90
Coordinates from ORCA-job orca E -6724.486960887859
  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
  N      -1.439884      2.101648      2.100964
  H      -1.384749      2.792882      1.352816
  H      -0.782885      1.321734      2.075369
90
Coordinates from ORCA-job orca E -6724.520266180621
  N      -3.554879      0.219354      4.818542
  Mo     -3.680676      2.308735      4.637114
  N      -4.996945      2.507431      6.262143
  C      -4.324967      2.961182      7.470757
  C      -3.031082      2.174950      7.685598
  N      -2.237458      1.994726      6.431531
  C      -1.731473      0.605892      6.343921
  C      -2.883134     -0.328180      5.988020
  C      -1.129461      2.981509      6.357325
  C      -1.715745      4.364697      6.024409
  N      -2.822507      4.047103      5.172080
  H      -2.488290     -1.335328      5.792510
  H      -3.602392     -0.409947      6.819245
  H      -0.988126      0.564535      5.538200
  H      -1.253969      0.290898      7.284156
  H      -2.048335      4.908281      6.921276
  H      -0.976569      4.991810      5.505588
  H      -0.558072      3.002232      7.295667
  H      -0.462115      2.677701      5.542290
  H      -4.962818      2.835914      8.358442
  H      -4.117182      4.039504      7.375828
  H      -3.298826      1.187690      8.076497
  H      -2.425376      2.680790      8.449407
  C      -4.094476      4.976100     -1.060011
  C      -4.286346      3.972470      0.037262
  O      -4.101554      4.257174      1.223160
  C      -4.717932      2.592889     -0.329459
  C      -5.399984      2.258191     -1.509586
  C      -5.848868      0.957360     -1.699862
  C      -5.629211     -0.006282     -0.716459
  F      -6.133514     -1.234650     -0.916751
  C      -4.937063      0.288175      0.464109
  C      -4.699826     -0.692438      1.588104
  O      -4.796397     -1.911124      1.472574
  N      -4.393971     -0.015812      2.749389
  C      -3.871158     -0.574463      3.810403
  C      -4.476508      1.597252      0.614665
  C      -7.828432      9.932339     -0.629164
  C      -7.324085      8.622423     -0.087960
  O      -7.498244      7.561919     -0.672162
  C      -6.578330      8.651155      1.216356
  C      -6.138246      9.831107      1.831748
  C      -5.438028      9.779882      3.030816
  C      -5.160085      8.549293      3.611492
  F      -4.504565      8.543795      4.789354
  C      -5.583054      7.346393      3.025300
  C      -5.299844      5.993667      3.568916
  O      -6.072464      5.047604      3.375326
  N      -4.102240      5.868021      4.259233
  C      -3.750516      4.650178      4.516320
  C      -6.304082      7.429496      1.832685
  C     -13.820827     -0.703494      4.170760
  C     -12.755656     -0.047387      5.008435
  O     -12.939283      0.266599      6.174118
  C     -11.426283      0.216420      4.353428
  C     -11.050392     -0.341102      3.124191
  C      -9.801488     -0.058723      2.584965
  C      -8.929720      0.768466      3.278529
  F      -7.736367      1.044401      2.690567
  C      -9.258683      1.343078      4.507892
  C      -8.382186      2.235890      5.332308
  O      -8.888017      3.115928      6.034555
  N      -7.027811      2.000838      5.262643
  C      -6.317280      2.442565      6.276190
  C     -10.527611      1.052412      5.018535
  H      -5.076318      5.284194     -1.444410
  H      -3.582219      5.861140     -0.673258
  H      -3.528369      4.533712     -1.886299
  H      -5.602994      3.008751     -2.269434
  H      -6.388183      0.673745     -2.600475
  H      -3.644146     -1.654556      3.858018
  H      -3.909621      1.838271      1.501114
  H      -8.426354     10.454769      0.126018
  H      -6.978683     10.573177     -0.895869
  H      -8.432083      9.750212     -1.521924
  H      -6.335890     10.799455      1.379717
  H      -5.100123     10.686314      3.527370
  H      -4.448631      3.830034      4.049768
  H      -6.650489      6.507166      1.371134
  H     -14.761896     -0.718420      4.726585
  H     -13.526060     -1.735360      3.941655
  H     -13.952349     -0.167206      3.224549
  H     -11.722258     -0.998164      2.578538
  H      -9.487074     -0.469511      1.628352
  H      -6.851622      2.738978      7.196531
  H     -10.818375      1.495870      5.968526
  N      -2.326870      2.147947      3.098051
  N      -1.508295      2.063171      2.157797
  H      -1.478421      2.776168      1.413507
  H      -0.844648      1.279417      2.093583
90
Coordinates from ORCA-job orca E -6724.544858493178
  N      -3.524135      0.179590      4.860769
  Mo     -3.643674      2.249002      4.670535
  N      -4.940242      2.449628      6.281581
  C      -4.277613      2.904468      7.500705
  C      -2.994178      2.113537      7.715620
  N      -2.202929      1.934069      6.449243
  C      -1.695720      0.535554      6.358074
  C      -2.851941     -0.391305      6.018460
  C      -1.091610      2.925891      6.363657
  C      -1.676951      4.307322      6.037477
  N      -2.792480      4.003119      5.189329
  H      -2.468160     -1.401874      5.812421
  H      -3.562730     -0.473646      6.857811
  H      -0.958093      0.499968      5.545650
  H      -1.207489      0.225192      7.295959
  H      -2.004974      4.851953      6.936583
  H      -0.938365      4.932824      5.513457
  H      -0.514763      2.941546      7.299899
  H      -0.431267      2.616035      5.544196
  H      -4.921693      2.779852      8.384768
  H      -4.065024      3.982750      7.410635
  H      -3.258211      1.121733      8.101015
  H      -2.379534      2.613162      8.478339
  C      -3.981346      5.145244     -1.003526
  C      -4.197025      4.139986      0.092622
  O      -3.967963      4.416462      1.272722
  C      -4.694244      2.777224     -0.272916
  C      -5.405773      2.472847     -1.447291
  C      -5.904181      1.185919     -1.641618
  C      -5.698760      0.205470     -0.668136
  F      -6.241672     -1.005913     -0.874945
  C      -4.979382      0.467229      0.509480
  C      -4.749270     -0.532669      1.615282
  O      -4.877158     -1.748705      1.476679
  N      -4.399287      0.097156      2.805793
  C      -3.874166     -0.556744      3.810513
  C      -4.481947      1.763869      0.660398
  C      -7.888595      9.666228     -0.783881
  C      -7.354371      8.385604     -0.189431
  O      -7.499939      7.301345     -0.747940
  C      -6.622205      8.469937      1.120847
  C      -6.216402      9.684433      1.700332
  C      -5.521356      9.694379      2.907318
  C      -5.216722      8.488217      3.531157
  F      -4.567465      8.541600      4.711776
  C      -5.606448      7.251833      2.984706
  C      -5.297498      5.918552      3.568446
  O      -6.052489      4.959248      3.392569
  N      -4.086616      5.827848      4.271975
  C      -3.725119      4.616876      4.536378
  C      -6.322162      7.275468      1.782474
  C     -13.834747     -0.663933      4.171495
  C     -12.744537     -0.056736      5.023348
  O     -12.909088      0.178951      6.216391
  C     -11.430904      0.256312      4.360432
  C     -11.085897     -0.220000      3.083457
  C      -9.849952      0.097987      2.526637
  C      -8.959224      0.881066      3.253230
  F      -7.792062      1.204085      2.658966
  C      -9.255253      1.373848      4.530418
  C      -8.348851      2.212562      5.377280
  O      -8.832239      3.055538      6.140666
  N      -6.979849      1.974829      5.263846
  C      -6.281397      2.383309      6.288376
  C     -10.513426      1.050237      5.056999
  H      -4.956759      5.502578     -1.373744
  H      -3.421793      6.005241     -0.618559
  H      -3.446364      4.681376     -1.843469
  H      -5.592511      3.237622     -2.202977
  H      -6.467429      0.925989     -2.538967
  H      -3.679421     -1.644164      3.795417
  H      -3.901737      1.983976      1.545074
  H      -8.510687     10.204713     -0.053890
  H      -7.052670     10.325935     -1.065593
  H      -8.478361      9.436102     -1.678028
  H      -6.436340     10.634430      1.211511
  H      -5.208389     10.628304      3.376243
  H      -4.440125      3.794492      4.065463
  H      -6.642287      6.327646      1.348064
  H     -14.762615     -0.717913      4.751744
  H     -13.546335     -1.681878      3.864700
  H     -13.995682     -0.070084      3.260035
  H     -11.776604     -0.842360      2.513131
  H      -9.561697     -0.248306      1.533078
  H      -6.810019      2.672273      7.214764
  H     -10.780446      1.430597      6.043967
  N      -2.369953      2.120324      3.193625
  N      -1.564156      2.076196      2.234060
  H      -1.564625      2.812883      1.506207
  H      -0.887228      1.305419      2.131244
90
Coordinates from ORCA-job orca E -6724.561486294149
  N      -3.499324      0.148132      4.894243
  Mo     -3.617283      2.200945      4.692303
  N      -4.898017      2.399335      6.297893
  C      -4.242674      2.854226      7.523526
  C      -2.963108      2.062056      7.732811
  N      -2.177065      1.887990      6.455108
  C      -1.663355      0.484667      6.360066
  C      -2.823108     -0.440483      6.036370
  C      -1.067956      2.887859      6.359868
  C      -1.657007      4.267739      6.043950
  N      -2.780026      3.975168      5.198459
  H      -2.449323     -1.453209      5.819728
  H      -3.523352     -0.523761      6.884474
  H      -0.932363      0.456983      5.541127
  H      -1.163090      0.182408      7.294655
  H      -1.980776      4.809270      6.947076
  H      -0.920370      4.894501      5.517636
  H      -0.485808      2.898783      7.293170
  H      -0.413873      2.576137      5.535707
  H      -4.889874      2.726539      8.405209
  H      -4.029410      3.932876      7.439637
  H      -3.219040      1.065271      8.111418
  H      -2.338474      2.555722      8.491973
  C      -3.933334      5.272915     -0.945123
  C      -4.154150      4.272442      0.155306
  O      -3.853491      4.531695      1.322577
  C      -4.729630      2.935899     -0.194164
  C      -5.491208      2.664439     -1.345710
  C      -6.044315      1.396685     -1.529943
  C      -5.838424      0.401573     -0.570735
  F      -6.424757     -0.790250     -0.770509
  C      -5.072539      0.630324      0.586924
  C      -4.830472     -0.383890      1.668650
  O      -4.989982     -1.594479      1.517920
  N      -4.423088      0.205178      2.873096
  C      -3.884482     -0.530485      3.815323
  C      -4.533249      1.910185      0.727697
  C      -7.834711      9.459114     -0.954662
  C      -7.293811      8.204171     -0.308683
  O      -7.405854      7.104448     -0.848745
  C      -6.602400      8.329575      1.017944
  C      -6.233485      9.567159      1.576255
  C      -5.568455      9.622116      2.799820
  C      -5.259129      8.436060      3.461195
  F      -4.639164      8.530794      4.654722
  C      -5.614800      7.178445      2.939710
  C      -5.299781      5.862196      3.559417
  O      -6.034714      4.890931      3.383661
  N      -4.087305      5.800661      4.282368
  C      -3.715083      4.594870      4.550985
  C      -6.300360      7.157764      1.718922
  C     -13.800479     -0.711186      4.148767
  C     -12.696857     -0.147740      5.017036
  O     -12.840434     -0.013129      6.230497
  C     -11.408894      0.247520      4.354421
  C     -11.091406     -0.116819      3.032309
  C      -9.878399      0.269167      2.466768
  C      -8.980620      1.009199      3.231895
  F      -7.844203      1.412081      2.637668
  C      -9.249187      1.389434      4.555428
  C      -8.329174      2.175850      5.433058
  O      -8.800841      2.957676      6.263728
  N      -6.947358      1.957278      5.272926
  C      -6.251619      2.329915      6.307353
  C     -10.486569      1.001501      5.089331
  H      -4.902836      5.682338     -1.279876
  H      -3.315484      6.101047     -0.577894
  H      -3.452529      4.783899     -1.804787
  H      -5.672124      3.439969     -2.093719
  H      -6.646455      1.162079     -2.410008
  H      -3.721992     -1.619602      3.741370
  H      -3.924662      2.109513      1.598296
  H      -8.489483     10.008529     -0.260022
  H      -7.004787     10.131530     -1.230056
  H      -8.392618      9.192068     -1.859793
  H      -6.457803     10.500635      1.055847
  H      -5.282648     10.573685      3.252564
  H      -4.444584      3.771193      4.074193
  H      -6.592565      6.193377      1.299706
  H     -14.709786     -0.831345      4.749431
  H     -13.502819     -1.696195      3.751172
  H     -14.002175     -0.053116      3.289161
  H     -11.789813     -0.704707      2.433107
  H      -9.614539      0.011982      1.438922
  H      -6.766703      2.606101      7.244843
  H     -10.733105      1.294802      6.111675
  N      -2.420853      2.112444      3.279761
  N      -1.626931      2.127507      2.297849
  H      -1.666849      2.890794      1.599376
  H      -0.935961      1.379794      2.149674
90
Coordinates from ORCA-job orca E -6724.572241850610
  N      -3.469328      0.120762      4.941255
  Mo     -3.592376      2.162805      4.710712
  N      -4.855314      2.365924      6.328671
  C      -4.194072      2.826067      7.550015
  C      -2.910060      2.038620      7.743670
  N      -2.138923      1.867766      6.451459
  C      -1.610535      0.464828      6.357827
  C      -2.772085     -0.468243      6.065567
  C      -1.039735      2.880164      6.335445
  C      -1.642879      4.255124      6.030291
  N      -2.775751      3.963457      5.194874
  H      -2.406765     -1.483221      5.843970
  H      -3.451762     -0.546021      6.930421
  H      -0.892677      0.441568      5.527371
  H      -1.090246      0.182129      7.287419
  H      -1.959138      4.793509      6.938144
  H      -0.915035      4.886009      5.496444
  H      -0.445839      2.893441      7.261283
  H      -0.395644      2.567886      5.503558
  H      -4.834607      2.696180      8.436334
  H      -3.983720      3.905196      7.466557
  H      -3.151443      1.038564      8.122410
  H      -2.269911      2.532267      8.489908
  C      -4.003508      5.313151     -0.868555
  C      -4.186247      4.320301      0.244689
  O      -3.743446      4.540750      1.374278
  C      -4.883186      3.030830     -0.050078
  C      -5.751012      2.809615     -1.134894
  C      -6.386199      1.574987     -1.275721
  C      -6.152527      0.561421     -0.342930
  F      -6.808770     -0.599002     -0.502692
  C      -5.287327      0.743182      0.752015
  C      -4.998868     -0.286149      1.798065
  O      -5.205626     -1.488689      1.651942
  N      -4.485837      0.269603      2.985110
  C      -3.904247     -0.519965      3.860186
  C      -4.679568      1.993401      0.854676
  C      -7.672889      9.332234     -1.134256
  C      -7.148469      8.093509     -0.444571
  O      -7.221881      6.986911     -0.977929
  C      -6.523353      8.240893      0.909666
  C      -6.192003      9.490001      1.466212
  C      -5.578684      9.568805      2.714732
  C      -5.285681      8.394103      3.403418
  F      -4.714126      8.509231      4.618744
  C      -5.609115      7.126781      2.887502
  C      -5.305287      5.821048      3.534133
  O      -6.021924      4.840553      3.343167
  N      -4.103308      5.780265      4.283059
  C      -3.717593      4.579215      4.556303
  C      -6.242723      7.082193      1.639921
  C     -13.666885     -0.848184      3.981248
  C     -12.572858     -0.334658      4.892214
  O     -12.701000     -0.352970      6.114534
  C     -11.320867      0.201353      4.266125
  C     -11.017526      0.016056      2.904050
  C      -9.838418      0.525831      2.366868
  C      -8.957633      1.210029      3.201004
  F      -7.861952      1.750229      2.640909
  C      -9.212418      1.410253      4.567047
  C      -8.305377      2.130812      5.509338
  O      -8.786384      2.809373      6.419028
  N      -6.913836      1.963749      5.308677
  C      -6.212583      2.293010      6.353182
  C     -10.418218      0.904725      5.071850
  H      -4.968682      5.792961     -1.111021
  H      -3.295215      6.090947     -0.559507
  H      -3.640596      4.795823     -1.768353
  H      -5.946590      3.597332     -1.866297
  H      -7.069869      1.378838     -2.103936
  H      -3.776689     -1.608764      3.745915
  H      -4.002121      2.160316      1.679823
  H      -8.367417      9.884668     -0.481702
  H      -6.840825     10.014212     -1.378496
  H      -8.181971      9.044286     -2.061346
  H      -6.403110     10.413471      0.923032
  H      -5.320277     10.528680      3.166029
  H      -4.458784      3.750203      4.082389
  H      -6.506980      6.109869      1.220893
  H     -14.554586     -1.084780      4.579416
  H     -13.331855     -1.762451      3.462435
  H     -13.921416     -0.106576      3.207810
  H     -11.703835     -0.527215      2.251230
  H      -9.589872      0.411218      1.309914
  H      -6.709932      2.550011      7.305134
  H     -10.654787      1.058832      6.126455
  N      -2.449778      2.112934      3.325590
  N      -1.674844      2.197124      2.320290
  H      -1.764537      2.985347      1.658289
  H      -0.971226      1.477908      2.122743
90
Coordinates from ORCA-job orca E -6724.581413178747
  N      -3.453557      0.080464      5.010969
  Mo     -3.577523      2.110517      4.722534
  N      -4.817706      2.348827      6.361813
  C      -4.138312      2.827498      7.565117
  C      -2.849602      2.042749      7.744922
  N      -2.102214      1.853235      6.437878
  C      -1.562800      0.449584      6.362939
  C      -2.728817     -0.493694      6.120230
  C      -1.011607      2.871757      6.282040
  C      -1.626168      4.239854      5.972580
  N      -2.773589      3.940447      5.157174
  H      -2.375866     -1.514678      5.906434
  H      -3.382749     -0.551025      7.005820
  H      -0.863104      0.416206      5.517892
  H      -1.018782      0.199062      7.287673
  H      -1.927912      4.787725      6.879581
  H      -0.908084      4.865522      5.419811
  H      -0.400777      2.898829      7.196446
  H      -0.382834      2.546266      5.443688
  H      -4.765474      2.710303      8.462673
  H      -3.927331      3.904900      7.465087
  H      -3.078573      1.046905      8.140241
  H      -2.187588      2.544833      8.465737
  C      -4.101536      5.319209     -0.766419
  C      -4.217449      4.328313      0.356318
  O      -3.605080      4.486839      1.416693
  C      -5.053704      3.108767      0.151766
  C      -6.049440      2.963882     -0.830140
  C      -6.784896      1.781160     -0.902977
  C      -6.523302      0.741937     -0.008015
  F      -7.270644     -0.369134     -0.102579
  C      -5.538590      0.851969      0.990460
  C      -5.207675     -0.203503      1.988642
  O      -5.486288     -1.390764      1.855061
  N      -4.567089      0.305161      3.138310
  C      -3.950552     -0.533703      3.946527
  C      -4.838920      2.054640      1.033442
  C      -7.534759      9.254544     -1.286393
  C      -7.025099      8.023193     -0.575287
  O      -7.070804      6.916122     -1.110367
  C      -6.449454      8.175731      0.797539
  C      -6.143119      9.427645      1.360878
  C      -5.568495      9.512527      2.626152
  C      -5.290909      8.340734      3.325405
  F      -4.755208      8.458850      4.556073
  C      -5.593115      7.071965      2.804994
  C      -5.300924      5.769937      3.463842
  O      -6.004224      4.784061      3.256714
  N      -4.114090      5.742584      4.235796
  C      -3.722078      4.545782      4.524576
  C      -6.187968      7.020917      1.539800
  C     -13.467719     -1.004956      3.717248
  C     -12.400014     -0.535006      4.680612
  O     -12.518524     -0.706428      5.890660
  C     -11.189712      0.148465      4.124271
  C     -10.890721      0.150493      2.749732
  C      -9.751994      0.793669      2.274252
  C      -8.904751      1.422456      3.182639
  F      -7.857010      2.108269      2.689244
  C      -9.154895      1.432494      4.564249
  C      -8.278167      2.087252      5.578849
  O      -8.781249      2.650155      6.550938
  N      -6.881165      1.981891      5.356680
  C      -6.172683      2.278300      6.407265
  C     -10.322775      0.800666      5.007543
  H      -5.047192      5.878719     -0.879750
  H      -3.295951      6.030016     -0.550089
  H      -3.903561      4.786605     -1.707007
  H      -6.262587      3.769359     -1.535700
  H      -7.566810      1.643962     -1.651184
  H      -3.870437     -1.622217      3.804461
  H      -4.073434      2.169358      1.787558
  H      -8.255993      9.803836     -0.661943
  H      -6.702252      9.944284     -1.502387
  H      -8.007177      8.958985     -2.229617
  H      -6.342168     10.347622      0.809013
  H      -5.328444     10.473632      3.082880
  H      -4.479067      3.709166      4.070003
  H      -6.436063      6.047388      1.115869
  H     -14.332121     -1.365855      4.285486
