C      -7.212002     10.182592      2.529374
  C      -6.475895      9.772198      3.635472
  C      -5.752130      8.582614      3.575395
  F      -5.039363      8.249087      4.672172
  C      -5.722962      7.776443      2.425318
  C      -5.010811      6.456530      2.282544
  O      -4.619466      6.106795      1.155458
  N      -4.888438      5.747992      3.455628
  C      -4.574527      4.468169      3.311529
  C      -6.446043      8.238700      1.322522
  C      -6.825633      4.804754     -1.356240
  C      -6.660300      3.685881     -0.361375
  O      -5.939821      2.715406     -0.607190
  C      -7.339721      3.797048      0.960635
  C      -7.918780      4.992907      1.410837
  C      -8.380700      5.097775      2.719469
  C      -8.263911      3.997149      3.560222
  F      -8.639301      4.136738      4.853335
  C      -7.739664      2.768738      3.137522
  C      -7.635444      1.624008      4.108731
  O      -8.653219      1.110426      4.594642
  N      -6.351214      1.338351      4.490062
  C      -6.134726      0.612031      5.622852
  C      -7.295214      2.689294      1.822594
  H      -9.925454     -0.399714      3.010008
  H     -10.114921     -0.486002      1.227121
  H     -10.098092     -1.981286      2.223323
  H      -9.008376     -2.400138      4.230974
  H      -7.524441     -3.352347      5.994745
  H      -1.138184     -0.796657      3.745876
  H      -5.547150     -1.080147      2.055202
  H      -9.469419     11.152855      0.939055
  H      -8.018211     11.937212      0.298611
  H      -9.225006     11.238159     -0.833394
  H      -7.787461     11.106719      2.588457
  H      -6.449532     10.360364      4.553282
  H      -4.530879      4.034187      2.305711
  H      -6.414601      7.653673      0.403774
  H      -6.335339      4.531143     -2.296411
  H      -6.361203      5.722275     -0.961344
  H      -7.887974      5.028828     -1.533301
  H      -7.977996      5.861409      0.756421
  H      -8.790174      6.028526      3.113214
  H      -6.906969      0.106752      6.213350
  H      -6.914299      1.747780      1.432503
  N      -4.156325      1.492476      1.979347
  H      -3.283395      1.104612      1.603058
  H      -4.375383      2.327673      1.426919
  H      -4.889100      0.821980      1.730194
90
Coordinates from ORCA-job orca E -6670.679870615305
  N      -2.041510      1.152622      3.947310
  Mo     -4.068038      1.575796      4.208257
  N      -4.849929      0.664977      5.878394
  C      -4.105157      0.353792      7.074332
  C      -2.765390      1.090924      6.915404
  N      -2.937908      2.278464      6.028197
  C      -1.616486      2.819504      5.589300
  C      -0.952133      1.882522      4.557397
  C      -3.744528      3.345904      6.672738
  C      -4.222638      4.338401      5.617477
  N      -4.322500      3.667350      4.309495
  H      -0.402656      2.495996      3.825756
  H      -0.231806      1.193812      5.025985
  H      -1.817401      3.791034      5.123529
  H      -0.968086      2.986478      6.465065
  H      -5.208681      4.738666      5.901073
  H      -3.557196      5.212670      5.538957
  H      -4.598947      2.859570      7.157912
  H      -3.153912      3.853858      7.455036
  H      -3.919096     -0.727386      7.181526
  H      -4.658716      0.687852      7.966859
  H      -2.039044      0.430699      6.426310
  H      -2.347890      1.399416      7.888948
  C      -9.778217     -0.979990      2.214695
  C      -8.282224     -0.996219      2.036958
  O      -7.749421     -0.444921      1.074695
  C      -7.443780     -1.660166      3.082355
  C      -7.981880     -2.311884      4.202832
  C      -7.140693     -2.850162      5.174194
  C      -5.763605     -2.722832      5.021901
  F      -4.964348     -3.192585      6.008864
  C      -5.185185     -2.075382      3.924318
  C      -3.701018     -1.876863      3.806073
  O      -2.905996     -2.819040      3.842938
  N      -3.365338     -0.545192      3.705664
  C      -2.069822     -0.150630      3.722371
  C      -6.052751     -1.562482      2.964477
  C      -8.843999     11.121466      0.224099
  C      -8.114976      9.795728      0.208734
  O      -8.204000      9.040357     -0.756780
  C      -7.296980      9.421627      1.401092
  C      -7.270860     10.190229      2.577868
  C      -6.509046      9.775821      3.665024
  C      -5.788166      8.585469      3.585132
  F      -5.049137      8.250629      4.664081
  C      -5.787311      7.781835      2.432759
  C      -5.079815      6.461594      2.267787
  O      -4.728969      6.108797      1.128187
  N      -4.915275      5.757088      3.438440
  C      -4.620011      4.472426      3.290804
  C      -6.537729      8.247498      1.349656
  C      -6.399428      4.777114     -1.308241
  C      -6.279027      3.691743     -0.271277
  O      -5.465925      2.773100     -0.401603
  C      -7.117878      3.777799      0.958118
  C      -7.808148      4.944582      1.319060
  C      -8.420069      5.039233      2.565996
  C      -8.338224      3.958296      3.436285
  F      -8.865440      4.091847      4.676258
  C      -7.703644      2.756730      3.096329
  C      -7.625493      1.636713      4.096146
  O      -8.651020      1.099113      4.537346
  N      -6.346356      1.351604      4.496314
  C      -6.139311      0.636627      5.635691
  C      -7.111569      2.686012      1.840350
  H     -10.026727     -0.397388      3.116003
  H     -10.240623     -0.512314      1.339421
  H     -10.180179     -1.994117      2.355717
  H      -9.061066     -2.383276      4.335847
  H      -7.537579     -3.341607      6.062526
  H      -1.196303     -0.810978      3.665204
  H      -5.650010     -1.059253      2.085209
  H      -9.572546     11.154001      1.048776
  H      -8.141189     11.953278      0.382358
  H      -9.367970     11.255303     -0.728070
  H      -7.842490     11.115518      2.653051
  H      -6.459315     10.361735      4.583309
  H      -4.623848      4.029838      2.287892
  H      -6.530727      7.663474      0.429810
  H      -5.794508      4.514522     -2.182489
  H      -6.030755      5.726262     -0.888229