  H     -13.082535     -1.827303      3.091957
  H     -13.775768     -0.196388      3.036923
  H     -11.551570     -0.348269      2.039148
  H      -9.511968      0.828318      1.210420
  H      -6.652625      2.523503      7.370764
  H     -10.556792      0.808310      6.073310
  N      -2.470286      2.074489      3.330039
  N      -1.725293      2.221341      2.300932
  H      -1.871696      3.026673      1.675510
  H      -1.013447      1.530051      2.055731
90
Coordinates from ORCA-job orca E -6724.589280770590
  N      -3.474142      0.055038      5.100865
  Mo     -3.583375      2.069806      4.734420
  N      -4.813445      2.367617      6.388412
  C      -4.118744      2.873420      7.569034
  C      -2.830897      2.084141      7.750151
  N      -2.101356      1.856866      6.436839
  C      -1.558969      0.449997      6.398141
  C      -2.733829     -0.497219      6.204810
  C      -1.012474      2.871479      6.240989
  C      -1.626962      4.233790      5.911602
  N      -2.784627      3.928539      5.109804
  H      -2.399498     -1.528541      6.012930
  H      -3.368763     -0.519193      7.105233
  H      -0.871683      0.392877      5.544832
  H      -0.999993      0.237997      7.322830
  H      -1.916669      4.800052      6.810901
  H      -0.910167      4.844555      5.341092
  H      -0.391689      2.916502      7.147912
  H      -0.394493      2.521769      5.404675
  H      -4.737031      2.781818      8.475613
  H      -3.900713      3.946322      7.441958
  H      -3.057063      1.099173      8.171124
  H      -2.147543      2.596601      8.442647
  C      -4.108063      5.092369     -0.947464
  C      -4.227986      4.190446      0.245321
  O      -3.547773      4.368925      1.263379
  C      -5.151044      3.025237      0.167827
  C      -6.197228      2.881555     -0.758417
  C      -7.000909      1.744841     -0.722305
  C      -6.753156      0.746446      0.219104
  F      -7.557754     -0.327877      0.221118
  C      -5.720421      0.858248      1.165574
  C      -5.391385     -0.164688      2.190063
  O      -5.715767     -1.342369      2.114370
  N      -4.657130      0.334355      3.290743
  C      -4.029549     -0.539953      4.061473
  C      -4.959535      2.019812      1.109822
  C      -7.480222      9.462432     -1.238671
  C      -6.969708      8.202958     -0.584586
  O      -7.007446      7.123953     -1.174009
  C      -6.404642      8.288880      0.795328
  C      -6.107667      9.512633      1.419750
  C      -5.543734      9.538203      2.690444
  C      -5.268900      8.335366      3.334450
  F      -4.745040      8.393235      4.573559
  C      -5.560170      7.093296      2.752762
  C      -5.271250      5.765514      3.360782
  O      -5.963069      4.784094      3.102342
  N      -4.109542      5.723720      4.161566
  C      -3.728587      4.525873      4.472972
  C      -6.144235      7.100868      1.483234
  C     -13.282356     -1.165632      3.529361
  C     -12.244450     -0.706921      4.528172
  O     -12.353484     -0.974039      5.719457
  C     -11.076837      0.084814      4.031217
  C     -10.782066      0.211819      2.663622
  C      -9.683992      0.953399      2.242317
  C      -8.871355      1.555521      3.197779
  F      -7.866948      2.344716      2.762205
  C      -9.118261      1.439265      4.574422
  C      -8.275136      2.062735      5.635515
  O      -8.800407      2.539667      6.638724
  N      -6.877789      2.014008      5.401172
  C      -6.161960      2.303397      6.451392
  C     -10.246705      0.713016      4.964492
  H      -5.022186      5.700271     -1.061773
  H      -3.249469      5.759832     -0.818679
  H      -3.990930      4.486131     -1.854922
  H      -6.395920      3.652465     -1.503762
  H      -7.823383      1.609480     -1.424110
  H      -4.003761     -1.628166      3.910950
  H      -4.159032      2.139984      1.825034
  H      -8.207205      9.978504     -0.595042
  H      -6.651835     10.166137     -1.415079
  H      -7.943812      9.209278     -2.197369
  H      -6.307327     10.455863      0.911888
  H      -5.311740     10.475498      3.195173
  H      -4.504789      3.686253      4.037593
  H      -6.390489      6.149381      1.013975
  H     -14.121969     -1.617252      4.067144
  H     -12.851551     -1.913908      2.845784
  H     -13.638241     -0.330342      2.909229
  H     -11.415977     -0.265242      1.916713
  H      -9.451976      1.086021      1.185963
  H      -6.627350      2.549147      7.421475
  H     -10.478539      0.622729      6.026036
  N      -2.482671      2.034574      3.332944
  N      -1.763503      2.256186      2.292172
  H      -1.970666      3.079313      1.712338
  H      -1.040898      1.599077      2.001729
90
Coordinates from ORCA-job orca E -6724.596059867824
  N      -3.501457      0.022177      5.077260
  Mo     -3.616637      2.026169      4.689527
  N      -4.884392      2.321468      6.341688
  C      -4.203695      2.838395      7.521458
  C      -2.910449      2.059121      7.715313
  N      -2.167682      1.835812      6.410868
  C      -1.602435      0.435520      6.383205
  C      -2.764689     -0.531663      6.177207
  C      -1.092175      2.866978      6.232023
  C      -1.720630      4.222764      5.904678
  N      -2.861719      3.914350      5.077723
  H      -2.423925     -1.560127      5.983687
  H      -3.406009     -0.559092      7.072619
  H      -0.905936      0.388755      5.537387
  H      -1.049090      0.242548      7.314515
  H      -2.030203      4.777518      6.804068
  H      -1.000053      4.845916      5.353038
  H      -0.484591      2.915518      7.147642
  H      -0.457955      2.528323      5.403781
  H      -4.828434      2.739691      8.422748
  H      -3.995144      3.913122      7.396348
  H      -3.132473      1.073541      8.134975
  H      -2.229822      2.574839      8.407361
  C      -3.979944      5.206105     -0.994202
  C      -4.097403      4.308455      0.200527
  O      -3.390610      4.463775      1.207855
  C      -5.052534      3.173319      0.143279
  C      -6.090469      3.050780     -0.793138
  C      -6.919688      1.935960     -0.761291
  C      -6.707659      0.939410      0.186898
  F      -7.528577     -0.122425      0.176476
  C      -5.693005      1.034329      1.152245
  C      -5.416714     -0.003989      2.172341
  O      -5.763915     -1.170517      2.068211
  N      -4.673992      0.428083      3.297325
  C      -4.081259     -0.514381      4.026417
  C      -4.900340      2.174032      1.102767
  C      -7.171133      9.577853     -1.384536
  C      -6.699837      8.306761     -0.729291
  O      -6.685110      7.244269     -1.348050
  C      -6.238128      8.357641      0.688211
  C      -5.994616      9.563393      1.366118
  C      -5.522001      9.554051      2.672387
  C      -5.285212      8.335008      3.299592
  F      -4.849391      8.358355      4.572928
  C      -5.526980      7.110015      2.664222
  C      -5.270785      5.767318      3.254667
  O      -5.930127      4.787851      2.914909
  N      -4.165079      5.709186      4.115038
  C      -3.791815      4.506107      4.425825
  C      -6.020458      7.152515      1.359547
  C     -13.340266     -1.458327      3.841072
  C     -12.261671     -0.974958      4.780948
  O     -12.284162     -1.264626      5.969787
  C     -11.159605     -0.129440      4.227204
  C     -10.960126      0.039038      2.849654
  C      -9.918861      0.828775      2.378266
  C      -9.065987      1.438977      3.291186
  F      -8.109977      2.267036      2.809245
  C      -9.222206      1.285610      4.675472
  C      -8.345691      1.923894      5.701450
  O      -8.834613      2.359662      6.739404
  N      -6.967357      1.929535      5.390210
  C      -6.223100      2.238476      6.418107
  C     -10.294390      0.510209      5.118602
  H      -4.881955      5.832138     -1.095542
  H      -3.103943      5.852036     -0.882713
  H      -3.896098      4.601542     -1.905520
  H      -6.258292      3.819169     -1.546418
  H      -7.733477      1.814819     -1.473714
  H      -4.095514     -1.591129      3.815198
  H      -4.110382      2.285331      1.831257
  H      -7.946282     10.071520     -0.783418
  H      -6.339561     10.290838     -1.480496
  H      -7.560294      9.347186     -2.380089
  H      -6.164237     10.518374      0.872862
  H      -5.332389     10.475941      3.218533
  H      -4.559628      3.667605      3.967470
  H      -6.229516      6.214984      0.848701
  H     -14.123997     -1.952021      4.422297
  H     -12.925165     -2.175558      3.118071
  H     -13.767414     -0.629642      3.260909
  H     -11.623303     -0.443951      2.134913
  H      -9.764242      0.990766      1.314913
  H      -6.670861      2.465000      7.400951
  H     -10.455169      0.389982      6.189320
  N      -2.466262      2.044693      3.297775
  N      -1.756295      2.392108      2.285223
  H      -2.031503      3.242585      1.774697
  H      -1.002830      1.795674      1.950420
90
Coordinates from ORCA-job orca E -6724.600854492356
  N      -3.505940     -0.016207      5.105503
  Mo     -3.599121      1.972514      4.664732
  N      -4.886007      2.306103      6.300053
  C      -4.206803      2.841707      7.474696
  C      -2.918202      2.061825      7.693147
  N      -2.169617      1.815457      6.396883
  C      -1.597263      0.415953      6.394018
  C      -2.756579     -0.559684      6.203325
  C      -1.095023      2.847220      6.209977
  C      -1.727512      4.196828      5.867822
  N      -2.860389      3.877199      5.033251
  H      -2.418145     -1.590922      6.021119
  H      -3.392536     -0.574241      7.103416
  H      -0.901342      0.357828      5.547987
  H      -1.043108      0.242614      7.328850
  H      -2.045691      4.757396      6.760480
  H      -1.004238      4.819184      5.318151
  H      -0.489811      2.908010      7.126859
  H      -0.456296      2.502833      5.387338
  H      -4.836690      2.758057      8.373923
  H      -3.995150      3.913950      7.334651
  H      -3.149333      1.084523      8.128796
  H      -2.238759      2.585726      8.380604
  C      -3.884200      5.249838     -0.932431
  C      -3.983873      4.343620      0.256682
  O      -3.194902      4.437305      1.210047
  C      -5.025164      3.282862      0.259175
  C      -6.112845      3.243423     -0.628374
  C      -7.020682      2.191427     -0.565610
  C      -6.836714      1.171912      0.364119
  F      -7.727435      0.168410      0.378793
  C      -5.775480      1.186186      1.286027
  C      -5.528384      0.106623      2.271837
  O      -5.955596     -1.033966      2.154173
  N      -4.718102      0.460645      3.380260
  C      -4.143926     -0.525945      4.070500
  C      -4.904791      2.268220      1.210284
  C      -7.142865      9.553225     -1.470810
  C      -6.657279      8.282081     -0.823805
  O      -6.620244      7.225018     -1.453354
  C      -6.209345      8.327029      0.599898
  C      -5.993132      9.529806      1.294232
  C      -5.533534      9.513913      2.606671
  C      -5.281575      8.291836      3.223978
  F      -4.859711      8.311188      4.502809
  C      -5.494109      7.068515      2.569931
  C      -5.222759      5.719780      3.143197
  O      -5.863510      4.736916      2.772681
  N      -4.144991      5.665420      4.034762
  C      -3.782953      4.462814      4.361111
  C      -5.976791      7.118534      1.260894
  C     -13.292390     -1.606430      3.842676
  C     -12.200595     -1.124302      4.769220
  O     -12.170721     -1.468532      5.945470
  C     -11.149668     -0.211746      4.217871
  C     -11.008795      0.033479      2.843405
  C     -10.012448      0.883451      2.376117
  C      -9.145664      1.476653      3.287633
  F      -8.237301      2.358638      2.812682
  C      -9.242787      1.248950      4.667419
  C      -8.352067      1.866836      5.697866
  O      -8.828901      2.252667      6.763322
  N      -6.982284      1.906090      5.358102
  C      -6.226327      2.225863      6.374785
  C     -10.272327      0.414416      5.108973
  H      -4.747670      5.936658     -0.969984
  H      -2.960819      5.834913     -0.873483
  H      -3.901152      4.656021     -1.855831
  H      -6.257983      4.029372     -1.369512
  H      -7.873853      2.136553     -1.240886
  H      -4.219305     -1.596350      3.840036
  H      -4.077618      2.318162      1.903850
  H      -7.932094     10.028750     -0.871422
  H      -6.320507     10.280400     -1.550665
  H      -7.518935      9.327436     -2.473363
  H      -6.175756     10.488199      0.809616
  H      -5.366490     10.433873      3.165711
  H      -4.545139      3.625037      3.905429
  H      -6.169720      6.182655      0.738822
  H     -14.036801     -2.157616      4.425575
  H     -12.874752     -2.272876      3.072485
  H     -13.771234     -0.768659      3.316587
  H     -11.682553     -0.436309      2.127808
  H      -9.905246      1.104021      1.316212
  H      -6.672383      2.453480      7.358685
  H     -10.388394      0.235354      6.178104
  N      -2.418601      1.991607      3.300874
  N      -1.711575      2.394042      2.313184
  H      -2.021693      3.255688      1.822272
  H      -0.942003      1.821804      1.963695
90
Coordinates from ORCA-job orca E -6724.604541969434
  N      -3.527284     -0.004735      5.120113
  Mo     -3.599879      1.981163      4.658994
  N      -4.903135      2.325541      6.282320
  C      -4.220350      2.868166      7.455914
  C      -2.933764      2.088473      7.686464
  N      -2.181812      1.837347      6.394408
  C      -1.601872      0.442499      6.394681
  C      -2.755252     -0.541413      6.210348
  C      -1.109152      2.872903      6.210216
  C      -1.751147      4.219599      5.877580
  N      -2.878141      3.894338      5.038385
  H      -2.410621     -1.570245      6.027008
  H      -3.383739     -0.558546      7.116544
  H      -0.909276      0.383993      5.545234
  H      -1.044912      0.274516      7.329122
  H      -2.075505      4.770476      6.773916
  H      -1.031403      4.853852      5.336008
  H      -0.500990      2.933957      7.125652
  H      -0.469469      2.537837      5.384101
  H      -4.851636      2.785725      8.354311
  H      -4.010067      3.940114      7.313253
  H      -3.173586      1.114235      8.127214
  H      -2.257654      2.613859      8.376621
  C      -3.840661      5.085636     -1.113362
  C      -3.976253      4.239615      0.113586
  O      -3.219058      4.406148      1.082770
  C      -5.006987      3.165637      0.139177
  C      -6.049577      3.064742     -0.798860
  C      -6.958936      2.012684     -0.721136
  C      -6.815377      1.047993      0.273008
  F      -7.692093      0.033706      0.290776
  C      -5.798106      1.121677      1.245074
  C      -5.585827      0.074061      2.278113
  O      -6.005366     -1.073764      2.172098
  N      -4.787836      0.448281      3.391025
  C      -4.213285     -0.522109      4.107229
  C      -4.929325      2.207159      1.154490
  C      -7.070389      9.752081     -1.389123
  C      -6.599293      8.460373     -0.768593
  O      -6.557641      7.417473     -1.423505
  C      -6.167780      8.469609      0.663576
  C      -5.951855      9.653337      1.392352
  C      -5.503297      9.599915      2.709799
  C      -5.260878      8.360359      3.297909
  F      -4.847825      8.347887      4.580546
  C      -5.473731      7.153687      2.607129
  C      -5.211397      5.784687      3.139919
  O      -5.857469      4.819337      2.724014
  N      -4.149166      5.694992      4.043753
  C      -3.799700      4.484315      4.359853
  C      -5.947935      7.242978      1.296178
  C     -13.306702     -1.695752      3.925098
  C     -12.209833     -1.196310      4.838337
  O     -12.159440     -1.536513      6.018025
  C     -11.177192     -0.270511      4.267974
  C     -11.063146     -0.019040      2.889942
  C     -10.080005      0.840993      2.408140
  C      -9.202665      1.438935      3.306988
  F      -8.301447      2.316223      2.814813
  C      -9.274583      1.211920      4.688410
  C      -8.378199      1.841715      5.711923
  O      -8.857003      2.220998      6.783098
  N      -7.014851      1.901445      5.357673
  C      -6.245396      2.240119      6.359368
  C     -10.289516      0.363752      5.145672
  H      -4.717012      5.748291     -1.233174
  H      -2.933507      5.696377     -1.045246
  H      -3.798555      4.442295     -2.001896
  H      -6.162281      3.808967     -1.589233
  H      -7.779097      1.914605     -1.433855
  H      -4.308799     -1.594027      3.888576
  H      -4.138248      2.302706      1.884677
  H      -7.866324     10.215754     -0.786486
  H      -6.240833     10.476301     -1.437503
  H      -7.434378      9.556065     -2.403650
  H      -6.125832     10.626872      0.931232
  H      -5.336915     10.505636      3.295084
  H      -4.551775      3.655022      3.898846
  H      -6.146192      6.321392      0.749308
  H     -14.037525     -2.257475      4.517529
  H     -12.886971     -2.357924      3.150214
  H     -13.804103     -0.863883      3.403855
  H     -11.745017     -0.493285      2.182195
  H      -9.990953      1.063051      1.344309
  H      -6.691954      2.466948      7.344081
  H     -10.386243      0.182700      6.217538
  N      -2.387515      2.013730      3.312843
  N      -1.685264      2.470345      2.355284
  H      -2.026467      3.345867      1.878225
  H      -0.903568      1.918306      1.988189
90
Coordinates from ORCA-job orca E -6724.607772472749
  N      -3.534934     -0.024065      5.165899
  Mo     -3.594669      1.948988      4.669445
  N      -4.895086      2.321379      6.290526
  C      -4.203261      2.871330      7.455354
  C      -2.918345      2.087003      7.685628
  N      -2.171325      1.822284      6.391933
  C      -1.588541      0.427814      6.398471
  C      -2.737849     -0.563662      6.235466
  C      -1.098247      2.855651      6.187726
  C      -1.742943      4.201546      5.856629
  N      -2.878223      3.872110      5.029578
  H      -2.389725     -1.588927      6.040319
  H      -3.347851     -0.589981      7.154153
  H      -0.907514      0.365561      5.540142
  H      -1.018625      0.268834      7.326386
  H      -2.059499      4.754201      6.754685
  H      -1.028622      4.835994      5.308071
  H      -0.475806      2.919484      7.093288
  H      -0.472067      2.515259      5.353628
  H      -4.830822      2.796563      8.357265
  H      -3.991441      3.941235      7.304987
  H      -3.162438      1.117081      8.132964
  H      -2.237553      2.612599      8.370696
  C      -3.863509      5.118341     -1.121196
  C      -3.950181      4.260783      0.103689
  O      -3.159873      4.429115      1.046744
  C      -4.987221      3.198058      0.167311
  C      -6.046264      3.103725     -0.751801
  C      -6.976056      2.074563     -0.642993
  C      -6.836769      1.125142      0.364943
  F      -7.735776      0.132885      0.414492
  C      -5.802596      1.191038      1.320302
  C      -5.609682      0.142928      2.356315
  O      -6.083064     -0.983387      2.267464
  N      -4.797100      0.484112      3.468732
  C      -4.278833     -0.516094      4.185868
  C      -4.908423      2.252223      1.195348
  C      -7.104781      9.685924     -1.414981
  C      -6.634352      8.400111     -0.782092
  O      -6.604559      7.348675     -1.422772
  C      -6.187176      8.425487      0.644467
  C      -5.957052      9.615896      1.357068
  C      -5.491044      9.574280      2.668536
  C      -5.244611      8.340391      3.266356
  F      -4.812167      8.339812      4.542168
  C      -5.471397      7.127930      2.592325
  C      -5.207359      5.762436      3.132538
  O      -5.850034      4.795123      2.717055
  N      -4.143562      5.675227      4.033165
  C      -3.800672      4.462419      4.351125
  C      -5.964118      7.205561      1.287872
  C     -13.259935     -1.708005      3.823027
  C     -12.171787     -1.227452      4.756117
  O     -12.116287     -1.614067      5.920396
  C     -11.154144     -0.264565      4.224776
  C     -11.053058      0.053399      2.859618
  C     -10.081664      0.944106      2.412238
  C      -9.203730      1.507055      3.332815
  F      -8.305234      2.407242      2.875630
  C      -9.266194      1.217350      4.702533
  C      -8.372355      1.814526      5.746208
  O      -8.852062      2.152265      6.829994
  N      -7.011624      1.892358      5.386070
  C      -6.236298      2.235863      6.380582
  C     -10.268183      0.337518      5.125920
  H      -4.750753      5.770131     -1.210513
  H      -2.962796      5.739716     -1.075794
  H      -3.840984      4.484076     -2.018223
  H      -6.159547      3.840861     -1.548158
  H      -7.811642      1.985221     -1.337874
  H      -4.431009     -1.581185      3.967255
  H      -4.100977      2.341597      1.910353
  H      -7.892529     10.161052     -0.811116
  H      -6.272154     10.404891     -1.479492
  H      -7.478778      9.479262     -2.423401
  H      -6.133218     10.584888      0.888264
  H      -5.313379     10.485088      3.241564
  H      -4.555646      3.637943      3.899266
  H      -6.176597      6.279094      0.755356
  H     -13.980153     -2.306982      4.390845
  H     -12.828567     -2.329106      3.021392
  H     -13.772442     -0.864378      3.337092
  H     -11.734583     -0.393905      2.135001
  H     -10.000536      1.214720      1.359510
  H      -6.675534      2.466453      7.368013
  H     -10.356847      0.106512      6.188468
  N      -2.394630      1.969317      3.319531
  N      -1.710747      2.452155      2.358175
  H      -2.086184      3.312541      1.883222
  H      -0.936591      1.910215      1.966655
90
Coordinates from ORCA-job orca E -6724.610268800646
  N      -3.517248     -0.027199      5.168462
  Mo     -3.570711      1.945157      4.662231
  N      -4.886937      2.320402      6.267386
  C      -4.201847      2.864853      7.438914
  C      -2.918414      2.079256      7.674365
  N      -2.157821      1.823190      6.386645
  C      -1.564897      0.434294      6.386541
  C      -2.698519     -0.572729      6.219818
  C      -1.088698      2.863313      6.187722
  C      -1.741826      4.207773      5.865567
  N      -2.873895      3.872410      5.036548
  H      -2.329185     -1.585367      5.999978
  H      -3.297353     -0.633358      7.144550
  H      -0.885820      0.384643      5.525847
  H      -0.990982      0.272316      7.311403
  H      -2.064840      4.749842      6.768110
  H      -1.033146      4.854613      5.324382
  H      -0.462077      2.922342      7.090678
  H      -0.465728      2.532024      5.347700
  H      -4.835943      2.783344      8.335941
  H      -3.991834      3.935677      7.296616
  H      -3.167737      1.105894      8.111027
  H      -2.247153      2.600234      8.372250
  C      -3.908989      5.155794     -1.042959
  C      -3.939884      4.240518      0.144952
  O      -3.090799      4.355354      1.045253
  C      -4.988080      3.191554      0.216846
  C      -6.065876      3.128935     -0.682537
  C      -7.013823      2.117607     -0.568710
  C      -6.877730      1.157063      0.429388
  F      -7.801949      0.190126      0.490584
  C      -5.827811      1.196097      1.369930
  C      -5.649346      0.145249      2.405688
  O      -6.145820     -0.970113      2.326970
  N      -4.810342      0.475257      3.499141
  C      -4.299236     -0.520972      4.220845
  C      -4.909831      2.233902      1.231841
  C      -7.107944      9.628996     -1.452570
  C      -6.634723      8.351448     -0.804820
  O      -6.604006      7.292805     -1.431897
  C      -6.186335      8.394966      0.620932
  C      -5.958855      9.593738      1.319519
  C      -5.489477      9.567845      2.629692
  C      -5.237398      8.341878      3.240612
  F      -4.801047      8.357237      4.514501
  C      -5.462588      7.121750      2.582355
  C      -5.195150      5.762062      3.134531
  O      -5.825835      4.789369      2.714835
  N      -4.134435      5.681084      4.042121
  C      -3.794123      4.465170      4.352872
  C      -5.957867      7.183195      1.277593
  C     -13.242011     -1.711633      3.773443
  C     -12.152173     -1.239164      4.708713
  O     -12.084632     -1.650449      5.862977
  C     -11.148608     -0.255523      4.192213
  C     -11.071131      0.104131      2.835919
  C     -10.109898      1.010491      2.399931
  C      -9.218613      1.547262      3.323642
  F      -8.319708      2.452794      2.877748
  C      -9.262252      1.221647      4.685677
  C      -8.360925      1.801007      5.731302
  O      -8.829548      2.101740      6.829625
  N      -7.002833      1.886431      5.364698
  C      -6.228708      2.230199      6.358091
  C     -10.253266      0.324614      5.097588
  H      -4.797000      5.811715     -1.057903
  H      -3.005696      5.773553     -1.009686
  H      -3.931265      4.567856     -1.973126
  H      -6.179643      3.877605     -1.467524
  H      -7.864116      2.053994     -1.247836
  H      -4.482838     -1.585759      4.026091
  H      -4.089426      2.299980      1.935263
  H      -7.896818     10.108550     -0.854024
  H      -6.276573     10.348498     -1.524147
  H      -7.481103      9.411009     -2.458716
  H      -6.139223     10.557024      0.841204
  H      -5.313586     10.485411      3.191776
  H      -4.538101      3.646334      3.894884
  H      -6.168715      6.249516      0.756664
  H     -13.950133     -2.333296      4.331559
  H     -12.808910     -2.307515      2.953948
  H     -13.769239     -0.863232      3.312439
  H     -11.761999     -0.323800      2.109060
  H     -10.043929      1.311297      1.354776
  H      -6.668897      2.458929      7.345894
  H     -10.326421      0.063807      6.154199
  N      -2.365042      1.964956      3.318526
  N      -1.678526      2.457375      2.358301
  H      -2.058104      3.305720      1.871703
  H      -0.911481      1.914847      1.957523
90
Coordinates from ORCA-job orca E -6724.611675543935
  N      -3.495287     -0.039224      5.207505
  Mo     -3.531337      1.922729      4.666914
  N      -4.871540      2.331297      6.242657
  C      -4.195589      2.885092      7.415642
  C      -2.918440      2.096224      7.674758
  N      -2.139507      1.825063      6.403253
  C      -1.546380      0.438710      6.423429
  C      -2.668989     -0.581801      6.256606
  C      -1.067873      2.862849      6.200928
  C      -1.720230      4.204222      5.860969
  N      -2.846843      3.854988      5.030076
  H      -2.278461     -1.584071      6.026332
  H      -3.265125     -0.664678      7.181604
  H      -0.862482      0.384177      5.566832
  H      -0.977200      0.283553      7.352338
  H      -2.051241      4.751506      6.757635
  H      -1.011029      4.851144      5.321065
  H      -0.442894      2.927994      7.104512
  H      -0.444483      2.524049      5.364394
  H      -4.839823      2.812099      8.306133
  H      -3.982638      3.954095      7.266588
  H      -3.180832      1.127355      8.114003
  H      -2.257799      2.619824      8.380964
  C      -3.997958      5.207359     -0.978315
  C      -3.972908      4.270770      0.193613
  O      -3.095715      4.399283      1.065259
  C      -4.996091      3.197860      0.274594
  C      -6.074741      3.125862     -0.623250
  C      -7.011047      2.104473     -0.514562
  C      -6.865844      1.143227      0.481255
  F      -7.781748      0.169390      0.538667
  C      -5.816906      1.189788      1.423407
  C      -5.643314      0.131930      2.456426
  O      -6.151950     -0.977153      2.376592
  N      -4.796358      0.452039      3.543570
  C      -4.303139     -0.538050      4.285143
  C      -4.905288      2.235186      1.285424
  C      -7.248903      9.581304     -1.419415
  C      -6.769622      8.303079     -0.777723
  O      -6.800491      7.233912     -1.385281
  C      -6.239340      8.360494      0.619538
  C      -5.947514      9.565169      1.282751
  C      -5.405268      9.550239      2.564193
  C      -5.145007      8.329672      3.181874
  F      -4.636571      8.356940      4.428327
  C      -5.432517      7.104280      2.559930
  C      -5.165169      5.747935      3.119697
  O      -5.844444      4.785083      2.754948
  N      -4.088498      5.664500      4.011223
  C      -3.759501      4.445896      4.329489
  C      -5.998773      7.154990      1.283326
  C     -13.240328     -1.657694      3.670916
  C     -12.150609     -1.207576      4.617232
  O     -12.085102     -1.644220      5.761792
  C     -11.144297     -0.215655      4.123339
  C     -11.074722      0.184977      2.778275
  C     -10.108216      1.094452      2.362333
  C      -9.203329      1.592453      3.294653
  F      -8.289246      2.491891      2.865505
  C      -9.243854      1.231781      4.647650
  C      -8.338002      1.781736      5.704944
  O      -8.805731      2.065812      6.807802
  N      -6.981988      1.875520      5.340211
  C      -6.213041      2.240822      6.329668
  C     -10.239546      0.331144      5.039275
  H      -4.910886      5.827918     -0.968288
  H      -3.119058      5.858979     -0.946780
  H      -4.010952      4.637995     -1.920147
  H      -6.198356      3.876528     -1.404091
  H      -7.860530      2.034877     -1.193621
  H      -4.521427     -1.601671      4.121665
  H      -4.084389      2.304307      1.988362
  H      -7.991319     10.087847     -0.785251
  H      -6.405909     10.278421     -1.548532
  H      -7.683088      9.357876     -2.399310
  H      -6.134977     10.524367      0.799583
  H      -5.179064     10.472838      3.098903
  H      -4.493577      3.632327      3.875081
  H      -6.258775      6.216993      0.793239
  H     -13.948405     -2.293171      4.212790
  H     -12.806337     -2.232663      2.837444
  H     -13.768071     -0.798357      3.231861
  H     -11.774786     -0.213728      2.044184
  H     -10.045608      1.425342      1.326562
  H      -6.658962      2.483748      7.311511
  H     -10.309373      0.041757      6.088427
  N      -2.305673      1.904580      3.333248
  N      -1.602380      2.369787      2.369396
  H      -1.979050      3.189978      1.831777
  H      -0.843383      1.803788      1.985159
90
Coordinates from ORCA-job orca E -6692.615948842838
  N      -3.471780     -0.028355      5.227111
  Mo     -3.517118      1.926245      4.668353
  N      -4.870959      2.339319      6.231884
  C      -4.198927      2.897037      7.406853
  C      -2.919061      2.113183      7.670296
  N      -2.130711      1.847674      6.404756
  C      -1.523235      0.468891      6.433593
  C      -2.632521     -0.567567      6.267943
  C      -1.068494      2.895265      6.202243
  C      -1.733294      4.229619      5.861023
  N      -2.857611      3.868756      5.030672
  H      -2.221601     -1.557623      6.020070
  H      -3.218937     -0.675986      7.196166
  H      -0.836759      0.418484      5.578861
  H      -0.953828      0.323804      7.363992
  H      -2.070177      4.772205      6.758341
  H      -1.030751      4.884781      5.322835
  H      -0.442598      2.963622      7.104828
  H      -0.445172      2.560849      5.363939
  H      -4.844469      2.819542      8.295672
  H      -3.991522      3.967409      7.259837
  H      -3.179994      1.140924      8.103325
  H      -2.264335      2.636568      8.382428
  C      -3.972286      5.105733     -1.049745
  C      -3.931475      4.163996      0.117159
  O      -3.037703      4.287507      0.971716
  C      -4.963378      3.103598      0.223725
  C      -6.045306      3.019668     -0.669865
  C      -6.990368      2.009342     -0.534360
  C      -6.855050      1.075366      0.488908
  F      -7.777474      0.109986      0.570363
  C      -5.805909      1.139900      1.430142
  C      -5.642355      0.111707      2.492298
  O      -6.177843     -0.987013      2.455690
  N      -4.779555      0.450512      3.561377
  C      -4.306437     -0.529848      4.331048
  C      -4.881743      2.168095      1.259209
  C      -7.270575      9.667231     -1.365893
  C      -6.793133      8.378607     -0.744413
  O      -6.832946      7.317797     -1.365850
  C      -6.253427      8.415361      0.649541
  C      -5.954605      9.610511      1.326811
  C      -5.404621      9.577218      2.604232
  C      -5.142786      8.347782      3.203479
  F      -4.626667      8.357758      4.447030
  C      -5.436228      7.131289      2.567073
  C      -5.169453      5.767052      3.107472
  O      -5.832534      4.804913      2.711477
  N      -4.096770      5.677422      4.005237
  C      -3.767338      4.457537      4.323618
  C      -6.011208      7.200635      1.295105
  C     -13.261116     -1.642945      3.632890
  C     -12.167013     -1.215594      4.584823
  O     -12.095741     -1.682372      5.717218
  C     -11.163462     -0.210849      4.111698
  C     -11.110462      0.235071      2.780202
  C     -10.144340      1.152246      2.381304
  C      -9.222371      1.611393      3.316739
  F      -8.301074      2.511054      2.903033
  C      -9.250567      1.210832      4.658621
  C      -8.335309      1.732427      5.722220
  O      -8.794178      1.982213      6.837317
  N      -6.983349      1.851686      5.344147
  C      -6.211184      2.233343      6.326503
  C     -10.245479      0.302605      5.033539
  H      -4.886783      5.723394     -1.032437
  H      -3.094568      5.759029     -1.022537
  H      -3.990178      4.541472     -1.992564
  H      -6.162851      3.749953     -1.470144
  H      -7.839471      1.927823     -1.212357
  H      -4.554671     -1.591208      4.200938
  H      -4.054259      2.243005      1.954898
  H      -8.007371     10.167669     -0.720737
  H      -6.425773     10.362776     -1.489733
  H      -7.710883      9.459150     -2.346271
  H      -6.143505     10.576471      0.858317
  H      -5.173464     10.491930      3.150058
  H      -4.495366      3.645433      3.867412
  H      -6.277876      6.269936      0.795937
  H     -13.962867     -2.296542      4.160929
  H     -12.830680     -2.191414      2.780287
  H     -13.795718     -0.773959      3.222514
  H     -11.823275     -0.134458      2.043309
  H     -10.093051      1.517623      1.356395
  H      -6.651999      2.477007      7.309824
  H     -10.305024     -0.018952      6.073803
  N      -2.300024      1.906829      3.339140
  N      -1.604304      2.377610      2.370080
  H      -1.999095      3.182833      1.822211
  H      -0.851268      1.809928      1.975468
90
Coordinates from ORCA-job orca E -6724.610182890091
  N      -3.455614      0.018019      5.226897
  Mo     -3.523862      1.967386      4.655722
  N      -4.896465      2.366472      6.212918
  C      -4.233510      2.926122      7.395674
  C      -2.946491      2.154521      7.665787
  N      -2.139391      1.903845      6.400877
  C      -1.507952      0.528336      6.433106
  C      -2.607380     -0.519545      6.260356
  C      -1.088520      2.972921      6.203658
  C      -1.774052      4.294219      5.864551
  N      -2.894075      3.922087      5.030356
  H      -2.176266     -1.496314      5.991047
  H      -3.184257     -0.655508      7.189683
  H      -0.817066      0.489136      5.582136
  H      -0.940103      0.394997      7.365764
  H      -2.120335      4.826820      6.764061
  H      -1.078520      4.961360      5.332095
  H      -0.466560      3.041477      7.108070
  H      -0.463699      2.645785      5.364110
  H      -4.880696      2.835229      8.281496
  H      -4.037213      4.000358      7.257661
  H      -3.197376      1.173568      8.084804
  H      -2.299039      2.677684      8.384573
  C      -3.905131      4.822055     -1.265706
  C      -3.896213      3.902773     -0.080720
  O      -3.020877      4.024772      0.790233
  C      -4.944016      2.867114      0.053672
  C      -6.019549      2.734658     -0.843368
  C      -6.969683      1.736679     -0.650734
  C      -6.850299      0.872985      0.435806
  F      -7.774171     -0.085723      0.571115
  C      -5.809671      0.998881      1.379284
  C      -5.647256      0.057619      2.511826
  O      -6.196270     -1.034774      2.567994
  N      -4.767588      0.466555      3.544752
  C      -4.312609     -0.490971      4.359611
  C      -4.877824      2.001854      1.144723
  C      -7.140348      9.982045     -1.245721
  C      -6.673031      8.664591     -0.681426
  O      -6.677379      7.641418     -1.365397
  C      -6.187834      8.623947      0.730990
  C      -5.931500      9.781565      1.486719
  C      -5.433240      9.680948      2.780988
  C      -5.178857      8.421282      3.318272
  F      -4.714692      8.366676      4.581276
  C      -5.428891      7.239573      2.601174
  C      -5.166975      5.850262      3.077365
  O      -5.762236      4.895508      2.571855
  N      -4.125608      5.737467      4.008785
  C      -3.795991      4.513749      4.320203
  C      -5.955039      7.376781      1.313954
  C     -13.297894     -1.710507      3.693668
  C     -12.198694     -1.278880      4.637927
  O     -12.117969     -1.748625      5.769163
  C     -11.202005     -0.268756      4.159240
  C     -11.167701      0.188099      2.831186
  C     -10.205961      1.106528      2.424956
  C      -9.268809      1.555684      3.349562
  F      -8.341607      2.445337      2.926267
  C      -9.283511      1.150355      4.690161
  C      -8.359660      1.675444      5.745288
  O      -8.807796      1.906395      6.869874
  N      -7.011683      1.824100      5.345694
  C      -6.233878      2.235711      6.316647
  C     -10.272264      0.239424      5.072330
  H      -4.811818      5.449702     -1.288683
  H      -3.019571      5.464527     -1.230049
  H      -3.906940      4.242218     -2.194387
  H      -6.126672      3.411606     -1.689873
  H      -7.811319      1.611348     -1.331372
  H      -4.582767     -1.551032      4.275057
  H      -4.047481      2.112176      1.834918
  H      -7.907648     10.437188     -0.603076
  H      -6.301032     10.692693     -1.295908
  H      -7.539170      9.826283     -2.252979
  H      -6.115183     10.770441      1.067236
  H      -5.236862     10.564716      3.387923
  H      -4.522590      3.705568      3.850785
  H      -6.191799      6.474273      0.754662
  H     -13.989245     -2.370651      4.226843
  H     -12.872828     -2.252125      2.834686
  H     -13.843609     -0.845093      3.291324
  H     -11.892118     -0.175187      2.102561
  H     -10.167426      1.479436      1.401668
  H      -6.664026      2.477413      7.303491
  H     -10.319794     -0.087763      6.111382
  N      -2.331260      1.968388      3.330732
  N      -1.656428      2.462771      2.356120
  H      -2.082850      3.259382      1.825723
  H      -0.901905      1.910909      1.938929
90
Coordinates from ORCA-job orca E -6724.614842860128
  N      -3.442472     -0.000381      5.257355
  Mo     -3.496831      1.944620      4.675094
  N      -4.871664      2.362564      6.223964
  C      -4.204756      2.919666      7.405310
  C      -2.924494      2.139356      7.678674
  N      -2.115875      1.884250      6.418525
  C      -1.489573      0.509527      6.455498
  C      -2.586012     -0.542284      6.283172
  C      -1.061757      2.947762      6.218530
  C      -1.742779      4.271471      5.875582
  N      -2.864501      3.897133      5.045960
  H      -2.149065     -1.512452      6.001158
  H      -3.156556     -0.692001      7.214587
  H      -0.797590      0.466357      5.605237
  H      -0.923629      0.375972      7.389351
  H      -2.087062      4.807170      6.774237
  H      -1.047665      4.936932      5.340497
  H      -0.437159      3.016504      7.121344
  H      -0.439785      2.617280      5.377832
  H      -4.853225      2.834955      8.291122
  H      -4.001533      3.991787      7.264934
  H      -3.186250      1.160355      8.095948
  H      -2.278445      2.657504      8.402375
  C      -4.062836      4.934789     -1.193468
  C      -3.990611      4.012763     -0.012496
  O      -3.054720      4.128627      0.794502
  C      -5.031383      2.971441      0.162668
  C      -6.132453      2.854664     -0.704551
  C      -7.083623      1.861865     -0.500066
  C      -6.940793      0.982872      0.570142
  F      -7.869759      0.031547      0.716489
  C      -5.873840      1.085761      1.487645
  C      -5.703229      0.114567      2.599648
  O      -6.270857     -0.968329      2.640527
  N      -4.781911      0.473026      3.612425
  C      -4.322631     -0.498701      4.406289
  C      -4.939020      2.089054      1.242699
  C      -7.202437      9.790111     -1.317012
  C      -6.744665      8.490557     -0.703610
  O      -6.796641      7.434936     -1.332898
  C      -6.208273      8.509281      0.692068
  C      -5.897843      9.695301      1.380194
  C      -5.351674      9.644910      2.658528
  C      -5.103945      8.407368      3.247776
  F      -4.593089      8.404943      4.493860
  C      -5.408855      7.198742      2.599480
  C      -5.161969      5.825269      3.127186
  O      -5.800154      4.868173      2.682726
  N      -4.089227      5.716572      4.021763
  C      -3.765767      4.491663      4.332241
  C      -5.981292      7.286907      1.327225
  C     -13.197236     -1.704622      3.511897
  C     -12.106775     -1.297544      4.476883
  O     -12.010622     -1.825074      5.580803
  C     -11.137183     -0.238487      4.052133
  C     -11.124926      0.299000      2.754036
  C     -10.186898      1.261848      2.397885
  C      -9.249969      1.673218      3.340542
  F      -8.351108      2.611611      2.964700
  C      -9.243014      1.186228      4.654105
  C      -8.324343      1.666701      5.734692
  O      -8.767718      1.809247      6.875486
  N      -6.979073      1.832578      5.347419
  C      -6.208402      2.234956      6.325018
  C     -10.210466      0.233649      4.987343
  H      -4.978242      5.548589     -1.173675
  H      -3.186095      5.590004     -1.194590
  H      -4.094841      4.355718     -2.124872
  H      -6.257993      3.542379     -1.540262
  H      -7.943931      1.751376     -1.159706
  H      -4.623053     -1.551741      4.330577