  H      -7.446980      4.934844     -1.603736
  H      -7.839903      5.801147      0.646701
  H      -8.922660      5.949611      2.892176
  H      -6.912269      0.138071      6.231361
  H      -6.637193      1.762022      1.516125
  N      -4.226001      1.494073      1.956844
  H      -3.359165      1.102379      1.569420
  H      -4.451871      2.326540      1.402215
  H      -4.963236      0.823745      1.719185
90
Coordinates from ORCA-job orca E -6670.680418351749
  N      -2.014621      1.129910      4.005196
  Mo     -4.028617      1.606129      4.271237
  N      -4.821490      0.733355      5.955627
  C      -4.075551      0.407441      7.147196
  C      -2.719707      1.110465      6.974545
  N      -2.870549      2.294069      6.079029
  C      -1.539819      2.800210      5.630547
  C      -0.905388      1.841252      4.600937
  C      -3.649852      3.385152      6.715675
  C      -4.089442      4.389283      5.654109
  N      -4.227369      3.704437      4.355000
  H      -0.346583      2.435655      3.860986
  H      -0.198416      1.139723      5.071329
  H      -1.719631      3.773683      5.160060
  H      -0.883421      2.955546      6.502295
  H      -5.052942      4.841136      5.939173
  H      -3.384577      5.229823      5.560024
  H      -4.520622      2.924500      7.196933
  H      -3.049786      3.878320      7.500221
  H      -3.920430     -0.677510      7.261667
  H      -4.611487      0.764644      8.041712
  H      -2.011832      0.430540      6.485304
  H      -2.289268      1.416012      7.943440
  C      -9.699943     -1.215115      1.798461
  C      -8.194623     -1.182016      1.745364
  O      -7.602265     -0.674642      0.793210
  C      -7.423565     -1.750803      2.892053
  C      -8.032466     -2.359825      3.999125
  C      -7.258664     -2.829450      5.057330
  C      -5.876353     -2.677718      5.002876
  F      -5.143884     -3.094223      6.063401
  C      -5.229133     -2.059714      3.927463
  C      -3.737800     -1.865343      3.897111
  O      -2.952397     -2.813378      3.975809
  N      -3.378313     -0.540385      3.784250
  C      -2.074504     -0.174945      3.799246
  C      -6.030573     -1.609835      2.881017
  C      -8.851213     11.020282      0.216508
  C      -8.087970      9.713947      0.218139
  O      -8.163201      8.940160     -0.734051
  C      -7.253677      9.379832      1.410910
  C      -7.242668     10.165758      2.575819
  C      -6.463213      9.789529      3.664805
  C      -5.707706      8.619847      3.597305
  F      -4.952675      8.323359      4.676250
  C      -5.688723      7.801467      2.455048
  C      -4.939010      6.502902      2.302758
  O      -4.601352      6.136130      1.164393
  N      -4.778588      5.800718      3.474221
  C      -4.515779      4.508296      3.333241
  C      -6.460743      8.227678      1.370981
  C      -6.814060      4.672915     -1.386474
  C      -6.573694      3.661851     -0.296934
  O      -5.786857      2.726236     -0.460631
  C      -7.271378      3.833006      1.011561
  C      -7.913613      5.027120      1.371811
  C      -8.420495      5.191687      2.658467
  C      -8.291936      4.149193      3.567793
  F      -8.749150      4.337169      4.828828
  C      -7.694727      2.926001      3.239277
  C      -7.604063      1.837127      4.272660
  O      -8.628400      1.329429      4.750666
  N      -6.322131      1.489077      4.610063
  C      -6.114086      0.754295      5.735628
  C      -7.195802      2.789378      1.947365
  H     -10.040581     -0.580649      2.632435
  H     -10.103193     -0.827728      0.856613
  H     -10.077635     -2.232339      1.977100
  H      -9.115942     -2.459325      4.049567
  H      -7.712124     -3.293973      5.932165
  H      -1.216911     -0.856585      3.749352
  H      -5.570378     -1.151365      2.006109
  H      -9.578309     11.045389      1.042814
  H      -8.170278     11.872522      0.360252
  H      -9.381264     11.126356     -0.735828
  H      -7.841046     11.074758      2.640282
  H      -6.425540     10.389374      4.574586
  H      -4.545963      4.055752      2.334989
  H      -6.444263      7.628414      0.460857
  H      -6.321519      4.340116     -2.306243
  H      -6.388740      5.641700     -1.081976
  H      -7.888003      4.827489     -1.565225
  H      -7.997713      5.847636      0.659403
  H      -8.891214      6.121057      2.976097
  H      -6.893581      0.294179      6.353352
  H      -6.768011      1.840689      1.629680
  N      -4.202642      1.495129      2.023309
  H      -3.346469      1.077453      1.637670
  H      -4.421020      2.315853      1.446596
  H      -4.951714      0.830408      1.808547
90
Coordinates from ORCA-job orca E -6670.681764789097
  N      -1.999979      1.139997      4.008730
  Mo     -4.023991      1.593722      4.238062
  N      -4.843190      0.695004      5.896909
  C      -4.118418      0.374999      7.103014
  C      -2.767814      1.095313      6.965604
  N      -2.908631      2.282712      6.073086
  C      -1.570890      2.800684      5.657007
  C      -0.908006      1.854113      4.633338
  C      -3.712426      3.363596      6.696148
  C      -4.121071      4.370885      5.628094
  N      -4.246411      3.688391      4.328160
  H      -0.341230      2.460021      3.908663
  H      -0.203502      1.154857      5.110187
  H      -1.744133      3.776823      5.190754
  H      -0.933563      2.952783      6.543570
  H      -5.081133      4.836893      5.898191
  H      -3.402088      5.202016      5.544761
  H      -4.598130      2.894165      7.140222
  H      -3.144174      3.853218      7.506911
  H      -3.947019     -0.708368      7.213205
  H      -4.681057      0.715714      7.987269
  H      -2.041323      0.425093      6.490528
  H      -2.363149      1.400421      7.945643
  C      -9.714123     -1.109474      1.994337
  C      -8.210831     -1.079411      1.897110
  O      -7.645057     -0.514498      0.961999
  C      -7.407670     -1.702045      2.994983
  C      -7.980354     -2.345269      4.103577
  C      -7.169887     -2.856027      5.115238
  C      -5.789486     -2.710903      5.016102