  H      -4.088336      2.181822      1.909418
  H      -7.936154     10.294356     -0.671340
  H      -6.349101     10.476578     -1.431756
  H      -7.640731      9.594976     -2.300908
  H      -6.075003     10.667313      0.919904
  H      -5.112159     10.552219      3.213132
  H      -4.490237      3.688344      3.867412
  H      -6.255504      6.363135      0.820019
  H     -13.868392     -2.413667      4.007109
  H     -12.759763     -2.183660      2.622107
  H     -13.768328     -0.832392      3.162159
  H     -11.849014     -0.033113      2.010240
  H     -10.167647      1.699821      1.400338
  H      -6.646779      2.478924      7.308597
  H     -10.241748     -0.156918      6.005021
  N      -2.284577      1.920774      3.348557
  N      -1.592356      2.382024      2.371537
  H      -2.015401      3.149885      1.795344
  H      -0.857709      1.795975      1.967031
90
Coordinates from ORCA-job orca E -6724.615828208591
  N      -3.350263     -0.045467      5.297372
  Mo     -3.425083      1.890319      4.683654
  N      -4.806415      2.320885      6.222373
  C      -4.142960      2.898475      7.395007
  C      -2.856924      2.132482      7.677340
  N      -2.044254      1.872008      6.423282
  C      -1.402434      0.508944      6.481429
  C      -2.478909     -0.565775      6.321988
  C      -1.004286      2.943756      6.206982
  C      -1.700836      4.255964      5.846648
  N      -2.820125      3.854421      5.027663
  H      -2.020864     -1.525354      6.038544
  H      -3.041827     -0.727232      7.256236
  H      -0.707680      0.463072      5.633266
  H      -0.837474      0.396447      7.418687
  H      -2.049417      4.800698      6.738448
  H      -1.016639      4.922784      5.299331
  H      -0.377820      3.032584      7.107032
  H      -0.380333      2.609541      5.368824
  H      -4.790252      2.820232      8.282737
  H      -3.949249      3.969722      7.240000
  H      -3.113077      1.155978      8.103910
  H      -2.218578      2.663233      8.398823
  C      -4.077119      5.074374     -0.954350
  C      -3.941840      4.088431      0.172340
  O      -2.969201      4.172992      0.941810
  C      -4.981370      3.040004      0.335967
  C      -6.088822      2.958384     -0.525863
  C      -7.040862      1.961284     -0.355703
  C      -6.895900      1.042335      0.679266
  F      -7.826426      0.089012      0.790564
  C      -5.825677      1.107875      1.597280
  C      -5.665199      0.099755      2.681224
  O      -6.241326     -0.978006      2.694248
  N      -4.717174      0.415326      3.681696
  C      -4.239269     -0.557411      4.460536
  C      -4.885320      2.116771      1.383323
  C      -7.535253      9.476112     -1.342873
  C      -7.014756      8.208130     -0.712241
  O      -7.076744      7.130482     -1.300748
  C      -6.402828      8.287637      0.650994
  C      -6.083929      9.502268      1.282766
  C      -5.463881      9.506035      2.528489
  C      -5.153088      8.294865      3.142034
  F      -4.570217      8.345154      4.354914
  C      -5.465228      7.059584      2.551223
  C      -5.152291      5.707651      3.099248
  O      -5.828958      4.733070      2.761326
  N      -4.063007      5.646598      3.978550
  C      -3.728874      4.429952      4.303886
  C      -6.110274      7.092849      1.311131
  C     -13.273315     -1.354076      3.250172
  C     -12.166619     -1.081197      4.243287
  O     -12.097660     -1.701836      5.299183
  C     -11.147904     -0.037667      3.906820
  C     -11.114692      0.614589      2.662471
  C     -10.131072      1.558241      2.387129
  C      -9.171081      1.835623      3.355428
  F      -8.224317      2.754363      3.055957
  C      -9.183253      1.232229      4.619561
  C      -8.241593      1.572010      5.732292
  O      -8.676713      1.653479      6.881654
  N      -6.904069      1.770330      5.345725
  C      -6.141082      2.177609      6.324369
  C     -10.195422      0.301732      4.873152
  H      -5.000760      5.668978     -0.859334
  H      -3.212630      5.745422     -0.953241
  H      -4.139445      4.549631     -1.922661
  H      -6.216222      3.676736     -1.335639
  H      -7.903643      1.877326     -1.016000
  H      -4.545046     -1.609804      4.396637
  H      -4.032368      2.183070      2.049382
  H      -8.245086      9.986212     -0.675065
  H      -6.705078     10.176269     -1.526474
  H      -8.021268      9.238010     -2.294556
  H      -6.310391     10.454646      0.802886
  H      -5.214549     10.436379      3.038853
  H      -4.442027      3.615925      3.852698
  H      -6.384377      6.145709      0.846946
  H     -13.976232     -2.072907      3.683769
  H     -12.856407     -1.772990      2.320641
  H     -13.804628     -0.429709      2.979691
  H     -11.857709      0.388342      1.897841
  H     -10.093108      2.083166      1.433068
  H      -6.587420      2.427395      7.303842
  H     -10.242382     -0.176636      5.851988
  N      -2.210325      1.852626      3.351659
  N      -1.517225      2.285769      2.361609
  H      -1.941718      3.033182      1.759516
  H      -0.793635      1.681354      1.966734
90
Coordinates from ORCA-job orca E -6724.617588359230
  N      -3.322975     -0.030643      5.316844
  Mo     -3.414766      1.904945      4.704016
  N      -4.790618      2.324410      6.250948
  C      -4.121281      2.896803      7.423305
  C      -2.828646      2.135240      7.690822
  N      -2.019418      1.890055      6.431187
  C      -1.363694      0.533870      6.481845
  C      -2.431036     -0.550885      6.323744
  C      -0.989671      2.970684      6.212920
  C      -1.696938      4.278512      5.861727
  N      -2.821322      3.872270      5.051653
  H      -1.963886     -1.499412      6.017961
  H      -2.976710     -0.733935      7.263813
  H      -0.671089      0.496270      5.631563
  H      -0.794056      0.425198      7.416821
  H      -2.041244      4.818444      6.758083
  H      -1.021693      4.950904      5.310277
  H      -0.357669      3.059289      7.109128
  H      -0.369859      2.643649      5.368825
  H      -4.760885      2.808861      8.315609
  H      -3.934370      3.970297      7.274681
  H      -3.077667      1.152695      8.107772
  H      -2.188929      2.661278      8.414782
  C      -4.229480      5.004574     -0.995480
  C      -4.052246      4.017222      0.123705
  O      -3.047111      4.094437      0.850922
  C      -5.091520      2.977385      0.335505
  C      -6.228578      2.887035     -0.486473
  C      -7.178318      1.897320     -0.266368
  C      -7.003059      0.996485      0.780211
  F      -7.934629      0.051246      0.941935
  C      -5.901331      1.072403      1.659061
  C      -5.709055      0.087470      2.758780
  O      -6.309857     -0.974383      2.830251
  N      -4.724746      0.415877      3.720053
  C      -4.242925     -0.544126      4.513696
  C      -4.963305      2.070626      1.393336
  C      -7.468066      9.471873     -1.367048
  C      -6.965899      8.207349     -0.715155
  O      -7.036336      7.122040     -1.288904
  C      -6.363746      8.298339      0.651798
  C      -6.034296      9.517393      1.269683
  C      -5.424244      9.530070      2.520324
  C      -5.133950      8.323383      3.152909
  F      -4.559290      8.383517      4.369235
  C      -5.457485      7.084094      2.576273
  C      -5.166966      5.735358      3.144380
  O      -5.832985      4.759981      2.786919
  N      -4.071496      5.667815      4.016212
  C      -3.733725      4.449248      4.334093
  C      -6.091614      7.109198      1.330313
  C     -13.184959     -1.344307      3.075219
  C     -12.090850     -1.107295      4.091332
  O     -12.015489     -1.788092      5.109289
  C     -11.091936     -0.024580      3.824685
  C     -11.072333      0.709495      2.626292
  C     -10.106617      1.687625      2.414143
  C      -9.150841      1.917666      3.398669
  F      -8.219063      2.867998      3.159406
  C      -9.150523      1.232153      4.620223
  C      -8.213019      1.519124      5.751600
  O      -8.633960      1.471008      6.908544
  N      -6.880424      1.757830      5.373457
  C      -6.122520      2.164409      6.357374
  C     -10.144329      0.267571      4.811412
  H      -5.155502      5.589875     -0.874040
  H      -3.370357      5.682354     -1.018424
  H      -4.314293      4.481204     -1.961374
  H      -6.381207      3.592250     -1.303318
  H      -8.063273      1.805378     -0.895726
  H      -4.564093     -1.593331      4.480872
  H      -4.084454      2.140933      2.024542
  H      -8.177855      9.998359     -0.711945
  H      -6.629732     10.161344     -1.554103
  H      -7.949287      9.225409     -2.319098
  H      -6.244604     10.466010      0.775092
  H      -5.166598     10.463998      3.020088
  H      -4.449588      3.637025      3.883898
  H      -6.373719      6.159385      0.876858
  H     -13.871997     -2.105952      3.458413
  H     -12.753114     -1.693361      2.123917
  H     -13.738025     -0.418186      2.859743
  H     -11.812475      0.520818      1.848672
  H     -10.079206      2.276044      1.497080
  H      -6.569467      2.400949      7.339585
  H     -10.180822     -0.275724      5.756299
  N      -2.218841      1.874466      3.356434
  N      -1.539302      2.303784      2.355513
  H      -1.989150      3.036217      1.749572
  H      -0.834495      1.686873      1.943908
90
Coordinates from ORCA-job orca E -6724.618834122606
  N      -3.254903     -0.014688      5.356933
  Mo     -3.392705      1.914421      4.733020
  N      -4.755513      2.315271      6.295908
  C      -4.083836      2.901307      7.459962
  C      -2.773689      2.162322      7.710313
  N      -1.971930      1.929922      6.441395
  C      -1.287927      0.587611      6.492909
  C      -2.337064     -0.517413      6.348544
  C      -0.963502      3.026671      6.206141
  C      -1.693573      4.319814      5.854717
  N      -2.823524      3.892343      5.062820
  H      -1.854837     -1.454092      6.028562
  H      -2.861524     -0.716307      7.296896
  H      -0.599745      0.558381      5.638950
  H      -0.709514      0.496815      7.424445
  H      -2.033587      4.861656      6.751508
  H      -1.035156      4.996452      5.288458
  H      -0.324076      3.129711      7.095385
  H      -0.347531      2.703346      5.357857
  H      -4.709377      2.803191      8.361053
  H      -3.917937      3.978218      7.307557
  H      -3.000764      1.174588      8.127288
  H      -2.133255      2.697016      8.427481
  C      -4.346748      4.832471     -1.043930
  C      -4.165644      3.887968      0.109098
  O      -3.160741      3.990249      0.830485
  C      -5.186935      2.837768      0.351258
  C      -6.322846      2.690655     -0.464741
  C      -7.246566      1.684845     -0.206559
  C      -7.046727      0.825427      0.870964
  F      -7.949520     -0.141746      1.065905
  C      -5.945430      0.961478      1.742273
  C      -5.716748      0.024433      2.873087
  O      -6.290905     -1.048002      2.992581
  N      -4.700296      0.391773      3.787311
  C      -4.191772     -0.548055      4.588412
  C      -5.034098      1.971923      1.438211
  C      -7.566632      9.465066     -1.309379
  C      -7.069458      8.201069     -0.653548
  O      -7.179695      7.108834     -1.208491
  C      -6.424783      8.298590      0.692838
  C      -6.049782      9.518821      1.281932
  C      -5.405477      9.535796      2.515001
  C      -5.125120      8.331914      3.157844
  F      -4.515397      8.397473      4.356635
  C      -5.491381      7.091725      2.608723
  C      -5.216079      5.745582      3.190286
  O      -5.888649      4.772840      2.838611
  N      -4.100295      5.673848      4.036677
  C      -3.747587      4.457858      4.354025
  C      -6.160353      7.113906      1.381395
  C     -13.135769     -1.117400      2.782295
  C     -12.053746     -0.994059      3.830916
  O     -12.000173     -1.772449      4.778110
  C     -11.038247      0.096734      3.683139
  C     -11.000825      0.949057      2.566015
  C     -10.020504      1.930013      2.458959
  C      -9.070016      2.045704      3.467733
  F      -8.119678      2.995685      3.329839
  C      -9.087811      1.240331      4.613834
  C      -8.150657      1.407857      5.769702
  O      -8.553612      1.197644      6.915376
  N      -6.825975      1.708491      5.413542
  C      -6.082329      2.122737      6.406546
  C     -10.093222      0.273044      4.699956
  H      -5.287130      5.399005     -0.959985
  H      -3.500942      5.526611     -1.078233
  H      -4.403260      4.273892     -1.988422
  H      -6.494338      3.361662     -1.306015
  H      -8.128887      1.546047     -0.831020
  H      -4.504903     -1.600226      4.588628
  H      -4.152423      2.083980      2.060680
  H      -8.246046     10.014969     -0.641590
  H      -6.722827     10.136418     -1.533438
  H      -8.081522      9.213011     -2.242108
  H      -6.252471     10.464422      0.778639
  H      -5.112740     10.470576      2.993369
  H      -4.466360      3.637107      3.913815
  H      -6.480945      6.165346      0.953607
  H     -13.832716     -1.908453      3.077921
  H     -12.694511     -1.370296      1.805573
  H     -13.679999     -0.169938      2.655893
  H     -11.737927      0.849273      1.769239
  H      -9.976142      2.607265      1.605354
  H      -6.533238      2.344108      7.389928
  H     -10.142422     -0.363594      5.584014
  N      -2.232376      1.889018      3.364831
  N      -1.572995      2.292508      2.338884
  H      -2.039997      3.010752      1.728020
  H      -0.882181      1.660843      1.924049
90
Coordinates from ORCA-job orca E -6724.620267877802
  N      -3.199152     -0.003788      5.359422
  Mo     -3.365935      1.924718      4.733128
  N      -4.750782      2.298835      6.286177
  C      -4.100473      2.893831      7.455645
  C      -2.780813      2.174480      7.714899
  N      -1.960291      1.957920      6.455494
  C      -1.253464      0.629464      6.516874
  C      -2.280320     -0.494317      6.355225
  C      -0.966248      3.067802      6.235132
  C      -1.706805      4.350569      5.873752
  N      -2.822332      3.909182      5.069242
  H      -1.778271     -1.418863      6.030247
  H      -2.807853     -0.710837      7.297973
  H      -0.549041      0.611545      5.675920
  H      -0.689718      0.550443      7.458529
  H      -2.063715      4.890987      6.764908
  H      -1.049697      5.032290      5.312036
  H      -0.341724      3.180208      7.134024
  H      -0.332217      2.753317      5.396672
  H      -4.730703      2.783097      8.352286
  H      -3.951323      3.973999      7.305737
  H      -2.998892      1.181871      8.124993
  H      -2.155132      2.714110      8.441593
  C      -4.434290      4.794164     -1.046906
  C      -4.221243      3.843316      0.096225
  O      -3.184907      3.916172      0.775994
  C      -5.255086      2.815462      0.382481
  C      -6.427181      2.685174     -0.383737
  C      -7.354305      1.693699     -0.083445
  C      -7.122724      0.832794      0.987035
  F      -8.029956     -0.121562      1.222208
  C      -5.983493      0.954547      1.809836
  C      -5.717947      0.024939      2.937381
  O      -6.310481     -1.030973      3.104485
  N      -4.658877      0.388667      3.804184
  C      -4.136083     -0.547358      4.598072
  C      -5.070105      1.950390      1.464747
  C      -7.515742      9.476179     -1.349553
  C      -7.019333      8.213558     -0.690825
  O      -7.123235      7.120928     -1.247372
  C      -6.382700      8.311582      0.659467
  C      -6.009957      9.531584      1.250764
  C      -5.373574      9.547694      2.488162
  C      -5.099112      8.343452      3.133546
  F      -4.496124      8.409877      4.335650
  C      -5.463411      7.103159      2.581811
  C      -5.191034      5.755468      3.162996
  O      -5.862518      4.783734      2.808099
  N      -4.091798      5.683653      4.027270
  C      -3.738111      4.468739      4.347759
  C      -6.124227      7.126865      1.350275
  C     -13.138625     -1.083199      2.682696
  C     -12.032686     -1.032691      3.712220
  O     -11.945891     -1.886190      4.589809
  C     -11.034672      0.082028      3.631916
  C     -11.042490      1.030599      2.594967
  C     -10.077522      2.031652      2.546474
  C      -9.098242      2.072580      3.533511
  F      -8.164430      3.041980      3.448764
  C      -9.069508      1.166548      4.603086
  C      -8.093115      1.239096      5.738442
  O      -8.434527      0.874818      6.865694
  N      -6.797038      1.631643      5.383409
  C      -6.072818      2.067106      6.381113
  C     -10.059378      0.180246      4.631132
  H      -5.369201      5.364272     -0.931329
  H      -3.585461      5.483055     -1.107462
  H      -4.524968      4.239167     -1.992381
  H      -6.623016      3.356941     -1.219513
  H      -8.264051      1.565983     -0.670164
  H      -4.449193     -1.599488      4.611856
  H      -4.160045      2.051294      2.047531
  H      -8.201709     10.023700     -0.686133
  H      -6.673612     10.151568     -1.568861
  H      -8.023930      9.222053     -2.285639
  H      -6.207871     10.477345      0.745281
  H      -5.081855     10.482158      2.968275
  H      -4.451007      3.643879      3.895905
  H      -6.442893      6.178569      0.920280
  H     -13.814472     -1.910371      2.924137
  H     -12.718576     -1.239722      1.676728
  H     -13.701969     -0.138565      2.654537
  H     -11.803244      0.990391      1.814979
  H     -10.066162      2.781835      1.754801
  H      -6.537314      2.265451      7.363205
  H     -10.071316     -0.535254      5.454286
  N      -2.205386      1.911007      3.361636
  N      -1.545005      2.292789      2.329534
  H      -2.025311      2.991860      1.707455
  H      -0.862033      1.645862      1.923911
90
Coordinates from ORCA-job orca E -6724.621299985119
  N      -3.152234     -0.009393      5.373805
  Mo     -3.339711      1.916512      4.735550
  N      -4.741238      2.283425      6.272077
  C      -4.106784      2.890463      7.442268
  C      -2.781524      2.185300      7.714166
  N      -1.945738      1.972988      6.465527
  C      -1.225036      0.655382      6.541581
  C      -2.229574     -0.486988      6.373343
  C      -0.961265      3.090748      6.250085
  C      -1.711136      4.365123      5.875247
  N      -2.815424      3.905655      5.065367
  H      -1.706515     -1.398742      6.046052
  H      -2.757275     -0.720163      7.312628
  H      -0.509737      0.642943      5.709706
  H      -0.672169      0.586661      7.490484
  H      -2.081294      4.907513      6.759785
  H      -1.057521      5.050552      5.313991
  H      -0.345536      3.214514      7.153868
  H      -0.315722      2.779908      5.419162
  H      -4.741316      2.774745      8.335625
  H      -3.969709      3.971806      7.289033
  H      -2.997587      1.191678      8.123363
  H      -2.169663      2.730836      8.448231
  C      -4.438783      4.806948     -0.975787
  C      -4.202766      3.836633      0.145909
  O      -3.141604      3.884983      0.788193
  C      -5.254781      2.833205      0.461487
  C      -6.458503      2.750458     -0.261032
  C      -7.405709      1.784244      0.059093
  C      -7.162543      0.898636      1.106657
  F      -8.090418     -0.029628      1.360868
  C      -5.988604      0.970643      1.885792
  C      -5.711189      0.015806      2.989855
  O      -6.331993     -1.020548      3.174391
  N      -4.620723      0.355466      3.824106
  C      -4.096894     -0.567084      4.629097
  C      -5.056749      1.945047      1.522638
  C      -7.605808      9.406896     -1.358799
  C      -7.102084      8.149429     -0.695618
  O      -7.242793      7.048164     -1.225761
  C      -6.417570      8.264449      0.630056
  C      -6.013487      9.490503      1.187067
  C      -5.337982      9.521177      2.403358
  C      -5.055964      8.326062      3.062203
  F      -4.415210      8.408911      4.243469
  C      -5.449190      7.079948      2.544169
  C      -5.174517      5.738480      3.139406
  O      -5.857124      4.766067      2.806264
  N      -4.076001      5.672649      4.002585
  C      -3.725903      4.459003      4.329215
  C      -6.147533      7.089301      1.332962
  C     -13.135696     -1.008235      2.567181
  C     -12.014824     -1.015687      3.581874
  O     -11.909587     -1.921952      4.402320
  C     -11.027150      0.110769      3.560221
  C     -11.065966      1.132024      2.595801
  C     -10.111259      2.144089      2.600730
  C      -9.110096      2.123602      3.567527
  F      -8.191513      3.109759      3.530566
  C      -9.048219      1.138605      4.566334
  C      -8.042940      1.121673      5.679690
  O      -8.338392      0.629585      6.771300
  N      -6.769037      1.582563      5.350845
  C      -6.061307      2.026915      6.353293
  C     -10.029883      0.144265      4.541366
  H      -5.367490      5.381115     -0.829395
  H      -3.587553      5.491250     -1.048954
  H      -4.554972      4.264454     -1.927732
  H      -6.663742      3.442450     -1.077862
  H      -8.340638      1.695683     -0.493942
  H      -4.416533     -1.616536      4.666137
  H      -4.121510      2.007218      2.070496
  H      -8.260252      9.974405     -0.680490
  H      -6.763763     10.067120     -1.620332
  H      -8.150998      9.143693     -2.271213
  H      -6.218367     10.429366      0.671624
  H      -5.021873     10.460707      2.857219
  H      -4.430144      3.634932      3.877157
  H      -6.488360      6.136356      0.930092
  H     -13.799158     -1.857604      2.760412
  H     -12.729308     -1.089434      1.546787
  H     -13.709294     -0.070555      2.613964
  H     -11.844412      1.141957      1.832684
  H     -10.124097      2.951305      1.867810
  H      -6.539847      2.213847      7.331209
  H     -10.014929     -0.631823      5.307354
  N      -2.188628      1.887441      3.353698
  N      -1.528362      2.223324      2.305806
  H      -2.003094      2.904495      1.661328
  H      -0.863670      1.548301      1.916909
90
Coordinates from ORCA-job orca E -6724.622130489629
  N      -3.054380     -0.010989      5.376999
  Mo     -3.296190      1.911264      4.742472
  N      -4.726165      2.233096      6.262605
  C      -4.124005      2.851551      7.442562
  C      -2.783559      2.181191      7.727583
  N      -1.925428      2.000750      6.489457
  C      -1.164711      0.706694      6.572261
  C      -2.129161     -0.465779      6.384467
  C      -0.971484      3.147618      6.294318
  C      -1.752018      4.401475      5.913250
  N      -2.829834      3.914043      5.083512
  H      -1.573893     -1.358351      6.057547
  H      -2.659883     -0.722322      7.316125
  H      -0.435217      0.719965      5.752838
  H      -0.625814      0.651828      7.530146
  H      -2.151602      4.930004      6.793248
  H      -1.109707      5.107071      5.364059
  H      -0.373828      3.285642      7.208309
  H      -0.303176      2.860180      5.473069
  H      -4.765530      2.713798      8.327988
  H      -4.014459      3.937086      7.296298
  H      -2.978949      1.179032      8.126506
  H      -2.196435      2.736994      8.473984
  C      -4.491934      4.750311     -0.997843
  C      -4.220803      3.784426      0.119187
  O      -3.142676      3.838945      0.731906
  C      -5.256786      2.773727      0.462785
  C      -6.477524      2.679048     -0.228846
  C      -7.407043      1.704503      0.115937
  C      -7.129223      0.822446      1.157758
  F      -8.040469     -0.115025      1.435886
  C      -5.938029      0.908316      1.908397
  C      -5.627651     -0.039584      3.009048
  O      -6.212230     -1.096831      3.191142
  N      -4.528533      0.319000      3.824867
  C      -3.987675     -0.589616      4.634243
  C      -5.023630      1.889409      1.519739
  C      -7.651321      9.376906     -1.363736
  C      -7.136233      8.121039     -0.706457
  O      -7.261298      7.021914     -1.244810
  C      -6.455294      8.236132      0.620694
  C      -6.068487      9.463865      1.186072
  C      -5.395726      9.495519      2.403664
  C      -5.099136      8.300194      3.055685
  F      -4.461479      8.385193      4.238357
  C      -5.474401      7.051977      2.529105
  C      -5.182446      5.709723      3.115873
  O      -5.843679      4.728119      2.766387
  N      -4.104181      5.658353      4.002522
  C      -3.737247      4.450160      4.330917
  C      -6.170425      7.060261      1.316537
  C     -13.216293     -0.787848      2.501372
  C     -12.075043     -0.891433      3.488013
  O     -11.979262     -1.851023      4.246240
  C     -11.056520      0.206912      3.517017
  C     -11.090089      1.293136      2.626081
  C     -10.109443      2.278729      2.677419
  C      -9.088683      2.167672      3.617644
  F      -8.148906      3.134385      3.629735
  C      -9.027284      1.111251      4.540815
  C      -7.990186      0.984199      5.616041
  O      -8.252930      0.397865      6.669163
  N      -6.734121      1.500443      5.314720
  C      -6.040348      1.937152      6.327178
  C     -10.034296      0.145271      4.470515
  H      -5.427996      5.308712     -0.838771
  H      -3.653701      5.448538     -1.086904
  H      -4.613254      4.202655     -1.946466
  H      -6.708844      3.367750     -1.041536
  H      -8.354770      1.606605     -0.413088
  H      -4.288094     -1.644339      4.676088
  H      -4.074363      1.960493      2.041692
  H      -8.315413      9.932072     -0.684606
  H      -6.816187     10.049056     -1.616811
  H      -8.189256      9.113596     -2.280356
  H      -6.284568     10.403018      0.675896
  H      -5.092479     10.436096      2.863998
  H      -4.416300      3.615704      3.863717
  H      -6.497029      6.105334      0.906568
  H     -13.896584     -1.632553      2.651105
  H     -12.834130     -0.807088      1.468686
  H     -13.765038      0.157486      2.626138
  H     -11.885660      1.375186      1.885384
  H     -10.116685      3.134980      2.002333
  H      -6.529984      2.098577      7.304302
  H     -10.018886     -0.684555      5.177835
  N      -2.140720      1.915011      3.368072
  N      -1.482865      2.252580      2.318606
  H      -1.971659      2.917263      1.669921
  H      -0.814137      1.579606      1.934227
90
Coordinates from ORCA-job orca E -6724.622801004816
  N      -3.003442     -0.007008      5.381499
  Mo     -3.286836      1.911958      4.749405
  N      -4.721995      2.208477      6.269444
  C      -4.133843      2.836274      7.450193
  C      -2.782361      2.188629      7.736863
  N      -1.919765      2.023395      6.499940
  C      -1.135062      0.743785      6.587639
  C      -2.076926     -0.445125      6.393987
  C      -0.983422      3.184826      6.309512
  C      -1.779886      4.426257      5.922867
  N      -2.845006      3.922915      5.085607
  H      -1.506449     -1.330000      6.072463
  H      -2.609188     -0.708409      7.322861
  H      -0.399582      0.770359      5.774002
  H      -0.602111      0.699432      7.549444
  H      -2.192161      4.951345      6.798757
  H      -1.143915      5.138992      5.375486
  H      -0.393934      3.333798      7.227102
  H      -0.304237      2.907218      5.493936
  H      -4.773840      2.687007      8.335019
  H      -4.042240      3.923684      7.304964
  H      -2.962320      1.182965      8.134143
  H      -2.204790      2.752346      8.484583
  C      -4.522264      4.645924     -1.049715
  C      -4.258708      3.719260      0.101109
  O      -3.178947      3.782867      0.708996
  C      -5.292723      2.718423      0.473359
  C      -6.529810      2.621715     -0.187836
  C      -7.455435      1.657092      0.192773
  C      -7.153274      0.782349      1.233941
  F      -8.061603     -0.146799      1.548266
  C      -5.940810      0.867367      1.948648
  C      -5.597502     -0.077055      3.040984
  O      -6.140796     -1.157572      3.212634
  N      -4.491450      0.301641      3.839266
  C      -3.930534     -0.598939      4.644547
  C      -5.034837      1.842343      1.530371
  C      -7.671279      9.419626     -1.343354
  C      -7.160359      8.157322     -0.695446
  O      -7.300405      7.061217     -1.236001
  C      -6.464602      8.262079      0.624269
  C      -6.063299      9.484590      1.190600
  C      -5.376273      9.505773      2.400136
  C      -5.080141      8.305523      3.043293
  F      -4.427193      8.382146      4.218096
  C      -5.469652      7.061954      2.515401
  C      -5.178493      5.714074      3.091180
  O      -5.844614      4.736484      2.739153
  N      -4.115616      5.658810      3.992330
  C      -3.748125      4.451238      4.323865
  C      -6.179677      7.081570      1.311532
  C     -13.202562     -0.711660      2.411247
  C     -12.067396     -0.852986      3.400211
  O     -11.976344     -1.840645      4.121508
  C     -11.047619      0.241933      3.475926
  C     -11.076356      1.362755      2.628655
  C     -10.097920      2.346594      2.726078
  C      -9.084236      2.200914      3.668908
  F      -8.155732      3.177081      3.734894
  C      -9.021302      1.102946      4.542118
  C      -7.975124      0.919965      5.598242
  O      -8.205960      0.237973      6.600301
  N      -6.729594      1.467374      5.322559
  C      -6.031968      1.888311      6.334804
  C     -10.026850      0.139497      4.427093
  H      -5.461603      5.205770     -0.924306
  H      -3.685912      5.343954     -1.155651
  H      -4.628760      4.061699     -1.977396
  H      -6.778246      3.303861     -1.000918
  H      -8.418527      1.561107     -0.307928
  H      -4.213174     -1.658522      4.686547
  H      -4.070998      1.913048      2.024944
  H      -8.324890      9.977194     -0.656245
  H      -6.833569     10.086574     -1.600968
  H      -8.219370      9.164151     -2.256019
  H      -6.278166     10.427157      0.686687
  H      -5.060484     10.441861      2.860946
  H      -4.418281      3.613864      3.850267
  H      -6.516340      6.131113      0.900549
  H     -13.880158     -1.564616      2.520179
  H     -12.814885     -0.683556      1.381051
  H     -13.756020      0.224958      2.574369
  H     -11.867981      1.474154      1.887602
  H     -10.102609      3.229662      2.086939
  H      -6.515860      2.027089      7.318644
  H     -10.008304     -0.722100      5.095360
  N      -2.143266      1.929899      3.368503
  N      -1.497077      2.253956      2.306652
  H      -2.001307      2.900403      1.653277
  H      -0.836515      1.571882      1.924859
90
Coordinates from ORCA-job orca E -6724.623414611475
  N      -2.939609     -0.016574      5.394609
  Mo     -3.263816      1.896328      4.763628
  N      -4.706792      2.168715      6.276544
  C      -4.131752      2.803540      7.460845
  C      -2.768624      2.181018      7.749053
  N      -1.901563      2.036605      6.513863
  C      -1.089923      0.774312      6.603299
  C      -2.003920     -0.436383      6.407001
  C      -0.988656      3.217528      6.325104
  C      -1.809630      4.442768      5.937411
  N      -2.861970      3.917455      5.097124
  H      -1.410953     -1.305091      6.082119
  H      -2.529282     -0.717646      7.334517
  H      -0.353445      0.817402      5.791245
  H      -0.558212      0.739844      7.566152
  H      -2.233946      4.958441      6.813031
  H      -1.187871      5.169774      5.392512
  H      -0.402016      3.377510      7.242544
  H      -0.304338      2.953792      5.509320
  H      -4.770285      2.639842      8.344119
  H      -4.061053      3.892757      7.319606
  H      -2.931413      1.170349      8.141033
  H      -2.204031      2.752048      8.501121
  C      -4.556918      4.594179     -1.055691
  C      -4.267419      3.671612      0.093121
  O      -3.176849      3.748316      0.680312
  C      -5.290271      2.670390      0.490877
  C      -6.543222      2.578261     -0.140222
  C      -7.464687      1.620186      0.264700
  C      -7.141270      0.746343      1.299832
  F      -8.047562     -0.175271      1.640953
  C      -5.910379      0.824496      1.982995
  C      -5.543193     -0.129259      3.060600
  O      -6.072345     -1.217437      3.226358
  N      -4.445088      0.266052      3.861542
  C      -3.870201     -0.621641      4.674160
  C      -5.009676      1.793497      1.541791
  C      -7.772881      9.352804     -1.335942
  C      -7.248964      8.096143     -0.686939
  O      -7.401358      6.995155     -1.213102
  C      -6.530204      8.212981      0.619591
  C      -6.125729      9.440981      1.171494
  C      -5.420144      9.472867      2.369849
  C      -5.109152      8.278475      3.016841
  F      -4.438773      8.367346      4.180857
  C      -5.500471      7.029505      2.503317
  C      -5.200820      5.685901      3.085199
  O      -5.840591      4.698386      2.710289
  N      -4.142167      5.639931      3.992429
  C      -3.765640      4.434279      4.325467
  C      -6.227477      7.038565      1.309279
  C     -13.185776     -0.507767      2.273411
  C     -12.064161     -0.722189      3.264447
  O     -11.993338     -1.752309      3.925782
  C     -11.031597      0.352556      3.416207
  C     -11.042157      1.527446      2.644232
  C     -10.053787      2.491111      2.811640
  C      -9.047317      2.270940      3.746754
  F      -8.112946      3.234314      3.889283
  C      -8.997777      1.115175      4.540677
  C      -7.947630      0.848476      5.571859
  O      -8.173875      0.103028      6.528627
  N      -6.706925      1.418951      5.328598
  C      -6.011527      1.825115      6.344605
  C     -10.015428      0.173726      4.360499
  H      -5.503120      5.140114     -0.925635
  H      -3.732738      5.305203     -1.169773
  H      -4.660329      4.006362     -1.981633
  H      -6.807939      3.260462     -0.947749
  H      -8.440817      1.530071     -0.211053
  H      -4.143574     -1.683475      4.725933
  H      -4.032320      1.855304      2.010441
  H      -8.415094      9.914791     -0.641840
  H      -6.940078     10.018059     -1.612489
  H      -8.336463      9.090104     -2.236948
  H      -6.353395     10.379402      0.665725
  H      -5.101718     10.413337      2.819613
  H      -4.416581      3.593250      3.847601
  H      -6.565868      6.083860      0.910254
  H     -13.870264     -1.361066      2.316670
  H     -12.785543     -0.412935      1.252238
  H     -13.735800      0.419381      2.493065
  H     -11.828182      1.698107      1.908503
  H     -10.045517      3.415159      2.233609
  H      -6.491109      1.936731      7.334609
  H     -10.006241     -0.731896      4.968148
  N      -2.122329      1.929255      3.381049
  N      -1.486072      2.252674      2.310902
  H      -1.996372      2.889518      1.650710
  H      -0.824740      1.571037      1.928271
90
Coordinates from ORCA-job orca E -6724.623833640007
  N      -2.918816     -0.027037      5.399253
  Mo     -3.260547      1.885248      4.770546
  N      -4.700859      2.155341      6.280694
  C      -4.127672      2.795425      7.464406
  C      -2.761937      2.181352      7.755709
  N      -1.897043      2.038144      6.520092
  C      -1.079733      0.779780      6.613049
  C      -1.989325     -0.434939      6.421853
  C      -0.990865      3.223588      6.327396
  C      -1.818839      4.442848      5.935506
  N      -2.865537      3.909617      5.093704
  H      -1.392230     -1.305853      6.110598
  H      -2.521530     -0.707889      7.347890
  H      -0.344025      0.823095      5.800241
  H      -0.547540      0.749583      7.575717
  H      -2.247408      4.958421      6.809241
  H      -1.200515      5.172561      5.390168
  H      -0.405264      3.390099      7.244328
  H      -0.304863      2.961147      5.512531
  H      -4.766364      2.632926      8.347680
  H      -4.061545      3.884314      7.319247
  H      -2.918975      1.171478      8.152089
  H      -2.200588      2.758798      8.505309
  C      -4.581459      4.580127     -1.052144
  C      -4.271909      3.650374      0.086818
  O      -3.170091      3.722585      0.653971
  C      -5.291950      2.653004      0.500611
  C      -6.564204      2.584974     -0.093745
  C      -7.487556      1.636326      0.328997
  C      -7.145401      0.747361      1.344430
  F      -8.056893     -0.159998      1.710042
  C      -5.893612      0.799622      1.990312
  C      -5.507369     -0.171800      3.046658
  O      -6.013688     -1.274336      3.186010
  N      -4.429437      0.238746      3.866491
  C      -3.842289     -0.642545      4.678676
  C      -4.991759      1.760089      1.533100
  C      -7.816107      9.352059     -1.321252
  C      -7.285240      8.092421     -0.683011
  O      -7.438792      6.994378     -1.214594
  C      -6.551103      8.204698      0.615763
  C      -6.150677      9.431947      1.172562
  C      -5.433122      9.460709      2.363850
  C      -5.107660      8.264315      2.999927
  F      -4.425788      8.350951      4.157457
  C      -5.494777      7.015818      2.482016
  C      -5.183542      5.670949      3.054889
  O      -5.814020      4.680640      2.670842
  N      -4.134442      5.628377      3.974254
  C      -3.764803      4.421988      4.312900
  C      -6.230880      7.027587      1.293094
  C     -13.150476     -0.476594      2.207610
  C     -12.052147     -0.688111      3.224674
  O     -11.999516     -1.713732      3.894790
  C     -11.022253      0.386616      3.395264
  C     -11.017335      1.560149      2.620850
  C     -10.035610      2.526754      2.809284
  C      -9.049405      2.309508      3.766338
  F      -8.131742      3.283932      3.942085
  C      -9.007366      1.148606      4.553091
  C      -7.963783      0.870197      5.586846
  O      -8.200280      0.126112      6.541413
  N      -6.714279      1.424491      5.343958
  C      -6.008033      1.815037      6.356127
  C     -10.022753      0.207367      4.356479
  H      -5.522475      5.129714     -0.900323
  H      -3.757555      5.289498     -1.178663
  H      -4.704764      3.996633     -1.979301
  H      -6.843554      3.280027     -0.885210
  H      -8.480095      1.568149     -0.115453
  H      -4.100770     -1.708476      4.726746
  H      -4.000933      1.801890      1.974913
  H      -8.454860      9.908744     -0.619604
  H      -6.985939     10.020251     -1.598971
  H      -8.385257      9.093721     -2.220038
  H      -6.391287     10.372443      0.676512
  H      -5.117035     10.400417      2.816954
  H      -4.407873      3.579347      3.832143
  H      -6.563192      6.072632      0.888644
  H     -13.834365     -1.331118      2.234874
  H     -12.726900     -0.380963      1.195933
  H     -13.707886      0.449482      2.414089
  H     -11.787618      1.729496      1.868291
  H     -10.019405      3.452027      2.233021
  H      -6.476229      1.914157      7.353140
  H     -10.020884     -0.699887      4.961779
  N      -2.119233      1.918257      3.388713
  N      -1.488546      2.233680      2.312787
  H      -1.999895      2.861148      1.645062
  H      -0.830880      1.547741      1.931586
90
Coordinates from ORCA-job orca E -6724.624040087742
  N      -2.898608     -0.032387      5.389025
  Mo     -3.254990      1.879094      4.765928
  N      -4.709008      2.137669      6.259611
  C      -4.144139      2.775444      7.451234
  C      -2.775954      2.170226      7.749827
  N      -1.902178      2.040251      6.519766
  C      -1.072470      0.789331      6.611478
  C      -1.969699     -0.434348      6.414937
  C      -1.006936      3.235961      6.334166
  C      -1.845417      4.448196      5.943749
  N      -2.882345      3.908797      5.094120
  H      -1.361219     -1.296910      6.101986
  H      -2.501333     -0.716825      7.338273
  H      -0.335824      0.841202      5.799982
  H      -0.541983      0.761278      7.575054
  H      -2.283080      4.953941      6.818965
  H      -1.232323      5.188468      5.406781
  H      -0.424885      3.403079      7.253168
  H      -0.317766      2.982349      5.519073
  H      -4.787875      2.605049      8.329079
  H      -4.085226      3.865342      7.311203
  H      -2.927984      1.157144      8.139837
  H      -2.224531      2.748311      8.506389
  C      -4.544531      4.565286     -1.069135
  C      -4.233400      3.633552      0.067859
  O      -3.126157      3.702733      0.625244
  C      -5.255699      2.641768      0.488202
  C      -6.534313      2.589525     -0.094553
  C      -7.469230      1.657664      0.341135
  C      -7.131941      0.770594      1.359472
  F      -8.053585     -0.119575      1.741884
  C      -5.873205      0.805150      1.991699
  C      -5.491724     -0.172437      3.045107
  O      -5.995737     -1.277338      3.171677
  N      -4.424546      0.238673      3.876115
  C      -3.833567     -0.645662      4.683440
  C      -4.958720      1.747192      1.520950
  C      -7.799274      9.381568     -1.333323
  C      -7.275291      8.117388     -0.697928
  O      -7.440703      7.020618     -1.228254
  C      -6.540690      8.223141      0.601609
  C      -6.139783      9.447442      1.164819
  C      -5.420905      9.469445      2.355397
  C      -5.095519      8.269533      2.985061
  F      -4.410079      8.350866      4.140867
  C      -5.485160      7.023738      2.462120
  C      -5.176392      5.675695      3.028444
  O      -5.795822      4.686144      2.623844
  N      -4.137657      5.629778      3.961193
  C      -3.772230      4.420951      4.300476
  C      -6.220956      7.042536      1.272669
  C     -13.160188     -0.509510      2.215116
  C     -12.063616     -0.715673      3.234800
  O     -11.994761     -1.750137      3.889982
  C     -11.051923      0.373843      3.422921
  C     -11.076868      1.565605      2.677616
  C     -10.114446      2.548388      2.883294
  C      -9.115920      2.327197      3.826783
  F      -8.220411      3.317673      4.025540
  C      -9.039711      1.144874      4.578465
  C      -7.976275      0.855566      5.589926
  O      -8.190281      0.082322      6.525480