  F      -5.023711     -3.163352      6.036419
  C      -5.177294     -2.069228      3.933182
  C      -3.690305     -1.872235      3.857281
  O      -2.898900     -2.815046      3.934611
  N      -3.342875     -0.543060      3.752928
  C      -2.042990     -0.163859      3.790172
  C      -6.014898     -1.582466      2.933708
  C      -8.802757     11.081198      0.213580
  C      -8.063488      9.761043      0.210114
  O      -8.138275      9.001222     -0.753152
  C      -7.238557      9.405782      1.403518
  C      -7.222085     10.181142      2.576002
  C      -6.454461      9.782547      3.664834
  C      -5.716509      8.602266      3.590423
  F      -4.974079      8.284214      4.671994
  C      -5.703733      7.793135      2.441448
  C      -4.978322      6.481778      2.280660
  O      -4.640734      6.121580      1.139762
  N      -4.810857      5.778337      3.449734
  C      -4.539063      4.488761      3.304860
  C      -6.462152      8.242844      1.357216
  C      -6.779250      4.732847     -1.392308
  C      -6.542980      3.702684     -0.320732
  O      -5.714767      2.801092     -0.475919
  C      -7.287190      3.819501      0.965097
  C      -7.957026      4.992859      1.342606
  C      -8.488647      5.113856      2.623183
  C      -8.360216      4.048286      3.506923
  F      -8.823686      4.206030      4.768285
  C      -7.741596      2.840843      3.156469
  C      -7.633865      1.726579      4.160202
  O      -8.648866      1.240139      4.678818
  N      -6.345955      1.408917      4.511158
  C      -6.133768      0.692886      5.650554
  C      -7.218439      2.749486      1.870919
  H     -10.027759     -0.517340      2.869047
  H     -10.143490     -0.673764      1.086385
  H     -10.092727     -2.132190      2.136102
  H      -9.062630     -2.436306      4.192908
  H      -7.594558     -3.346363      5.991757
  H      -1.178259     -0.837157      3.752763
  H      -5.583566     -1.094991      2.059299
  H      -9.538299     11.111403      1.032094
  H      -8.108009     11.919423      0.374126
  H      -9.320394     11.206615     -0.743179
  H      -7.807506     11.098135      2.646231
  H      -6.413403     10.373023      4.580613
  H      -4.563997      4.034994      2.307136
  H      -6.450203      7.653556      0.440875
  H      -6.252121      4.436578     -2.305309
  H      -6.389337      5.705542     -1.053026
  H      -7.852190      4.862048     -1.596184
  H      -8.031870      5.834696      0.655101
  H      -8.972143      6.030842      2.961790
  H      -6.912581      0.212631      6.253457
  H      -6.763604      1.818831      1.540802
  N      -4.144254      1.493782      1.984930
  H      -3.271326      1.093126      1.621460
  H      -4.367533      2.305687      1.397006
  H      -4.874054      0.812252      1.755738
90
Coordinates from ORCA-job orca E -6670.682080885331
  N      -1.996508      1.130441      3.990281
  Mo     -4.025142      1.572546      4.205203
  N      -4.855344      0.658095      5.849167
  C      -4.140996      0.334601      7.060520
  C      -2.792959      1.064641      6.943358
  N      -2.927966      2.255338      6.054570
  C      -1.586682      2.778747      5.655468
  C      -0.912113      1.843408      4.628785
  C      -3.744157      3.331413      6.671246
  C      -4.130447      4.346156      5.604201
  N      -4.261211      3.665214      4.303980
  H      -0.341907      2.457354      3.913585
  H      -0.208724      1.142425      5.104834
  H      -1.755976      3.758820      5.196713
  H      -0.958036      2.923547      6.549412
  H      -5.082753      4.829413      5.871054
  H      -3.396093      5.164548      5.524926
  H      -4.639913      2.857462      7.090074
  H      -3.194327      3.814439      7.498551
  H      -3.962695     -0.748374      7.163864
  H      -4.715583      0.664036      7.941257
  H      -2.056378      0.400446      6.475077
  H      -2.402549      1.367944      7.929653
  C      -9.738108     -0.962156      2.198338
  C      -8.237921     -0.933776      2.058979
  O      -7.695663     -0.316882      1.142953
  C      -7.408940     -1.631942      3.089829
  C      -7.954979     -2.315764      4.187544
  C      -7.119926     -2.883428      5.147670
  C      -5.741617     -2.756982      5.006674
  F      -4.950538     -3.258872      5.983370
  C      -5.155082     -2.081562      3.929927
  C      -3.670265     -1.887902      3.821530
  O      -2.878463     -2.832442      3.870904
  N      -3.328396     -0.557776      3.718301
  C      -2.030951     -0.172083      3.762955
  C      -6.017094     -1.537609      2.982338
  C      -8.810069     11.073054      0.184589
  C      -8.053830      9.762513      0.172823
  O      -8.102448      9.017592     -0.803701
  C      -7.259214      9.390719      1.381531
  C      -7.277906     10.146233      2.567042
  C      -6.535618      9.733522      3.667982
  C      -5.789062      8.558600      3.592964
  F      -5.073146      8.226795      4.688227
  C      -5.742639      7.768307      2.431987
  C      -5.006920      6.463037      2.267531
  O      -4.641367      6.121644      1.129574
  N      -4.838306      5.754861      3.433160
  C      -4.562120      4.466624      3.283123
  C      -6.475507      8.232698      1.336308
  C      -6.657259      4.797159     -1.369044
  C      -6.414696      3.779857     -0.286953
  O      -5.543362      2.914220     -0.410160
  C      -7.220641      3.854827      0.963502
  C      -7.941505      5.002672      1.324422
  C      -8.534075      5.089839      2.580551
  C      -8.414832      4.016393      3.456601
  F      -8.938827      4.145945      4.696612
  C      -7.743484      2.832735      3.120371
  C      -7.639204      1.708656      4.112525
  O      -8.655039      1.177193      4.582590
  N      -6.350790      1.388875      4.465392
  C      -6.143630      0.649134      5.589857
  C      -7.161733      2.775202      1.858085
  H     -10.024514     -0.418531      3.112760
  H     -10.191312     -0.474112      1.329563
  H     -10.117604     -1.989896      2.294409
  H      -9.035143     -2.387553      4.313589
  H      -7.522604     -3.399806      6.019673
  H      -1.162910     -0.841274      3.730054