  N      -6.729333      1.411762      5.326287
  C      -6.016365      1.793594      6.337741
  C     -10.039414      0.189660      4.369097
  H      -5.485243      5.114768     -0.915777
  H      -3.720643      5.275202     -1.193421
  H      -4.666743      3.984524     -1.997282
  H      -6.811388      3.285601     -0.885714
  H      -8.467333      1.604277     -0.092561
  H      -4.100049     -1.709356      4.737698
  H      -3.962760      1.770249      1.952716
  H      -8.436336      9.939560     -0.631050
  H      -6.964984     10.046034     -1.607713
  H      -8.368670      9.128606     -2.233477
  H      -6.380212     10.390984      0.674339
  H      -5.102843     10.406578      2.812569
  H      -4.401024      3.579737      3.806087
  H      -6.550912      6.089423      0.861622
  H     -13.823296     -1.380689      2.219444
  H     -12.733076     -0.381400      1.208529
  H     -13.742146      0.397702      2.437613
  H     -11.856320      1.738199      1.935329
  H     -10.124008      3.489134      2.332093
  H      -6.475583      1.874261      7.340435
  H     -10.013724     -0.732286      4.951122
  N      -2.103309      1.921473      3.391414
  N      -1.477683      2.248025      2.316102
  H      -2.007458      2.849887      1.635506
  H      -0.815157      1.566472      1.934214
90
Coordinates from ORCA-job orca E -6724.624268234298
  N      -2.822557     -0.035404      5.375856
  Mo     -3.239708      1.875080      4.776412
  N      -4.697348      2.086382      6.265049
  C      -4.149479      2.726705      7.464835
  C      -2.765773      2.156562      7.762859
  N      -1.886554      2.056457      6.533833
  C      -1.026439      0.825529      6.618113
  C      -1.897726     -0.414873      6.413493
  C      -1.019860      3.273312      6.357512
  C      -1.882547      4.466649      5.966144
  N      -2.902207      3.908239      5.109746
  H      -1.271191     -1.268724      6.111950
  H      -2.435852     -0.701230      7.331669
  H      -0.289597      0.897431      5.808348
  H      -0.497065      0.803819      7.582532
  H      -2.335046      4.960852      6.840605
  H      -1.282771      5.221106      5.433653
  H      -0.448069      3.451384      7.280950
  H      -0.319483      3.038627      5.546114
  H      -4.791150      2.535947      8.339864
  H      -4.117899      3.818736      7.330142
  H      -2.891104      1.138602      8.149316
  H      -2.232241      2.746622      8.523022
  C      -4.618999      4.529243     -1.057016
  C      -4.285267      3.609062      0.084219
  O      -3.178272      3.696585      0.638806
  C      -5.286655      2.598269      0.512582
  C      -6.579505      2.537546     -0.037006
  C      -7.494971      1.594387      0.417879
  C      -7.122414      0.704530      1.421072
  F      -8.024915     -0.195146      1.829942
  C      -5.847199      0.743501      2.015168
  C      -5.425252     -0.234952      3.053597
  O      -5.884420     -1.361824      3.159248
  N      -4.373747      0.203598      3.887189
  C      -3.741331     -0.672348      4.671840
  C      -4.951582      1.696361      1.528213
  C      -7.834543      9.340636     -1.333213
  C      -7.311263      8.079789     -0.690321
  O      -7.490742      6.978147     -1.206244
  C      -6.569733      8.193746      0.605524
  C      -6.169044      9.421425      1.161896
  C      -5.446347      9.450043      2.350364
  C      -5.117169      8.253528      2.985134
  F      -4.426936      8.343607      4.137634
  C      -5.507034      7.003977      2.468723
  C      -5.195808      5.658830      3.040740
  O      -5.810531      4.665744      2.637767
  N      -4.160571      5.616530      3.975991
  C      -3.790955      4.407652      4.308861
  C      -6.245481      7.016940      1.280681
  C     -13.171495     -0.350919      2.147523
  C     -12.095321     -0.590309      3.181185
  O     -12.068517     -1.623262      3.842351
  C     -11.048578      0.466055      3.375910
  C     -11.031696      1.659110      2.633359
  C     -10.042921      2.614115      2.850664
  C      -9.060521      2.362936      3.803977
  F      -8.141080      3.327928      4.017112
  C      -9.020438      1.171439      4.545561
  C      -7.961023      0.832928      5.548558
  O      -8.191304      0.056046      6.476402
  N      -6.703266      1.369813      5.296319
  C      -6.003395      1.731677      6.325254
  C     -10.046165      0.246900      4.325675
  H      -5.563512      5.069102     -0.894524
  H      -3.805144      5.248768     -1.193828
  H      -4.745629      3.942515     -1.981500
  H      -6.884743      3.236927     -0.815189
  H      -8.505015      1.536626      0.012792
  H      -3.970154     -1.745483      4.716813
  H      -3.944490      1.721915      1.933651
  H      -8.466882      9.906506     -0.632541
  H      -6.999815     10.000477     -1.617998
  H      -8.409763      9.081343     -2.228074
  H      -6.412637     10.362582      0.667845
  H      -5.127242     10.389869      2.801827
  H      -4.400117      3.556148      3.799668
  H      -6.571493      6.061164      0.872012
  H     -13.858932     -1.203259      2.140708
  H     -12.728079     -0.231447      1.146734
  H     -13.731357      0.571390      2.365628
  H     -11.798836      1.856146      1.884074
  H     -10.022556      3.556712      2.303166
  H      -6.470858      1.782956      7.325779
  H     -10.050134     -0.678618      4.902747
  N      -2.088329      1.945095      3.390180
  N      -1.477313      2.264507      2.308237
  H      -1.996147      2.885915      1.635521
  H      -0.795748      1.599231      1.927738
90
Coordinates from ORCA-job orca E -6724.624412969867
  N      -2.800690     -0.036601      5.380450
  Mo     -3.233436      1.871905      4.781642
  N      -4.695963      2.078343      6.264340
  C      -4.154402      2.724554      7.463852
  C      -2.769558      2.161881      7.766602
  N      -1.885309      2.064036      6.540115
  C      -1.017639      0.838792      6.629769
  C      -1.877820     -0.408401      6.422978
  C      -1.026006      3.286947      6.363678
  C      -1.896677      4.473927      5.969984
  N      -2.911647      3.908016      5.112433
  H      -1.242075     -1.256283      6.123953
  H      -2.416967     -0.700153      7.338961
  H      -0.278662      0.915488      5.822490
  H      -0.491422      0.823158      7.596052
  H      -2.353854      4.965182      6.843816
  H      -1.301579      5.232713      5.438448
  H      -0.457059      3.469109      7.288080
  H      -0.322974      3.055628      5.553717
  H      -4.797965      2.532343      8.337282
  H      -4.127652      3.816210      7.326121
  H      -2.889860      1.144007      8.154783
  H      -2.241535      2.756743      8.526801
  C      -4.622912      4.494543     -1.080110
  C      -4.276011      3.572799      0.054880
  O      -3.162873      3.662663      0.596118
  C      -5.272051      2.560947      0.493596
  C      -6.566201      2.492437     -0.051589
  C      -7.475286      1.544737      0.406510
  C      -7.094939      0.657926      1.409616
  F      -7.991233     -0.245820      1.822888
  C      -5.819048      0.706768      2.001670
  C      -5.389082     -0.265387      3.042544
  O      -5.847821     -1.391554      3.158524
  N      -4.346378      0.185150      3.880781
  C      -3.714781     -0.681611      4.676363
  C      -4.930468      1.664451      1.511688
  C      -7.844517      9.371840     -1.312273
  C      -7.330310      8.104651     -0.674810
  O      -7.496716      7.009199     -1.207907
  C      -6.586110      8.207958      0.620038
  C      -6.186726      9.431302      1.186554
  C      -5.462540      9.450615      2.374144
  C      -5.128918      8.248932      2.996687
  F      -4.437821      8.329603      4.149256
  C      -5.515647      7.003422      2.469002
  C      -5.198682      5.653752      3.027080
  O      -5.817797      4.663553      2.624098
  N      -4.169122      5.610350      3.969763
  C      -3.798283      4.402305      4.305266
  C      -6.258088      7.025753      1.283752
  C     -13.191304     -0.312265      2.154012
  C     -12.114036     -0.557080      3.185436
  O     -12.099269     -1.584344      3.855470
  C     -11.057466      0.490033      3.374080
  C     -11.033585      1.682093      2.630270
  C     -10.034841      2.628170      2.840869
  C      -9.049462      2.368863      3.788851
  F      -8.117311      3.323296      3.993229
  C      -9.020545      1.180841      4.536751
  C      -7.963679      0.839459      5.541576
  O      -8.201075      0.074592      6.477103
  N      -6.700737      1.369220      5.287030
  C      -6.003015      1.725060      6.320633
  C     -10.054629      0.264791      4.322300
  H      -5.563983      5.035989     -0.903632
  H      -3.809383      5.212367     -1.226743
  H      -4.763218      3.909202     -2.002713
  H      -6.876887      3.187395     -0.831476
  H      -8.485512      1.480007      0.003054
  H      -3.936457     -1.755696      4.725332
  H      -3.922668      1.695061      1.914374
  H      -8.483697      9.932030     -0.613477
  H      -7.006410     10.033569     -1.582142
  H      -8.410437      9.121161     -2.215418
  H      -6.433574     10.376319      0.701844
  H      -5.145575     10.386833      2.834259
  H      -4.401111      3.547495      3.793776
  H      -6.586038      6.073584      0.869095
  H     -13.886099     -1.158544      2.152743
  H     -12.750140     -0.200054      1.151538
  H     -13.742571      0.615458      2.370476
  H     -11.802180      1.884648      1.884090
  H     -10.008173      3.569302      2.291337
  H      -6.473687      1.778163      7.319056
  H     -10.065987     -0.659107      4.901885
  N      -2.085191      1.947643      3.399703
  N      -1.480148      2.270919      2.315272
  H      -2.021206      2.861347      1.632499
  H      -0.790598      1.612109      1.939780
90
Coordinates from ORCA-job orca E -6724.624556921063
  N      -2.792190     -0.037222      5.384957
  Mo     -3.234903      1.868687      4.781798
  N      -4.698227      2.078215      6.263270
  C      -4.157788      2.730578      7.459202
  C      -2.772987      2.169860      7.762796
  N      -1.887301      2.069444      6.536373
  C      -1.014804      0.847981      6.632102
  C      -1.867963     -0.403493      6.428297
  C      -1.031632      3.295169      6.357104
  C      -1.906599      4.478677      5.961257
  N      -2.920337      3.908068      5.104432
  H      -1.228654     -1.249315      6.131423
  H      -2.405697     -0.695687      7.345228
  H      -0.275056      0.925951      5.825647
  H      -0.489745      0.839735      7.599106
  H      -2.365390      4.970242      6.834135
  H      -1.314111      5.238521      5.428320
  H      -0.463829      3.480941      7.281615
  H      -0.327029      3.064510      5.548408
  H      -4.801018      2.539843      8.333458
  H      -4.132128      3.821476      7.317249
  H      -2.891504      1.152840      8.153974
  H      -2.245500      2.767798      8.520883
  C      -4.643262      4.458629     -1.093360
  C      -4.293884      3.548250      0.049138
  O      -3.180144      3.645971      0.588538
  C      -5.290117      2.542893      0.501315
  C      -6.582729      2.466138     -0.045552
  C      -7.489548      1.519003      0.416858
  C      -7.107652      0.639129      1.425409
  F      -8.001063     -0.265379      1.842074
  C      -5.833327      0.697676      2.020549
  C      -5.401951     -0.265218      3.068635
  O      -5.851328     -1.394902      3.186361
  N      -4.346640      0.183914      3.893042
  C      -3.714207     -0.681839      4.689760
  C      -4.948112      1.656057      1.527209
  C      -7.797990      9.438140     -1.314330
  C      -7.287011      8.162477     -0.691819
  O      -7.451915      7.074659     -1.240716
  C      -6.553814      8.246981      0.610002
  C      -6.161801      9.462459      1.197693
  C      -5.449367      9.465523      2.392221
  C      -5.119092      8.255453      2.999955
  F      -4.440727      8.320255      4.160841
  C      -5.496253      7.017185      2.449887
  C      -5.181634      5.660025      2.992399
  O      -5.784013      4.672094      2.560133
  N      -4.166239      5.609469      3.949436
  C      -3.801636      4.400674      4.289649
  C      -6.228704      7.055592      1.259061
  C     -13.183220     -0.352260      2.148667
  C     -12.095959     -0.596763      3.169953
  O     -12.058241     -1.637224      3.817686
  C     -11.057618      0.464622      3.374571
  C     -11.063165      1.675419      2.661366
  C     -10.080029      2.634228      2.886445
  C      -9.079522      2.368949      3.816734
  F      -8.163805      3.335607      4.036391
  C      -9.024967      1.165570      4.538515
  C      -7.959267      0.823299      5.532974
  O      -8.180491      0.036290      6.453678
  N      -6.702926      1.375808      5.281563
  C      -6.005794      1.725525      6.318035
  C     -10.043548      0.236191      4.310309
  H      -5.582344      5.004216     -0.917856
  H      -3.828472      5.172325     -1.251734
  H      -4.790463      3.863750     -2.008920
  H      -6.893652      3.153781     -0.831782
  H      -8.498423      1.447988      0.011260
  H      -3.939652     -1.754401      4.744462
  H      -3.940872      1.691130      1.929989
  H      -8.443936      9.986531     -0.612513
  H      -6.959426     10.105809     -1.567083
  H      -8.356053      9.200158     -2.225717
  H      -6.406481     10.413867      0.724830
  H      -5.139729     10.395274      2.869802
  H      -4.404457      3.546213      3.778496
  H      -6.555191      6.109511      0.830134
  H     -13.858456     -1.213916      2.130417
  H     -12.749872     -0.205392      1.147382
  H     -13.754483      0.556952      2.390050
  H     -11.842979      1.882119      1.928199
  H     -10.075877      3.589252      2.360521
  H      -6.477405      1.776852      7.315761
  H     -10.033988     -0.701405      4.867496
  N      -2.095236      1.946330      3.399737
  N      -1.501668      2.273756      2.309257
  H      -2.054170      2.854270      1.628529
  H      -0.792608      1.634398      1.939575
90
Coordinates from ORCA-job orca E -6724.624727778214
  N      -2.758475     -0.041056      5.381193
  Mo     -3.228429      1.861595      4.783190
  N      -4.700348      2.059554      6.256467
  C      -4.167805      2.714010      7.455112
  C      -2.779637      2.165663      7.763063
  N      -1.887684      2.076651      6.540306
  C      -1.001026      0.865910      6.639700
  C      -1.836542     -0.396098      6.430847
  C      -1.045751      3.313379      6.365905
  C      -1.933013      4.486599      5.965796
  N      -2.936685      3.904225      5.105009
  H      -1.183856     -1.232923      6.137698
  H      -2.375988     -0.696188      7.344302
  H      -0.258874      0.953658      5.836355
  H      -0.480034      0.863974      7.608828
  H      -2.400765      4.972469      6.837120
  H      -1.347639      5.254110      5.436048
  H      -0.484798      3.505157      7.293297
  H      -0.334460      3.091870      5.560573
  H      -4.812281      2.515168      8.326697
  H      -4.151580      3.805069      7.314976
  H      -2.889687      1.146635      8.151713
  H      -2.261937      2.767674      8.524690
  C      -4.654205      4.429895     -1.099673
  C      -4.296537      3.529846      0.048151
  O      -3.179954      3.637054      0.580370
  C      -5.282139      2.516401      0.504593
  C      -6.573900      2.428285     -0.042108
  C      -7.473211      1.474247      0.419978
  C      -7.084219      0.598736      1.429358
  F      -7.968233     -0.315539      1.844351
  C      -5.810610      0.668494      2.024469
  C      -5.372160     -0.291933      3.072324
  O      -5.815064     -1.424406      3.190311
  N      -4.321480      0.165583      3.896866
  C      -3.682551     -0.692829      4.696267
  C      -4.932234      1.632732      1.530668
  C      -7.803832      9.480254     -1.290705
  C      -7.291221      8.198213     -0.682887
  O      -7.479984      7.113389     -1.229536
  C      -6.551908      8.270048      0.616364
  C      -6.157138      9.479720      1.213788
  C      -5.441359      9.471230      2.406149
  C      -5.110630      8.255644      3.002364
  F      -4.429007      8.310417      4.161907
  C      -5.489096      7.022485      2.441653
  C      -5.175018      5.659887      2.971936
  O      -5.765988      4.674046      2.518762
  N      -4.170176      5.602678      3.938329
  C      -3.810444      4.391899      4.277896
  C      -6.224546      7.072557      1.253117
  C     -13.214216     -0.333593      2.167540
  C     -12.135361     -0.567442      3.200131
  O     -12.114287     -1.592360      3.872685
  C     -11.078307      0.480268      3.377464
  C     -11.065241      1.675182      2.638269
  C     -10.064385      2.620868      2.838999
  C      -9.064293      2.358102      3.770202
  F      -8.128454      3.311992      3.961960
  C      -9.029690      1.171090      4.519629
  C      -7.970734      0.832239      5.522023
  O      -8.205885      0.066027      6.456182
  N      -6.706154      1.368366      5.267114
  C      -6.008764      1.710759      6.306302
  C     -10.065295      0.255194      4.315231
  H      -5.591675      4.976951     -0.920591
  H      -3.841224      5.142789     -1.269736
  H      -4.809347      3.828694     -2.009794
  H      -6.890420      3.112447     -0.828860
  H      -8.481048      1.394663      0.013536
  H      -3.903135     -1.766256      4.756537
  H      -3.924892      1.672599      1.932482
  H      -8.440235     10.025831     -0.578069
  H      -6.965497     10.146356     -1.547467
  H      -8.372759      9.251068     -2.197561
  H      -6.402497     10.435558      0.750548
  H      -5.129839     10.396311      2.891388
  H      -4.402205      3.537462      3.761605
  H      -6.552878      6.130748      0.816543
  H     -13.897538     -1.188950      2.163036
  H     -12.774328     -0.210102      1.166118
  H     -13.778382      0.585206      2.388449
  H     -11.844146      1.880086      1.903708
  H     -10.045432      3.563596      2.291741
  H      -6.482547      1.758379      7.303057
  H     -10.071242     -0.669727      4.893170
  N      -2.085317      1.952125      3.399769
  N      -1.503554      2.286455      2.305919
  H      -2.061625      2.872873      1.632484
  H      -0.796032      1.650770      1.926916
90
Coordinates from ORCA-job orca E -6724.624983926170
  N      -2.696484     -0.039809      5.384132
  Mo     -3.217541      1.853667      4.790509
  N      -4.693223      2.033335      6.259012
  C      -4.169356      2.692644      7.459511
  C      -2.771956      2.167771      7.766035
  N      -1.876728      2.097026      6.543834
  C      -0.965087      0.906719      6.648917
  C      -1.773637     -0.372090      6.440433
  C      -1.058951      3.350007      6.369351
  C      -1.966244      4.504589      5.962045
  N      -2.958820      3.900970      5.103532
  H      -1.101862     -1.195745      6.152898
  H      -2.311532     -0.680817      7.351822
  H      -0.221929      1.008130      5.847866
  H      -0.447399      0.918897      7.619656
  H      -2.443301      4.985797      6.830933
  H      -1.394680      5.280611      5.429693
  H      -0.506047      3.554926      7.298683
  H      -0.339467      3.140632      5.567931
  H      -4.809887      2.480417      8.330882
  H      -4.171507      3.784011      7.321375
  H      -2.863809      1.145847      8.152068
  H      -2.265966      2.777445      8.529635
  C      -4.754886      4.367201     -1.074460
  C      -4.365433      3.473085      0.067598
  O      -3.245181      3.602629      0.587210
  C      -5.325462      2.440070      0.534643
  C      -6.617854      2.320958     -0.004455
  C      -7.493992      1.349320      0.465598
  C      -7.081698      0.488491      1.478350
  F      -7.941440     -0.445630      1.900432
  C      -5.807496      0.590515      2.066934
  C      -5.343883     -0.351017      3.120677
  O      -5.770116     -1.488106      3.257792
  N      -4.288118      0.130409      3.924394
  C      -3.623342     -0.710019      4.721139
  C      -4.950768      1.568756      1.562319
  C      -7.806415      9.540461     -1.257340
  C      -7.317813      8.247100     -0.653363
  O      -7.534084      7.167105     -1.199128
  C      -6.557874      8.303599      0.635159
  C      -6.145094      9.505875      1.235259
  C      -5.415170      9.483447      2.418858
  C      -5.088695      8.261484      3.004352
  F      -4.391572      8.305316      4.155306
  C      -5.483579      7.034630      2.439778
  C      -5.176111      5.664983      2.957957
  O      -5.767227      4.685179      2.491176
  N      -4.178133      5.594628      3.928201
  C      -3.825301      4.380062      4.263003
  C      -6.231156      7.099259      1.259407
  C     -13.205691     -0.259663      2.108410
  C     -12.136255     -0.505914      3.147914
  O     -12.138624     -1.524691      3.830234
  C     -11.063428      0.525980      3.325355
  C     -11.029896      1.719310      2.584337
  C     -10.014200      2.649071      2.785559