  H      -5.608052     -1.012595      2.119163
  H      -9.564268     11.077777      0.986523
  H      -8.130448     11.916926      0.376766
  H      -9.307468     11.210250     -0.781260
  H      -7.870192     11.058765      2.637857
  H      -6.521092     10.308583      4.594337
  H      -4.592780      4.013358      2.285863
  H      -6.435203      7.660091      0.410214
  H      -6.089733      4.520678     -2.263885
  H      -6.314006      5.783561     -1.018852
  H      -7.727196      4.885413     -1.606680
  H      -8.009641      5.851968      0.645473
  H      -9.059608      5.987689      2.907230
  H      -6.925287      0.157768      6.180258
  H      -6.668223      1.861120      1.538334
  N      -4.117111      1.480058      1.948815
  H      -3.228966      1.101728      1.598171
  H      -4.356457      2.282186      1.352227
  H      -4.823394      0.776535      1.712686
90
Coordinates from ORCA-job orca E -6670.682468794475
  N      -2.009853      1.123603      3.971385
  Mo     -4.032525      1.582819      4.209055
  N      -4.847729      0.686215      5.869756
  C      -4.121654      0.363658      7.074455
  C      -2.769430      1.082338      6.937083
  N      -2.904643      2.266714      6.040761
  C      -1.563608      2.775276      5.623906
  C      -0.911548      1.831344      4.591164
  C      -3.705833      3.354415      6.656398
  C      -4.079474      4.370804      5.587398
  N      -4.251069      3.678292      4.297305
  H      -0.345949      2.437540      3.865917
  H      -0.207666      1.126208      5.060561
  H      -1.728001      3.756010      5.164933
  H      -0.923009      2.915273      6.509971
  H      -5.011453      4.887162      5.864787
  H      -3.321927      5.165153      5.487308
  H      -4.607326      2.891804      7.076019
  H      -3.149470      3.832493      7.482108
  H      -3.952020     -0.720072      7.182983
  H      -4.682330      0.704386      7.959940
  H      -2.042528      0.409125      6.466402
  H      -2.366716      1.390436      7.916950
  C      -9.759422     -1.074311      2.113141
  C      -8.257773     -1.013934      2.002985
  O      -7.711202     -0.412984      1.078684
  C      -7.434515     -1.675923      3.060561
  C      -7.989094     -2.344379      4.162664
  C      -7.162758     -2.885645      5.144886
  C      -5.783817     -2.747927      5.020669
  F      -5.001299     -3.229726      6.014520
  C      -5.188692     -2.080962      3.943491
  C      -3.702240     -1.885667      3.846701
  O      -2.911257     -2.831134      3.897250
  N      -3.356071     -0.557666      3.728796
  C      -2.056088     -0.180182      3.755251
  C      -6.042276     -1.562271      2.973736
  C      -8.827051     11.093181      0.208604
  C      -8.069360      9.783595      0.188329
  O      -8.117692      9.044533     -0.792803
  C      -7.275741      9.403900      1.394978
  C      -7.295527     10.151561      2.585256
  C      -6.552950      9.732487      3.683752
  C      -5.804990      8.558798      3.601213
  F      -5.088795      8.220973      4.694434
  C      -5.757599      7.776287      2.435017
  C      -5.018479      6.473660      2.262104
  O      -4.653540      6.138394      1.122422
  N      -4.833703      5.766442      3.425703
  C      -4.571719      4.474718      3.278008
  C      -6.490914      8.246935      1.342379
  C      -6.592758      4.758342     -1.350504
  C      -6.340339      3.783446     -0.232622
  O      -5.437237      2.945213     -0.311381
  C      -7.172914      3.868516      0.999895
  C      -7.920649      5.009788      1.326132
  C      -8.547088      5.105163      2.565805
  C      -8.436057      4.045930      3.460101
  F      -9.004015      4.180515      4.680297
  C      -7.734063      2.870727      3.158748
  C      -7.635026      1.759127      4.163004
  O      -8.652047      1.255206      4.660274
  N      -6.346355      1.425381      4.502650
  C      -6.138663      0.695770      5.631021
  C      -7.116803      2.806083      1.913727
  H     -10.076615     -0.503389      3.000353
  H     -10.206315     -0.628873      1.218239
  H     -10.116277     -2.106712      2.239396
  H      -9.069860     -2.428303      4.272926
  H      -7.572088     -3.393711      6.018155
  H      -1.193761     -0.856576      3.718331
  H      -5.626730     -1.052971      2.104890
  H      -9.581731     11.091262      1.010142
  H      -8.148740     11.936618      0.406662
  H      -9.323968     11.236339     -0.756653
  H      -7.888695     11.063057      2.661737
  H      -6.538901     10.301266      4.613973
  H      -4.634980      4.012677      2.286438
  H      -6.448896      7.680344      0.412640
  H      -6.008879      4.465058     -2.229360
  H      -6.271392      5.761376     -1.028502
  H      -7.661010      4.818122     -1.602624
  H      -7.987333      5.847161      0.631898
  H      -9.097576      5.997607      2.863183
  H      -6.919796      0.221750      6.236438
  H      -6.602134      1.894523      1.622441
  N      -4.146051      1.471644      1.953440
  H      -3.253214      1.105827      1.600262
  H      -4.410172      2.257504      1.343542
  H      -4.837394      0.748523      1.733502
90
Coordinates from ORCA-job orca E -6670.682543013771
  N      -1.997265      1.114110      3.980245
  Mo     -4.014930      1.603254      4.204655
  N      -4.857852      0.704434      5.850225
  C      -4.149295      0.366784      7.061538
  C      -2.785188      1.065530      6.942819
  N      -2.891787      2.255814      6.051230
  C      -1.537945      2.743897      5.651951
  C      -0.893350      1.799488      4.614912
  C      -3.682426      3.352611      6.664065
  C      -4.015717      4.385420      5.598676
  N      -4.201284      3.701141      4.306039
  H      -0.312713      2.403469      3.899876
  H      -0.204333      1.078982      5.083166
  H      -1.679315      3.732327      5.202121
  H      -0.903498      2.862406      6.545482
  H      -4.931332      4.932319      5.872143
  H      -3.231655      5.154588      5.506249
  H      -4.600527      2.902417      7.060599
  H      -3.133556      3.811571      7.505646
  H      -3.997299     -0.719733      7.167911
  H      -4.714273      0.712759      7.942313
  H      -2.062865      0.383901      6.477199
  H      -2.389429      1.362737      7.928904
  C      -9.800433     -1.076035      2.163016
  C      -8.300311     -1.017013      2.034114
  O      -7.765101     -0.405454      1.109943
  C      -7.464004     -1.671922      3.085255
  C      -8.005516     -2.342472      4.192540
  C      -7.167936     -2.881354      5.166595
  C      -5.790866     -2.736385      5.029315
  F      -4.996296     -3.219427      6.013163
  C      -5.208782     -2.064003      3.948328
  C      -3.722514     -1.872784      3.834572
  O      -2.935323     -2.820860      3.897322
  N      -3.365795     -0.547157      3.715718
  C      -2.061109     -0.186992      3.754915
  C      -6.073376     -1.548842      2.986605
  C      -8.890642     11.005138      0.233766
  C      -8.100623      9.714714      0.221218
  O      -8.131647      8.968039     -0.754864
  C      -7.283249      9.370754      1.422641
  C      -7.316073     10.126952      2.607032
  C      -6.551258      9.740349      3.702252
  C      -5.766769      8.590497      3.622201
  F      -5.029567      8.286487      4.711229
  C      -5.703641      7.801547      2.460755
  C      -4.923115      6.523010      2.288859
  O      -4.587803      6.176409      1.143495
  N      -4.750753      5.803165      3.446195
  C      -4.510291      4.508452      3.291172
  C      -6.461866      8.239354      1.371512
  C      -6.594466      4.782631     -1.399760
  C      -6.325736      3.817857     -0.277096
  O      -5.400868      3.002980     -0.348625
  C      -7.166443      3.887854      0.950881
  C      -7.941704      5.013410      1.268053
  C      -8.587684      5.094460      2.498720
  C      -8.468740      4.035962      3.393147
  F      -9.062845      4.154417      4.602645
  C      -7.734481      2.877645      3.102576
  C      -7.631737      1.765577      4.105770
  O      -8.648409      1.251652      4.593854
  N      -6.343551      1.451420      4.467030
  C      -6.146853      0.724337      5.598890
  C      -7.096494      2.827794      1.866862
  H     -10.105243     -0.507847      3.056356
  H     -10.258144     -0.626849      1.275374
  H     -10.156490     -2.108688      2.288927
  H      -9.084665     -2.433460      4.311470
  H      -7.566246     -3.395367      6.041682
  H      -1.209159     -0.876800      3.724116
  H      -5.668284     -1.041002      2.112418
  H      -9.641470     10.990554      1.038765
  H      -8.233259     11.867283      0.421604
  H      -9.395461     11.127429     -0.730267
  H      -7.937776     11.019380      2.681833
  H      -6.547311     10.316475      4.628025
  H      -4.585111      4.051041      2.298240
  H      -6.410423      7.665784      0.446338
  H      -6.002756      4.496622     -2.275790
  H      -6.291773      5.792742     -1.081935
  H      -7.662806      4.822292     -1.654870
  H      -8.016404      5.849830      0.573134
  H      -9.161393      5.975198      2.788026
  H      -6.934958      0.248328      6.193536
  H      -6.555820      1.928550      1.584539
  N      -4.116612      1.506775      1.947523
  H      -3.214023      1.162550      1.597527
  H      -4.401200      2.285544      1.334297
  H      -4.787553      0.764328      1.727223
90
Coordinates from ORCA-job orca E -6670.682873640207
  N      -1.989383      1.109118      3.986513
  Mo     -4.010734      1.593472      4.193001
  N      -4.864385      0.702567      5.837255
  C      -4.162782      0.370073      7.053976
  C      -2.799838      1.071994      6.943938
  N      -2.901152      2.257904      6.046320
  C      -1.544248      2.745114      5.655917
  C      -0.891163      1.798548      4.626526
  C      -3.698082      3.357183      6.647785
  C      -4.031324      4.381628      5.575184
  N      -4.206312      3.691372      4.284705
  H      -0.306700      2.401261      3.913484
  H      -0.204117      1.080693      5.101613
  H      -1.681077      3.732496      5.202820
  H      -0.916590      2.865635      6.554035
  H      -4.951008      4.925224      5.840849
  H      -3.250425      5.154343      5.483647
  H      -4.616923      2.906152      7.041596
  H      -3.154745      3.822884      7.489330
  H      -4.008269     -0.715878      7.163424
  H      -4.734952      0.715881      7.930130
  H      -2.071548      0.389832      6.488391
  H      -2.413705      1.374781      7.932143
  C      -9.782758     -1.064535      2.191577
  C      -8.282914     -1.012931      2.056021
  O      -7.748435     -0.395009      1.135660
  C      -7.445241     -1.682062      3.097508
  C      -7.984664     -2.365002      4.198414
  C      -7.145081     -2.913389      5.165754
  C      -5.768402     -2.764563      5.028727
  F      -4.972062     -3.257018      6.006403
  C      -5.188510     -2.081525      3.953260
  C      -3.703289     -1.885101      3.839748
  O      -2.912931     -2.830540      3.901740
  N      -3.350801     -0.558058      3.722243
  C      -2.047696     -0.193430      3.767418
  C      -6.054874     -1.557898      2.997776
  C      -8.863174     11.051250      0.241679
  C      -8.090300      9.750635      0.218848
  O      -8.137703      9.008410     -0.760046
  C      -7.272171      9.389773      1.414677
  C      -7.290042     10.139907      2.603454
  C      -6.527431      9.736076      3.693851
  C      -5.760258      8.575303      3.604601
  F      -5.025626      8.252403      4.689960
  C      -5.712184      7.792281      2.438722
  C      -4.954611      6.500923      2.259454
  O      -4.593913      6.170555      1.117097
  N      -4.770849      5.785570      3.417270
  C      -4.518301      4.493062      3.266502
  C      -6.466557      8.247501      1.354127
  C      -6.604649      4.795981     -1.383390
  C      -6.330684      3.841996     -0.253209
  O      -5.389238      3.044650     -0.311335
  C      -7.187262      3.898539      0.963174
  C      -7.982927      5.012209      1.271516
  C      -8.645885      5.081313      2.493753
  C      -8.523459      4.023293      3.388708
  F      -9.130836      4.134971      4.591469
  C      -7.766959      2.876724      3.106977