  C      -9.019714      2.372177      3.718529
  F      -8.065000      3.308174      3.904080
  C      -9.006582      1.186924      4.471442
  C      -7.961167      0.835627      5.483370
  O      -8.211171      0.065831      6.410262
  N      -6.688309      1.361400      5.242149
  C      -6.002337      1.689620      6.294271
  C     -10.056148      0.287238      4.266238
  H      -5.692569      4.905951     -0.873198
  H      -3.952763      5.087708     -1.262864
  H      -4.926632      3.765180     -1.981066
  H      -6.953843      2.994863     -0.791828
  H      -8.501625      1.245854      0.063927
  H      -3.828713     -1.785925      4.796854
  H      -3.942791      1.630588      1.959837
  H      -8.428422     10.097552     -0.540711
  H      -6.956581     10.190380     -1.517795
  H      -8.384984      9.323899     -2.161243
  H      -6.387213     10.466805      0.780775
  H      -5.089220     10.402688      2.905944
  H      -4.407133      3.523977      3.744135
  H      -6.569624      6.163065      0.818403
  H     -13.897046     -1.108523      2.098059
  H     -12.758823     -0.136245      1.110187
  H     -13.763060      0.663445      2.329728
  H     -11.804808      1.935901      1.848728
  H      -9.978899      3.590161      2.236087
  H      -6.487188      1.728620      7.286121
  H     -10.079896     -0.635823      4.846597
  N      -2.085366      1.961112      3.394021
  N      -1.531483      2.292213      2.286453
  H      -2.115182      2.862238      1.617079
  H      -0.827306      1.657219      1.898675
90
Coordinates from ORCA-job orca E -6724.625209852237
  N      -2.660793     -0.034717      5.398801
  Mo     -3.212663      1.847861      4.794098
  N      -4.696224      2.030431      6.251508
  C      -4.182886      2.701466      7.450493
  C      -2.782108      2.190930      7.765128
  N      -1.879093      2.120620      6.548038
  C      -0.954576      0.943665      6.672864
  C      -1.745598     -0.346644      6.468110
  C      -1.073219      3.380369      6.367839
  C      -1.988517      4.521210      5.942734
  N      -2.972169      3.899485      5.087266
  H      -1.059036     -1.162284      6.192476
  H      -2.288226     -0.657390      7.375773
  H      -0.204478      1.046903      5.878380
  H      -0.446393      0.971183      7.648272
  H      -2.473917      5.007253      6.804327
  H      -1.422582      5.297257      5.404550
  H      -0.529851      3.599267      7.299522
  H      -0.344870      3.171164      5.574274
  H      -4.824083      2.486364      8.320668
  H      -4.195774      3.792214      7.306888
  H      -2.866906      1.169898      8.155004
  H      -2.285257      2.808471      8.528544
  C      -4.843999      4.300366     -1.063959
  C      -4.420795      3.404201      0.063973
  O      -3.290767      3.544899      0.558374
  C      -5.359228      2.357899      0.545098
  C      -6.651767      2.211724      0.012612
  C      -7.508217      1.226770      0.491191
  C      -7.078015      0.381818      1.510096
  F      -7.920421     -0.563283      1.942121
  C      -5.804886      0.513980      2.095696
  C      -5.324278     -0.405879      3.160303
  O      -5.744276     -1.541480      3.326422
  N      -4.267104      0.100599      3.947948
  C      -3.590477     -0.719701      4.754471
  C      -4.966236      1.501669      1.578265
  C      -7.803940      9.663114     -1.191917
  C      -7.336758      8.352424     -0.607768
  O      -7.597169      7.282788     -1.154186
  C      -6.541595      8.380019      0.660696
  C      -6.098231      9.568335      1.266899
  C      -5.340848      9.519863      2.432323
  C      -5.018088      8.285917      2.994294
  F      -4.292663      8.307112      4.128519
  C      -5.442370      7.071670      2.422640
  C      -5.144435      5.690080      2.916359
  O      -5.748227      4.723712      2.436856
  N      -4.157331      5.596932      3.894434
  C      -3.823393      4.375692      4.227674
  C      -6.215011      7.163031      1.259990
  C     -13.204473     -0.266504      2.082268
  C     -12.136729     -0.507987      3.124773
  O     -12.145222     -1.519541      3.818011
  C     -11.058529      0.520065      3.291537
  C     -11.019937      1.706837      2.539884
  C      -9.998662      2.632314      2.731064
  C      -9.003488      2.358394      3.664341
  F      -8.042164      3.289465      3.835626
  C      -8.995459      1.180154      4.428498
  C      -7.956334      0.835137      5.448350
  O      -8.212036      0.070245      6.377655
  N      -6.681067      1.360697      5.216086
  C      -6.006591      1.691838      6.274515
  C     -10.051002      0.284661      4.232850
  H      -5.774817      4.837458     -0.830392
  H      -4.049173      5.022875     -1.274059
  H      -5.043834      3.702403     -1.966857
  H      -7.003113      2.874128     -0.777672
  H      -8.514962      1.102405      0.093338
  H      -3.789946     -1.795324      4.852207
  H      -3.958884      1.584420      1.973773
  H      -8.398035     10.229088     -0.458542
  H      -6.943898     10.294517     -1.464083
  H      -8.406027      9.468587     -2.085418
  H      -6.337704     10.538629      0.831197
  H      -4.990369     10.427891      2.923554
  H      -4.402141      3.523305      3.708684
  H      -6.572816      6.237526      0.811657
  H     -13.893962     -1.116890      2.072785
  H     -12.757155     -0.141862      1.084519
  H     -13.764645      0.655232      2.303194
  H     -11.796275      1.922018      1.805223
  H      -9.958862      3.568225      2.173212
  H      -6.501981      1.734351      7.261203
  H     -10.080236     -0.632547      4.822081
  N      -2.090104      1.950887      3.391594
  N      -1.558075      2.263257      2.267559
  H      -2.143287      2.835695      1.597328
  H      -0.841259      1.637460      1.886077
90
Coordinates from ORCA-job orca E -6724.620954598499
  N      -2.637183     -0.042286      5.439085
  Mo     -3.201662      1.824985      4.793326
  N      -4.687184      2.037008      6.247703
  C      -4.172929      2.729273      7.435037
  C      -2.770851      2.226385      7.755816
  N      -1.869216      2.139958      6.541464
  C      -0.935529      0.973149      6.692797
  C      -1.713594     -0.331857      6.509981
  C      -1.072758      3.402117      6.341075
  C      -1.997644      4.530906      5.897489
  N      -2.982340      3.887746      5.054655
  H      -1.014778     -1.143296      6.241438
  H      -2.250190     -0.642631      7.424005
  H      -0.187243      1.068377      5.897622
  H      -0.426534      1.024084      7.670265
  H      -2.483406      5.027012      6.752668
  H      -1.440436      5.304182      5.346296
  H      -0.528174      3.638563      7.269113
  H      -0.345441      3.185723      5.550164
  H      -4.810712      2.523831      8.308889
  H      -4.190476      3.817712      7.275999
  H      -2.852630      1.211174      8.159130
  H      -2.274596      2.855589      8.511175
  C      -4.927114      4.229477     -1.035035
  C      -4.457310      3.327707      0.084412
  O      -3.318087      3.484130      0.569520
  C      -5.373898      2.267215      0.572225
  C      -6.662875      2.084909      0.027745
  C      -7.499036      1.081510      0.502670
  C      -7.056136      0.255424      1.533992
  F      -7.885028     -0.708417      1.961418
  C      -5.791234      0.429043      2.137792
  C      -5.306848     -0.465091      3.222315
  O      -5.706020     -1.606113      3.402601
  N      -4.247126      0.060350      3.995248
  C      -3.576485     -0.740567      4.821887
  C      -4.970915      1.431680      1.618138
  C      -7.841905      9.782396     -1.109195
  C      -7.372724      8.454570     -0.564102
  O      -7.657957      7.398387     -1.129926
  C      -6.549745      8.448052      0.692395
  C      -6.092455      9.621748      1.322053
  C      -5.312965      9.543065      2.475740
  C      -4.982377      8.293880      3.002879
  F      -4.237244      8.286399      4.129303
  C      -5.418440      7.093200      2.407151
  C      -5.121253      5.697873      2.869640
  O      -5.719055      4.736852      2.354993
  N      -4.142951      5.584769      3.852250
  C      -3.830181      4.356528      4.185698
  C      -6.212038      7.214369      1.256252
  C     -13.202452     -0.243373      2.018368
  C     -12.137765     -0.488477      3.082787
  O     -12.156020     -1.510973      3.808069
  C     -11.051423      0.543450      3.237838
  C     -11.002856      1.737807      2.452732
  C      -9.968787      2.657424      2.635494
  C      -8.970612      2.371061      3.592505
  F      -7.984388      3.285635      3.755222
  C      -8.982168      1.199078      4.392552
  C      -7.959837      0.863857      5.448107
  O      -8.235757      0.116698      6.412888
  N      -6.679771      1.373436      5.224015
  C      -5.998829      1.708314      6.275315
  C     -10.048559      0.307061      4.203996
  H      -5.866629      4.752010     -0.772806
  H      -4.146974      4.962886     -1.260488
  H      -5.141699      3.640767     -1.941841
  H      -7.024226      2.731421     -0.772008
  H      -8.501259      0.927683      0.093185
  H      -3.777210     -1.813644      4.946027
  H      -3.967602      1.544122      2.023710
  H      -8.420818     10.334665     -0.351533
  H      -6.981073     10.415823     -1.378887
  H      -8.461843      9.612029     -1.999179
  H      -6.339345     10.603859      0.914643
  H      -4.952636     10.439074      2.985740
  H      -4.406636      3.505997      3.674618
  H      -6.582001      6.299884      0.791237
  H     -13.894087     -1.102150      2.020559
  H     -12.752558     -0.131743      1.000076
  H     -13.761420      0.703413      2.233444
  H     -11.779644      1.959666      1.701205
  H      -9.916847      3.594100      2.053215
  H      -6.493502      1.775470      7.255934
  H     -10.089808     -0.611186      4.820837
  N      -2.089808      1.912841      3.383472
  N      -1.583047      2.219381      2.248404
  H      -2.200779      2.756529      1.566544
  H      -0.877410      1.593813      1.861351
90
Coordinates from ORCA-job orca E -6724.621609940076
  N      -2.637244     -0.045003      5.479571
  Mo     -3.206795      1.796153      4.775531
  N      -4.688941      2.050114      6.227487
  C      -4.173602      2.780478      7.395847
  C      -2.769626      2.291125      7.730797
  N      -1.875032      2.170554      6.519983
  C      -0.937333      1.014676      6.708140
  C      -1.711037     -0.298288      6.560821
  C      -1.085994      3.424646      6.287092
  C      -2.016134      4.536019      5.813283
  N      -3.002348      3.865355      4.990081
  H      -1.011110     -1.115236      6.318195
  H      -2.247972     -0.582391      7.481482
  H      -0.192122      1.086031      5.911996
  H      -0.429544      1.095383      7.688083
  H      -2.500966      5.053434      6.656331
  H      -1.466402      5.297020      5.239972
  H      -0.540799      3.689818      7.209891
  H      -0.359279      3.190702      5.502213
  H      -4.805717      2.598682      8.276146
  H      -4.197980      3.863936      7.205943
  H      -2.849912      1.291097      8.164540
  H      -2.272156      2.942430      8.468671
  C      -5.011790      4.180146     -0.944398
  C      -4.499059      3.258981      0.140954
  O      -3.368843      3.432747      0.625095
  C      -5.400723      2.183167      0.621866
  C      -6.688711      1.974612      0.068324
  C      -7.506966      0.950261      0.529540
  C      -7.053512      0.131637      1.560608
  F      -7.877471     -0.848461      1.975638
  C      -5.794054      0.336122      2.179716
  C      -5.305402     -0.541283      3.273858
  O      -5.678326     -1.688534      3.459224
  N      -4.241262      0.007936      4.036416
  C      -3.568483     -0.768742      4.879481
  C      -4.991863      1.357461      1.668051
  C      -7.855569      9.931357     -1.017354
  C      -7.384249      8.585444     -0.515082
  O      -7.680919      7.548086     -1.106268
  C      -6.537436      8.539072      0.727845
  C      -6.069285      9.692976      1.383445
  C      -5.272184      9.578457      2.523660
  C      -4.935036      8.313552      3.012147
  F      -4.175128      8.274492      4.128724
  C      -5.381847      7.130581      2.390269
  C      -5.091735      5.720422      2.820526
  O      -5.696925      4.772031      2.268030
  N      -4.119237      5.570506      3.797238
  C      -3.854094      4.327944      4.118279
  C      -6.191029      7.288178      1.252132
  C     -13.165626     -0.240988      1.993402
  C     -12.117877     -0.463803      3.052880
  O     -12.174652     -1.422066      3.799964
  C     -11.017559      0.538676      3.188748
  C     -10.933749      1.684826      2.382764
  C      -9.886653      2.577719      2.547207
  C      -8.909729      2.308700      3.510688
  F      -7.896597      3.172871      3.662440
  C      -8.962006      1.195576      4.330567
  C      -7.969305      0.887901      5.404214
  O      -8.288311      0.208060      6.381242
  N      -6.684891      1.360782      5.216076
  C      -6.004009      1.725851      6.251617
  C     -10.042325      0.332697      4.154632
  H      -5.950232      4.683173     -0.643367
  H      -4.254842      4.928108     -1.175357
  H      -5.243423      3.613264     -1.855176
  H      -7.056904      2.614469     -0.731733
  H      -8.505496      0.774241      0.110723
  H      -3.760332     -1.843162      5.026888
  H      -3.993571      1.498470      2.082513
  H      -8.424794     10.465171     -0.240096
  H      -6.995243     10.567332     -1.276194
  H      -8.486828      9.789224     -1.905126
  H      -6.323166     10.687875      1.007870
  H      -4.904095     10.458856      3.053615
  H      -4.432341      3.481189      3.614556
  H      -6.570791      6.388659      0.767015
  H     -13.876604     -1.067072      2.004617
  H     -12.704630     -0.167717      1.007377
  H     -13.703806      0.697081      2.170840
  H     -11.691849      1.888858      1.630070
  H      -9.804137      3.473858      1.948976
  H      -6.507315      1.832504      7.215096
  H     -10.111726     -0.546224      4.790106
  N      -2.102978      1.851063      3.357384
  N      -1.630715      2.132390      2.221703
  H      -2.271869      2.625087      1.535909
  H      -0.932831      1.509377      1.847886
90
Coordinates from ORCA-job orca E -6724.618386385578
  N      -2.638781     -0.034451      5.445135
  Mo     -3.212278      1.820093      4.784098
  N      -4.699177      2.023155      6.236868
  C      -4.196135      2.722184      7.424952
  C      -2.789862      2.235409      7.746203
  N      -1.886923      2.154187      6.532523
  C      -0.945574      0.999215      6.692552
  C      -1.716202     -0.307305      6.519500
  C      -1.102119      3.419119      6.325363
  C      -2.035324      4.534452      5.876712
  N      -3.015233      3.879939      5.040740
  H      -1.019109     -1.113297      6.258303
  H      -2.250154     -0.609030      7.434066
  H      -0.195992      1.093269      5.895776
  H      -0.442246      1.055909      7.668558
  H      -2.524701      5.031670      6.729923
  H      -1.486805      5.309161      5.318746
  H      -0.560059      3.665650      7.251304
  H      -0.371669      3.205744      5.533319
  H      -4.834311      2.511032      8.299330
  H      -4.226558      3.810524      7.265191
  H      -2.864345      1.219800      8.153275
  H      -2.300346      2.869938      8.501410
  C      -4.990131      4.235210     -1.008279
  C      -4.530036      3.321539      0.076855
  O      -3.415894      3.489876      0.530689
  C      -5.432929      2.245288      0.581694
  C      -6.695275      2.045247      0.047157
  C      -7.501134      1.022197      0.524044
  C      -7.051023      0.198289      1.548010
  F      -7.842812     -0.778784      1.970398
  C      -5.813449      0.390594      2.147534
  C      -5.311379     -0.499250      3.223934
  O      -5.689693     -1.635851      3.410280
  N      -4.250665      0.041740      3.996505
  C      -3.564960     -0.745623      4.829566
  C      -5.026737      1.410997      1.626500
  C      -7.761365      9.825421     -1.099617
  C      -7.319495      8.494606     -0.544058
  O      -7.614988      7.442084     -1.098068
  C      -6.498528      8.483238      0.701503
  C      -6.028402      9.651296      1.317370
  C      -5.253030      9.569550      2.461469
  C      -4.938947      8.322690      2.992146
  F      -4.195121      8.315216      4.108741
  C      -5.389139      7.126987      2.410423
  C      -5.113535      5.734566      2.880768
  O      -5.713444      4.796588      2.371729
  N      -4.143711      5.597641      3.863577
  C      -3.865905      4.356197      4.176733
  C      -6.177659      7.252106      1.268077
  C     -13.165297     -0.270493      2.038535
  C     -12.106744     -0.515290      3.078253
  O     -12.138620     -1.503391      3.780517
  C     -11.023861      0.502679      3.245951
  C     -10.967095      1.679340      2.497744
  C      -9.946379      2.610454      2.672960
  C      -8.968712      2.351287      3.583298
  F      -8.009427      3.299533      3.715500
  C      -8.975594      1.167442      4.373875
  C      -7.963880      0.837330      5.409554
  O      -8.255103      0.123648      6.327084
  N      -6.682337      1.349786      5.203097
  C      -6.011758      1.690041      6.257450
  C     -10.033980      0.270852      4.188781
  H      -5.901822      4.753674     -0.716247
  H      -4.213734      4.977536     -1.250352
  H      -5.225263      3.649269     -1.906843
  H      -7.058555      2.688746     -0.751587
  H      -8.480069      0.850974      0.119530
  H      -3.754935     -1.817728      4.958588
  H      -4.039234      1.540873      2.026676
  H      -8.333606     10.389887     -0.353880
  H      -6.893138     10.442787     -1.369009
  H      -8.374674      9.660088     -1.984742
  H      -6.262862     10.631603      0.906593
  H      -4.882329     10.461300      2.960947
  H      -4.440914      3.515480      3.653768
  H      -6.556675      6.342090      0.810936
  H     -13.859840     -1.112552      2.020385
  H     -12.714529     -0.144745      1.048058
  H     -13.717178      0.645022      2.262188
  H     -11.733425      1.892511      1.771608
  H      -9.896598      3.547067      2.107788
  H      -6.516839      1.756307      7.241086
  H     -10.077895     -0.636730      4.782579
  N      -2.107921      1.927686      3.367946
  N      -1.621253      2.255241      2.215905
  H      -2.253612      2.784735      1.560985
  H      -0.894019      1.638395      1.807572
90
Coordinates from ORCA-job orca E -6724.614682379059
  N      -2.610183     -0.030879      5.457640
  Mo     -3.188336      1.825570      4.796840
  N      -4.684853      2.019337      6.243569
  C      -4.193483      2.712914      7.436652
  C      -2.785240      2.228950      7.760323
  N      -1.871398      2.155395      6.550118
  C      -0.925512      0.999197      6.709718
  C      -1.694415     -0.307618      6.529720
  C      -1.088650      3.427173      6.348902
  C      -2.024912      4.543032      5.901252
  N      -3.000241      3.888968      5.061321
  H      -0.996424     -1.114305      6.266642
  H      -2.231859     -0.612393      7.439743
  H      -0.168507      1.096109      5.915346
  H      -0.427830      1.052865      7.683210
  H      -2.520041      5.039504      6.753182
  H      -1.475159      5.320301      5.347073
  H      -0.551247      3.673304      7.275026
  H      -0.352909      3.216569      5.558388
  H      -4.839642      2.494371      8.306569
  H      -4.226761      3.802837      7.283436
  H      -2.858796      1.207646      8.161818
  H      -2.302582      2.860965      8.520398
  C      -5.007937      4.228068     -1.044765
  C      -4.539218      3.319020      0.043205
  O      -3.349482      3.484100      0.490848
  C      -5.449897      2.236401      0.556712
  C      -6.740582      2.019703      0.037400
  C      -7.540957      0.985817      0.529942
  C      -7.060127      0.171251      1.555881
  F      -7.841997     -0.815722      1.995857
  C      -5.798321      0.380635      2.141606
  C      -5.271163     -0.496554      3.225148
  O      -5.660630     -1.644231      3.413569
  N      -4.220129      0.049916      3.999929
  C      -3.531977     -0.741202      4.838618
  C      -5.012675      1.409376      1.603587
  C      -7.791668      9.804139     -1.089911
  C      -7.347259      8.474939     -0.536040
  O      -7.654296      7.421673     -1.085323
  C      -6.514462      8.465817      0.702725
  C      -6.037047      9.635040      1.314342
  C      -5.251671      9.556037      2.451867
  C      -4.935517      8.310938      2.979645
  F      -4.179975      8.303294      4.089561
  C      -5.391603      7.115262      2.402068
  C      -5.109842      5.727452      2.872848
  O      -5.712108      4.792303      2.379448
  N      -4.137546      5.604781      3.866703
  C      -3.851087      4.366306      4.194951
  C      -6.190254      7.236861      1.266453
  C     -13.202227     -0.213988      1.981685
  C     -12.142823     -0.461207      3.031623