  C      -7.651497      1.765797      4.109446
  O      -8.661755      1.252957      4.612217
  N      -6.358351      1.448690      4.453881
  C      -6.153592      0.719863      5.583360
  C      -7.113582      2.838859      1.879113
  H     -10.079832     -0.500812      3.090566
  H     -10.241899     -0.605917      1.309612
  H     -10.144743     -2.095743      2.312050
  H      -9.063673     -2.457527      4.318261
  H      -7.541247     -3.437778      6.035923
  H      -1.194248     -0.881750      3.747358
  H      -5.652001     -1.038028      2.129525
  H      -9.607453     11.044099      1.052788
  H      -8.192919     11.904096      0.426684
  H      -9.374017     11.183214     -0.717889
  H      -7.898796     11.040586      2.685661
  H      -6.512483     10.306455      4.623079
  H      -4.588979      4.031037      2.275805
  H      -6.425941      7.678345      0.425816
  H      -6.004756      4.511594     -2.254363
  H      -6.313797      5.811365     -1.070942
  H      -7.671978      4.822861     -1.643869
  H      -8.059847      5.849371      0.577779
  H      -9.234391      5.954585      2.776945
  H      -6.939945      0.246435      6.182345
  H      -6.555791      1.948303      1.605671
  N      -4.084937      1.486222      1.935490
  H      -3.167247      1.168476      1.600692
  H      -4.386648      2.252105      1.311477
  H      -4.728358      0.720783      1.710696
90
Coordinates from ORCA-job orca E -6670.682569654285
  N      -1.986970      1.098526      3.975603
  Mo     -4.004417      1.599502      4.186610
  N      -4.864050      0.716697      5.831018
  C      -4.165149      0.373791      7.046512
  C      -2.794341      1.060884      6.938741
  N      -2.883055      2.248549      6.043884
  C      -1.521603      2.722069      5.652237
  C      -0.880794      1.775361      4.614986
  C      -3.667154      3.355412      6.651792
  C      -4.012567      4.381434      5.585584
  N      -4.187737      3.699327      4.290857
  H      -0.292346      2.375901      3.903374
  H      -0.199414      1.048295      5.084367
  H      -1.647830      3.714063      5.206188
  H      -0.890361      2.829693      6.549568
  H      -4.935985      4.915750      5.857511
  H      -3.237748      5.160472      5.496686
  H      -4.582695      2.909119      7.058303
  H      -3.108570      3.818456      7.484497
  H      -4.022732     -0.714249      7.152161
  H      -4.732936      0.722894      7.924147
  H      -2.072097      0.371323      6.484172
  H      -2.406797      1.358960      7.927768
  C      -9.808280     -0.924413      2.242634
  C      -8.308632     -0.887096      2.095556
  O      -7.774282     -0.267037      1.176389
  C      -7.471669     -1.597047      3.110075
  C      -8.013829     -2.297586      4.198040
  C      -7.177273     -2.880124      5.147691
  C      -5.799748     -2.751897      5.002166
  F      -5.003789     -3.277434      5.963128
  C      -5.216409     -2.056870      3.936787
  C      -3.729206     -1.879431      3.818181
  O      -2.951783     -2.837176      3.849418
  N      -3.362787     -0.555975      3.714528
  C      -2.056797     -0.203549      3.756139
  C      -6.079809     -1.492578      3.001125
  C      -8.967618     10.986767      0.306880
  C      -8.148216      9.715351      0.268501
  O      -8.170184      8.983118     -0.719026
  C      -7.329738      9.362046      1.465980
  C      -7.382244     10.092451      2.666177
  C      -6.618305      9.695026      3.757951
  C      -5.816162      8.558922      3.658605
  F      -5.085287      8.236989      4.746883
  C      -5.732307      7.797127      2.481472
  C      -4.938092      6.529094      2.294143
  O      -4.518430      6.243043      1.160773
  N      -4.758315      5.800719      3.443589
  C      -4.498423      4.511176      3.280942
  C      -6.488176      8.246430      1.395546
  C      -6.510852      4.628768     -1.468809
  C      -6.260859      3.714389     -0.300949
  O      -5.353057      2.877128     -0.336718
  C      -7.114691      3.838863      0.911330
  C      -7.880488      4.983367      1.179701
  C      -8.555023      5.105156      2.391820
  C      -8.470648      4.072453      3.320072
  F      -9.088416      4.237854      4.510438
  C      -7.736863      2.901034      3.082505
  C      -7.642947      1.818333      4.116198
  O      -8.659508      1.355949      4.653910
  N      -6.353035      1.473038      4.449476
  C      -6.153785      0.752460      5.583702
  C      -7.076562      2.808740      1.861390
  H     -10.092275     -0.377574      3.156021
  H     -10.268956     -0.440836      1.374945
  H     -10.180793     -1.954203      2.341983
  H      -9.093389     -2.372584      4.325447
  H      -7.574711     -3.414023      6.011136
  H      -1.209965     -0.899876      3.734751
  H      -5.676475     -0.952826      2.145065
  H      -9.710006     10.943038      1.118533
  H      -8.328640     11.861347      0.500657
  H      -9.483724     11.111061     -0.650916
  H      -8.019190     10.972608      2.756609
  H      -6.629996     10.250264      4.696369
  H      -4.569315      4.057673      2.287416
  H      -6.419531      7.693212      0.459342
  H      -5.934433      4.282143     -2.333077
  H      -6.170260      5.642471     -1.204544
  H      -7.578975      4.692362     -1.718102
  H      -7.929505      5.801273      0.460831
  H      -9.123427      6.001549      2.639475
  H      -6.944251      0.297229      6.191704
  H      -6.540692      1.895303      1.624247
  N      -4.073874      1.501386      1.928522
  H      -3.147834      1.202973      1.599173
  H      -4.387457      2.265978      1.305262
  H      -4.699297      0.723331      1.696115
90
Coordinates from ORCA-job orca E -6670.683055296348
  N      -1.981596      1.079805      3.980863
  Mo     -3.996419      1.592343      4.188585
  N      -4.859311      0.721007      5.836840
  C      -4.161835      0.379492      7.053589
  C      -2.788547      1.061284      6.942698
  N      -2.872004      2.245170      6.041300
  C      -1.508305      2.710427      5.648853
  C      -0.872127      1.755254      4.616431
  C      -3.651811      3.358487      6.640876
  C      -3.974067      4.383930      5.566888
  N      -4.167751      3.692739      4.279217
  H      -0.281774      2.349587      3.901218
  H      -0.193558      1.027860      5.089270
  H      -1.628646      3.701436      5.198578
  H      -0.877203      2.818329      6.546232
  H      -4.883547      4.943288      5.835255
  H      -3.181279      5.143866      5.469531
  H      -4.575853      2.921214      7.038022
  H      -3.098556      3.818186      7.479059
  H      -4.024141     -0.708673      7.164151
  H      -4.727958      0.735161      7.929675
  H      -2.068490      0.367007      6.491917
  H      -2.400254      1.362578      7.930517
  C      -9.803354     -0.953078      2.205134
  C      -8.302130     -0.898465      2.082007
  O      -7.760524     -0.268094      1.174380
  C      -7.472722     -1.609202      3.102565
  C      -8.022635     -2.320835      4.179629
  C      -7.192737     -2.907844      5.132678
  C      -5.814281     -2.774225      5.000829
  F      -5.026015     -3.305218      5.964939
  C      -5.223409     -2.068556      3.946198
  C      -3.735418     -1.892432      3.840605
  O      -2.959797     -2.851593      3.876227
  N      -3.365807     -0.570225      3.727184
  C      -2.058099     -0.223263      3.770486
  C      -6.080486     -1.498895      3.008082
  C      -8.973481     10.934583      0.254579
  C      -8.158246      9.660187      0.228874
  O      -8.191988      8.912138     -0.746377
  C      -7.325668      9.325512      1.421982
  C      -7.365117     10.073255      2.611853
  C      -6.587910      9.692803      3.700418
  C      -5.786081      8.555818      3.608774
  F      -5.041657      8.251351      4.692870
  C      -5.716236      7.776247      2.442246
  C      -4.922281      6.507049      2.262673
  O      -4.545803      6.189237      1.122459
  N      -4.733618      5.789524      3.417438
  C      -4.486208      4.496855      3.264585
  C      -6.484217      8.209510      1.358374
  C      -6.503011      4.797273     -1.368776
  C      -6.252458      3.852997     -0.225233
  O      -5.309790      3.054835     -0.260078
  C      -7.133038      3.918500      0.972200
  C      -7.949766      5.026213      1.245832
  C      -8.648425      5.099997      2.447824
  C      -8.538122      4.055021      3.359831
  F      -9.180909      4.176092      4.542273
  C      -7.757099      2.915805      3.113757
  C      -7.643474      1.817342      4.128763
  O      -8.653221      1.321262      4.649489
  N      -6.349335      1.485941      4.460454
  C      -6.148837      0.759580      5.590411
  C      -7.071685      2.872162      1.903492
  H     -10.106774     -0.416279      3.118075
  H     -10.255657     -0.467965      1.333901
  H     -10.166506     -1.987440      2.290805
  H      -9.103056     -2.403376      4.294561
  H      -7.596392     -3.451779      5.987082
  H      -1.215118     -0.924445      3.756131
  H      -5.671317     -0.950338      2.160447
  H      -9.709252     10.905839      1.072967
  H      -8.330187     11.809952      0.429625
  H      -9.497509     11.045760     -0.700516
  H      -8.001793     10.954197      2.696466
  H      -6.588928     10.262178      4.630384
  H      -4.573124      4.033008      2.275925
  H      -6.423983      7.644258      0.428777
  H      -5.897174      4.495722     -2.229846
  H      -6.198713      5.811596     -1.064449
  H      -7.566696      4.838384     -1.640833
  H      -8.018374      5.854425      0.540583
  H      -9.255677      5.969162      2.701556
  H      -6.939263      0.304429      6.198677
  H      -6.495685      1.984738      1.660804
  N      -4.069284      1.479038      1.931282
  H      -3.137729      1.198597      1.602154
  H      -4.403354      2.226401      1.299443
  H      -4.675176      0.682082      1.712379
90
Coordinates from ORCA-job orca E -6670.682873581595
  N      -1.972324      1.083198      3.985763
  Mo     -3.988153      1.597601      4.176071
  N      -4.869807      0.716701      5.808360
  C      -4.186372      0.363188      7.029712
  C      -2.810670      1.043893      6.939330
  N      -2.882712      2.234706      6.046059
  C      -1.515253      2.701696      5.670629
  C      -0.869294      1.753992      4.637181
  C      -3.665131      3.344533      6.648208
  C      -3.983765      4.377395      5.579233
  N      -4.158391      3.697119      4.282708
  H      -0.271789      2.353295      3.932254
  H      -0.195711      1.022979      5.111673
  H      -1.631395      3.696470      5.227075
  H      -0.893025      2.802485      6.574987
  H      -4.901971      4.925299      5.842351
  H      -3.197349      5.145417      5.498030
  H      -4.589602      2.905216      7.041822
  H      -3.113193      3.798985      7.489943
  H      -4.052541     -0.726139      7.132417
  H      -4.760947      0.712929      7.902732
  H      -2.086288      0.352253      6.491520
  H      -2.433178      1.337113      7.933789
  C      -9.831528     -1.017024      2.269338
  C      -8.335823     -1.014813      2.081809
  O      -7.816094     -0.450116      1.119886
  C      -7.482553     -1.655322      3.128269
  C      -8.009523     -2.302318      4.255777
  C      -7.160558     -2.835895      5.222372
  C      -5.785357     -2.707884      5.055938
  F      -4.976558     -3.183267      6.032308
  C      -5.216446     -2.057356      3.955050
  C      -3.729667     -1.884946      3.815319
  O      -2.953849     -2.842507      3.878230
  N      -3.357031     -0.563187      3.710344
  C      -2.049044     -0.218479      3.767319
  C      -6.092535     -1.544288      3.001443
  C      -8.956938     10.963148      0.293946
  C      -8.149712      9.683797      0.266957
  O      -8.183284      8.939899     -0.711586
  C      -7.313834      9.345586      1.456548
  C      -7.352314     10.087406      2.649991
  C      -6.573824      9.702198      3.736156
  C      -5.771364      8.566222      3.637748
  F      -5.025264      8.255373      4.718870
  C      -5.701367      7.793719      2.466774
  C      -4.906174      6.526127      2.281651
  O      -4.508495      6.224702      1.144550
  N      -4.723957      5.800059      3.432401
  C      -4.467488      4.509921      3.272041
  C      -6.470537      8.231360      1.385666
  C      -6.527864      4.815115     -1.433898
  C      -6.265321      3.861874     -0.300085
  O      -5.320454      3.067646     -0.350736
  C      -7.134637      3.918724      0.906717
  C      -7.971136      5.012278      1.178095
  C      -8.669293      5.078034      2.380651
  C      -8.541898      4.037391      3.294039
  F      -9.194371      4.145568      4.472327
  C      -7.741456      2.911670      3.051583
  C      -7.630619      1.810947      4.064736
  O      -8.644284      1.293274      4.556136
  N      -6.340124      1.490801      4.418656
  C      -6.155649      0.757785      5.546693
  C      -7.051561      2.877615      1.842825
  H     -10.082716     -0.415707      3.157633
  H     -10.307001     -0.575888      1.387029
  H     -10.217098     -2.033420      2.434621
  H      -9.087177     -2.381201      4.395328
  H      -7.546409     -3.332908      6.112305
  H      -1.207299     -0.921349      3.759514
  H      -5.702145     -1.047348      2.114469
  H      -9.692990     10.937916      1.112180
  H      -8.308332     11.834399      0.469939
  H      -9.480257     11.078616     -0.661039
  H      -7.990132     10.967031      2.739845
  H      -6.574609     10.266683      4.669085
  H      -4.540502      4.054272      2.278235
  H      -6.411261      7.670062      0.453708
  H      -5.929039      4.520930     -2.302424
  H      -6.222646      5.827593     -1.124741
  H      -7.593669      4.857203     -1.697024
  H      -8.058496      5.835011      0.468499
  H      -9.293376      5.935593      2.631053
  H      -6.954011      0.298893      6.141604
  H      -6.461176      1.998854      1.601373
  N      -4.042685      1.502959      1.917984
  H      -3.108074      1.226846      1.593574
  H      -4.370901      2.258954      1.293457
  H      -4.646199      0.707929      1.686968
90
Coordinates from ORCA-job orca E -6670.683233402145
  N      -1.969034      1.071278      3.987930
  Mo     -3.981053      1.600300      4.181896
  N      -4.862902      0.731935      5.821213
  C      -4.176392      0.377531      7.040608
  C      -2.796985      1.049030      6.943662
  N      -2.863985      2.236848      6.046168
  C      -1.494002      2.692033      5.665649
  C      -0.858680      1.735901      4.633494
  C      -3.637474      3.354570      6.645329
  C      -3.944510      4.386001      5.572284
  N      -4.137631      3.700931      4.281178
  H      -0.259827      2.328612      3.924094
  H      -0.188425      1.001699      5.107615
  H      -1.602332      3.686555      5.219813
  H      -0.868301      2.790054      6.567984
  H      -4.851058      4.951937      5.837007
  H      -3.145071      5.139795      5.482086
  H      -4.566970      2.924330      7.037238
  H      -3.083686      3.806347      7.487419
  H      -4.048326     -0.712368      7.145228
  H      -4.745699      0.732354      7.914974
  H      -2.078055      0.350972      6.496982
  H      -2.414844      1.343762      7.935903
  C      -9.824063     -0.946450      2.227705
  C      -8.324762     -0.926056      2.074037
  O      -7.788628     -0.325544      1.143445
  C      -7.488941     -1.609985      3.107902
  C      -8.032480     -2.293988      4.205714
  C      -7.197088     -2.863164      5.164503
  C      -5.819356     -2.736341      5.019128
  F      -5.024962     -3.248992      5.988277
  C      -5.234473     -2.053894      3.946029
  C      -3.745889     -1.887205      3.827196
  O      -2.976483     -2.851016      3.868641
  N      -3.365837     -0.567042      3.722319
  C      -2.055502     -0.230914      3.775851
  C      -6.097188     -1.504028      3.001079
  C      -9.012199     10.901986      0.291884
  C      -8.190883      9.631601      0.266537
  O      -8.227534      8.878875     -0.705135
  C      -7.341143      9.310958      1.451168
  C      -7.377818     10.060272      2.640108
  C      -6.586516      9.690479      3.722266
  C      -5.773041      8.562309      3.624871
  F      -5.015221      8.266541      4.702074
  C      -5.704213      7.782864      2.458382
  C      -4.898795      6.521664      2.274147
  O      -4.515135      6.213404      1.133813
  N      -4.705700      5.801002      3.426318
  C      -4.455614      4.509584      3.269648
  C      -6.486547      8.205377      1.380782
  C      -6.487797      4.787955     -1.405925
  C      -6.243609      3.846606     -0.258532
  O      -5.304976      3.043373     -0.291583
  C      -7.128184      3.916714      0.935305
  C      -7.961945      5.016363      1.191453
  C      -8.671072      5.092661      2.387116
  C      -8.554904      4.058616      3.310579
  F      -9.214123      4.180893      4.483431
  C      -7.754668      2.928840      3.083539
  C      -7.639250      1.839023      4.106505
  O      -8.648989      1.345320      4.630097
  N      -6.345183      1.507613      4.439804
  C      -6.150953      0.779423      5.569238
  C      -7.058159      2.882829      1.879610
  H     -10.098706     -0.382677      3.133428
  H     -10.283295     -0.473281      1.353502
  H     -10.205882     -1.971060      2.344139
  H      -9.112182     -2.371964      4.329823
  H      -7.595597     -3.387956      6.033087
  H      -1.219274     -0.940335      3.770034
  H      -5.694469     -0.976555      2.137278
  H      -9.739909     10.875172      1.117506
  H      -8.371498     11.781595      0.454958
  H      -9.546097     11.004354     -0.658721
  H      -8.024233     10.933647      2.729557
  H      -6.585797     10.261161      4.651423
  H      -4.543014      4.048183      2.279655
  H      -6.428308      7.639171      0.451746
  H      -5.887072      4.475826     -2.266833
  H      -6.171203      5.800242     -1.107492
  H      -7.551396      4.840177     -1.676039
  H      -8.038213      5.835562      0.476548
  H      -9.293524      5.955203      2.626073
  H      -6.945817      0.327882      6.174291
  H      -6.467322      2.000987      1.653562
  N      -4.037072      1.498354      1.923317
  H      -3.098269      1.234284      1.601656
  H      -4.376228      2.244554      1.291997
  H      -4.627401      0.691620      1.698295