  O     -12.172955     -1.472029      3.736185
  C     -11.048332      0.542951      3.219929
  C     -10.990483      1.716726      2.484832
  C      -9.955816      2.626073      2.684613
  C      -8.963000      2.346514      3.608181
  F      -8.000576      3.290258      3.748552
  C      -8.971414      1.163643      4.387903
  C      -7.952502      0.820074      5.435368
  O      -8.249939      0.043627      6.418350
  N      -6.663055      1.354985      5.194903
  C      -5.998160      1.687367      6.261820
  C     -10.042285      0.283929      4.181950
  H      -5.925347      4.759208     -0.739204
  H      -4.208596      4.960515     -1.281587
  H      -5.256788      3.634474     -1.959404
  H      -7.130568      2.654942     -0.761319
  H      -8.542320      0.798889      0.138074
  H      -3.718583     -1.813296      4.966699
  H      -4.005824      1.551302      1.992369
  H      -8.356789     10.373055     -0.337031
  H      -6.921799     10.418204     -1.369917
  H      -8.414768      9.637107     -1.970221
  H      -6.274098     10.613277      0.904932
  H      -4.874397     10.447940      2.948195
  H      -4.423228      3.524611      3.666288
  H      -6.573215      6.326183      0.812119
  H     -13.896731     -1.060514      1.957655
  H     -12.748971     -0.083845      0.992762
  H     -13.757706      0.700319      2.201501
  H     -11.767103      1.944123      1.750477
  H      -9.904568      3.556053      2.133122
  H      -6.507470      1.744797      7.255859
  H     -10.089069     -0.620771      4.765335
  N      -2.079757      1.945777      3.386718
  N      -1.578884      2.286189      2.217187
  H      -2.213215      2.835518      1.564856
  H      -0.831225      1.674544      1.797486
90
Coordinates from ORCA-job orca E -6724.620977234772
  N      -2.608821     -0.038590      5.470218
  Mo     -3.187938      1.806950      4.784555
  N      -4.685633      2.027577      6.226984
  C      -4.188336      2.741787      7.408387
  C      -2.781064      2.260655      7.744341
  N      -1.869526      2.166015      6.536694
  C      -0.921188      1.011849      6.712952
  C      -1.689200     -0.299475      6.549999
  C      -1.086494      3.432700      6.319010
  C      -2.023629      4.542062      5.856826
  N      -2.998777      3.875085      5.022965
  H      -0.986906     -1.112469      6.299220
  H      -2.228096     -0.591978      7.465494
  H      -0.166779      1.096745      5.920025
  H      -0.421498      1.082863      7.690134
  H      -2.518541      5.048543      6.701956
  H      -1.474136      5.312233      5.293077
  H      -0.548858      3.691983      7.244072
  H      -0.351490      3.212241      5.534147
  H      -4.831463      2.541473      8.280379
  H      -4.218441      3.828196      7.234834
  H      -2.856851      1.250407      8.164213
  H      -2.296175      2.904987      8.492993
  C      -5.018170      4.178575     -0.974374
  C      -4.528540      3.264114      0.109730
  O      -3.378564      3.412209      0.578478
  C      -5.422087      2.198207      0.594977
  C      -6.719770      1.991591      0.055369
  C      -7.527965      0.968817      0.530894
  C      -7.056803      0.150945      1.559679
  F      -7.865389     -0.830556      1.989740
  C      -5.779190      0.352810      2.160700
  C      -5.261738     -0.526142      3.248008
  O      -5.656053     -1.678526      3.440793
  N      -4.215437      0.019950      4.012721
  C      -3.533664     -0.761312      4.854431
  C      -4.985235      1.373459      1.637862
  C      -7.819049      9.915770     -1.063477
  C      -7.365610      8.569943     -0.543187
  O      -7.669335      7.528089     -1.127630
  C      -6.527820      8.528624      0.706267
  C      -6.053216      9.685759      1.357299
  C      -5.263322      9.576171      2.504745
  C      -4.940206      8.312354      3.004124
  F      -4.182979      8.275941      4.124576
  C      -5.393386      7.126918      2.386627
  C      -5.107204      5.719560      2.825580
  O      -5.723428      4.770743      2.280759
  N      -4.134621      5.582939      3.822361
  C      -3.851024      4.344049      4.150956
  C      -6.195904      7.279929      1.241717
  C     -13.210073     -0.239227      2.003315
  C     -12.149880     -0.475201      3.061209
  O     -12.188914     -1.482422      3.809775
  C     -11.047853      0.539357      3.203650
  C     -10.982640      1.717017      2.405414
  C      -9.930542      2.611696      2.583902
  C      -8.930052      2.312256      3.554826
  F      -7.925334      3.197894      3.707752
  C      -8.967607      1.174883      4.355467
  C      -7.953607      0.850395      5.415388
  O      -8.245813      0.140036      6.375585
  N      -6.668933      1.345599      5.186440
  C      -5.999384      1.697769      6.243028
  C     -10.048214      0.304788      4.173375
  H      -5.941910      4.699997     -0.679358
  H      -4.247984      4.904527     -1.197159
  H      -5.256172      3.606044     -1.880052
  H      -7.104546      2.629805     -0.742214
  H      -8.536782      0.791762      0.125575
  H      -3.721887     -1.835757      4.994328
  H      -3.975489      1.512856      2.038620
  H      -8.390679     10.463499     -0.292300
  H      -6.948859     10.541280     -1.324753
  H      -8.445349      9.770466     -1.956478
  H      -6.295630     10.678631      0.972309
  H      -4.889113     10.458677      3.030193
  H      -4.424728      3.499875      3.631204
  H      -6.577400      6.378727      0.757846
  H     -13.915204     -1.085860      2.014380
  H     -12.753449     -0.144379      0.994452
  H     -13.761501      0.708271      2.203531
  H     -11.756939      1.939031      1.652142
  H      -9.858822      3.529874      1.996612
  H      -6.509328      1.780945      7.221936
  H     -10.104284     -0.598559      4.801359
  N      -2.073359      1.893497      3.377800
  N      -1.581167      2.197467      2.237412
  H      -2.209108      2.717489      1.567624
  H      -0.858911      1.582985      1.865267
90
Coordinates from ORCA-job orca E -6724.616009993783
  N      -2.651085     -0.041098      5.440439
  Mo     -3.222568      1.807302      4.763284
  N      -4.718434      2.023849      6.204727
  C      -4.216670      2.732926      7.390751
  C      -2.811362      2.250961      7.725148
  N      -1.902630      2.160841      6.517668
  C      -0.958581      1.006478      6.688378
  C      -1.729455     -0.305596      6.522774
  C      -1.118386      3.425597      6.303925
  C      -2.051974      4.534970      5.845073
  N      -3.027818      3.871103      5.009207
  H      -1.028756     -1.116962      6.268000
  H      -2.268443     -0.600483      7.440616
  H      -0.206513      1.093900      5.896301
  H      -0.455944      1.073783      7.670873
  H      -2.544884      5.038457      6.692049
  H      -1.501592      5.305820      5.282488
  H      -0.578987      3.681108      7.231537
  H      -0.385111      3.207753      5.517894
  H      -4.857474      2.530509      8.262208
  H      -4.245063      3.819870      7.221081
  H      -2.888703      1.241855      8.141502
  H      -2.324900      2.893558      8.476991
  C      -4.936167      4.228482     -0.975572
  C      -4.450700      3.311476      0.112146
  O      -3.336910      3.447930      0.556199
  C      -5.364778      2.250107      0.605593
  C      -6.641086      2.075871      0.065847
  C      -7.473613      1.067413      0.531078
  C      -7.041639      0.229299      1.547205
  F      -7.869073     -0.738219      1.960542
  C      -5.786170      0.395413      2.148933
  C      -5.300289     -0.509163      3.216549
  O      -5.690995     -1.631487      3.410534
  N      -4.252287      0.022525      3.985758
  C      -3.575307     -0.756699      4.822395
  C      -4.970777      1.403527      1.638518
  C      -7.753346      9.914404     -1.076474
  C      -7.322212      8.572354     -0.540362
  O      -7.640282      7.525366     -1.103876
  C      -6.490903      8.539565      0.702257
  C      -6.001953      9.698376      1.332020
  C      -5.216371      9.595627      2.474791
  C      -4.911481      8.336165      2.990923
  F      -4.156359      8.310427      4.105154
  C      -5.381513      7.147915      2.393988
  C      -5.117568      5.741625      2.845629
  O      -5.741833      4.796735      2.320181
  N      -4.147678      5.590742      3.831912
  C      -3.877557      4.347233      4.140849
  C      -6.178998      7.295768      1.253150
  C     -13.193454     -0.360478      2.118191
  C     -12.129110     -0.568439      3.162245
  O     -12.156126     -1.493715      3.880607
  C     -11.049159      0.452140      3.275748
  C     -11.006250      1.612403      2.470671
  C      -9.983097      2.544255      2.604550
  C      -8.994118      2.307435      3.527894
  F      -8.017647      3.233037      3.642594
  C      -8.997589      1.158709      4.352454
  C      -7.974961      0.852298      5.396262
  O      -8.244132      0.141891      6.357279
  N      -6.704290      1.347692      5.168214
  C      -6.031525      1.695091      6.219485
  C     -10.053534      0.261223      4.207886
  H      -5.856186      4.750501     -0.656021
  H      -4.156249      4.966359     -1.228985
  H      -5.193468      3.647928     -1.878473
  H      -6.992220      2.731776     -0.725308
  H      -8.465108      0.918095      0.123698
  H      -3.767056     -1.826200      4.960211
  H      -3.974217      1.514219      2.038487
  H      -8.313363     10.476247     -0.318668
  H      -6.878800     10.526360     -1.348136
  H      -8.377983      9.764122     -1.959465
  H      -6.228424     10.688118      0.934366
  H      -4.830897     10.480274      2.983388
  H      -4.454677      3.511023      3.616726
  H      -6.570900      6.394109      0.783702
  H     -13.885535     -1.197784      2.133448
  H     -12.756051     -0.270905      1.115988
  H     -13.742003      0.569532      2.317576
  H     -11.780317      1.801565      1.740395
  H      -9.935156      3.463045      2.002104
  H      -6.534016      1.770953      7.193941
  H     -10.086434     -0.631194      4.842542
  N      -2.105906      1.894064      3.358646
  N      -1.614745      2.188822      2.243371
  H      -2.239166      2.705322      1.561897
  H      -0.905945      1.573585      1.884311
90
Coordinates from ORCA-job orca E -6724.614436465552
  N      -2.640752     -0.038813      5.457368
  Mo     -3.219099      1.807082      4.775556
  N      -4.709267      2.025056      6.220261
  C      -4.211879      2.736944      7.402779
  C      -2.805899      2.256048      7.731896
  N      -1.899059      2.164535      6.522469
  C      -0.954169      1.013126      6.693537
  C      -1.719021     -0.300397      6.534130
  C      -1.119487      3.430472      6.302347
  C      -2.055466      4.537556      5.841817
  N      -3.032701      3.872007      5.011600
  H      -1.020421     -1.108826      6.280256
  H      -2.252965     -0.594046      7.452668
  H      -0.204418      1.102388      5.898616
  H      -0.450474      1.082269      7.671193
  H      -2.546417      5.043388      6.688189
  H      -1.509074      5.306724      5.275740
  H      -0.579082      3.688724      7.226377
  H      -0.388578      3.210003      5.515233
  H      -4.852349      2.534246      8.275973
  H      -4.243213      3.822947      7.231705
  H      -2.879027      1.246039      8.149296
  H      -2.318996      2.899784      8.480630
  C      -4.996679      4.234468     -0.979563
  C      -4.497513      3.313710      0.105851
  O      -3.333395      3.472157      0.550918
  C      -5.404663      2.228865      0.606933
  C      -6.675423      2.031428      0.076414
  C      -7.487070      1.004347      0.547784
  C      -7.036962      0.175262      1.563145
  F      -7.837082     -0.803810      1.983795
  C      -5.797130      0.363271      2.159163
  C      -5.304788     -0.528292      3.232220
  O      -5.696696     -1.665618      3.418724
  N      -4.244976      0.022134      4.006357
  C      -3.560629     -0.756547      4.847501
  C      -4.999125      1.385916      1.641563
  C      -7.765960      9.884165     -1.053641
  C      -7.338521      8.546080     -0.512258
  O      -7.666812      7.502135     -1.060493
  C      -6.494924      8.516326      0.713422
  C      -5.995451      9.673743      1.321975
  C      -5.200462      9.576345      2.447561
  C      -4.896980      8.323778      2.967482
  F      -4.131547      8.301718      4.066323
  C      -5.376763      7.137996      2.393383
  C      -5.114127      5.742750      2.857519
  O      -5.727170      4.814388      2.374847
  N      -4.144569      5.596907      3.834843
  C      -3.882700      4.351288      4.147494
  C      -6.183449      7.278903      1.268499
  C     -13.166538     -0.289437      2.031565
  C     -12.110858     -0.522286      3.085326
  O     -12.125792     -1.552654      3.821718
  C     -11.029915      0.495966      3.241360
  C     -10.976617      1.643806      2.490862
  C      -9.956262      2.563001      2.659592
  C      -8.975485      2.325201      3.562157
  F      -8.013301      3.254050      3.695940
  C      -8.980304      1.172620      4.351556
  C      -7.965165      0.855422      5.386057
  O      -8.248110      0.149550      6.305185
  N      -6.686259      1.357032      5.182021
  C      -6.020860      1.697996      6.238684
  C     -10.040357      0.286914      4.172401
  H      -5.916515      4.738618     -0.653126
  H      -4.224346      4.986403     -1.228190
  H      -5.244803      3.661733     -1.889951
  H      -7.042353      2.679988     -0.714413
  H      -8.472997      0.835906      0.147164
  H      -3.746728     -1.828033      4.988717
  H      -4.009088      1.512461      2.039150
  H      -8.311920     10.455591     -0.296877
  H      -6.893196     10.485541     -1.338671
  H      -8.398559      9.731772     -1.924860
  H      -6.221982     10.658182      0.919983
  H      -4.805749     10.459290      2.940842
  H      -4.462854      3.519855      3.623618
  H      -6.583732      6.378081      0.815001
  H     -13.855401     -1.131768      2.017643
  H     -12.718863     -0.171695      1.043870
  H     -13.720242      0.624410      2.244172
  H     -11.745541      1.841064      1.769882
  H      -9.909311      3.474536      2.095495
  H      -6.523289      1.775987      7.214212
  H     -10.079960     -0.598634      4.768908
  N      -2.115627      1.900790      3.363644
  N      -1.631517      2.212690      2.211944
  H      -2.269958      2.729443      1.541634
  H      -0.899263      1.608296      1.820989
90
Coordinates from ORCA-job orca E -6724.619538855572
  N      -2.598576     -0.033326      5.481386
  Mo     -3.189597      1.806053      4.789119
  N      -4.682871      2.022316      6.234890
  C      -4.187671      2.742539      7.412203
  C      -2.776677      2.270492      7.744641
  N      -1.868292      2.177836      6.534833
  C      -0.914141      1.030139      6.711809
  C      -1.675308     -0.285746      6.557865
  C      -1.093714      3.447875      6.308351
  C      -2.038232      4.549974      5.843324
  N      -3.013285      3.875703      5.016232
  H      -0.971491     -1.094851      6.307929
  H      -2.209091     -0.577132      7.476035
  H      -0.162751      1.117573      5.915691
  H      -0.412107      1.106484      7.685680
  H      -2.532108      5.057886      6.687776
  H      -1.495195      5.319826      5.273511
  H      -0.554640      3.713264      7.229913
  H      -0.360844      3.227092      5.521645
  H      -4.827136      2.540756      8.287370
  H      -4.225449      3.828275      7.235221
  H      -2.844454      1.260297      8.168167
  H      -2.293260      2.920044      8.489328
  C      -5.089650      4.189691     -0.964707
  C      -4.589834      3.271122      0.109905
  O      -3.435010      3.433845      0.560485
  C      -5.475240      2.184583      0.605611
  C      -6.765114      1.963499      0.079337
  C      -7.553652      0.925140      0.562149
  C      -7.065226      0.108657      1.584896
  F      -7.847620     -0.882756      2.020688
  C      -5.800941      0.322990      2.174410
  C      -5.271032     -0.553194      3.257806
  O      -5.658779     -1.716609      3.449812
  N      -4.211575      0.012205      4.026439
  C      -3.518781     -0.763518      4.871835
  C      -5.028510      1.355650      1.645102
  C      -7.774531      9.932631     -1.059532
  C      -7.339271      8.585733     -0.530373
  O      -7.660784      7.546418     -1.102400
  C      -6.497971      8.541918      0.712507
  C      -6.005613      9.695501      1.349638
  C      -5.213161      9.584767      2.488990
  C      -4.905532      8.323626      2.994530
  F      -4.143607      8.286755      4.107078
  C      -5.377546      7.142268      2.392837
  C      -5.107803      5.740144      2.841946
  O      -5.726515      4.807764      2.320497
  N      -4.135588      5.594804      3.829187
  C      -3.867281      4.349583      4.150666
  C      -6.181471      7.295702      1.254788
  C     -13.188414     -0.248892      1.946593
  C     -12.146075     -0.482782      3.016058
  O     -12.198364     -1.500719      3.762058
  C     -11.041088      0.527225      3.183424
  C     -10.958094      1.701812      2.401536
  C      -9.909670      2.602573      2.594700
  C      -8.924758      2.310765      3.565477
  F      -7.929397      3.208585      3.728644
  C      -8.967694      1.155915      4.366320
  C      -7.963475      0.824890      5.431953
  O      -8.279755      0.084730      6.415909
  N      -6.667043      1.331092      5.207231
  C      -5.995821      1.688244      6.259150
  C     -10.051724      0.283008      4.167289
  H      -6.007637      4.694908     -0.657602
  H      -4.328655      4.929446     -1.192051
  H      -5.326198      3.622013     -1.868652
  H      -7.160944      2.600609     -0.713951
  H      -8.554399      0.735691      0.167800
  H      -3.700375     -1.839898      5.018656
  H      -4.025477      1.504055      2.037385
  H      -8.335087     10.495032     -0.291353
  H      -6.897410     10.541811     -1.329128
  H      -8.405463      9.788967     -1.947315
  H      -6.235746     10.686854      0.959257
  H      -4.824229     10.464417      3.003531
  H      -4.445808      3.514612      3.629278
  H      -6.575440      6.397123      0.780600
  H     -13.894321     -1.091255      1.936266
  H     -12.719678     -0.147235      0.959574
  H     -13.738876      0.681806      2.139925
  H     -11.719641      1.923365      1.645361
  H      -9.830428      3.523596      2.016935
  H      -6.500523      1.772978      7.241143
  H     -10.119987     -0.618391      4.782072
  N      -2.081759      1.900278      3.371500
  N      -1.593833      2.218329      2.198197
  H      -2.235057      2.741326      1.530858
  H      -0.850125      1.609583      1.800929
90
Coordinates from ORCA-job orca E -6724.615935896168
  N      -2.615749     -0.034287      5.459922
  Mo     -3.200913      1.807808      4.777424
  N      -4.702275      2.017286      6.217011
  C      -4.208527      2.730023      7.402968
  C      -2.799570      2.256551      7.739292
  N      -1.885143      2.171605      6.532711
  C      -0.932067      1.021354      6.705332
  C      -1.696090     -0.294085      6.540224
  C      -1.107959      3.444123      6.317265
  C      -2.050446      4.547957      5.856281
  N      -3.022288      3.876701      5.020794
  H      -0.991741     -1.101864      6.284553
  H      -2.233215     -0.591244      7.455625
  H      -0.177474      1.113468      5.912779
  H      -0.431649      1.092066      7.684530
  H      -2.548174      5.050798      6.702358
  H      -1.503811      5.321652      5.292377
  H      -0.571772      3.703983      7.243871
  H      -0.371633      3.228528      5.531398
  H      -4.851098      2.523039      8.274122
  H      -4.243531      3.817013      7.233023
  H      -2.870577      1.244970      8.156011
  H      -2.318373      2.902059      8.490653
  C      -5.006684      4.202072     -0.986384
  C      -4.517149      3.288857      0.093188
  O      -3.341937      3.438303      0.541530
  C      -5.424416      2.213834      0.590583
  C      -6.727342      2.001004      0.054978
  C      -7.533147      0.972797      0.532063
  C      -7.055000      0.153143      1.557466
  F      -7.858681     -0.835216      1.984116
  C      -5.775682      0.359941      2.156164
  C      -5.247193     -0.520663      3.235952
  O      -5.601155     -1.643726      3.448296
  N      -4.215885      0.019429      3.999001
  C      -3.534214     -0.753148      4.840533
  C      -4.985322      1.385898      1.630037
  C      -7.730826      9.948626     -1.080844
  C      -7.312911      8.602213     -0.543536
  O      -7.638344      7.557269     -1.113395
  C      -6.481492      8.561407      0.702992
  C      -5.983586      9.716834      1.339928
  C      -5.198402      9.606093      2.487063
  C      -4.903060      8.342733      2.999935
  F      -4.148466      8.307590      4.118338
  C      -5.382745      7.159027      2.396190
  C      -5.131599      5.749769      2.844712
  O      -5.770413      4.806261      2.298324
  N      -4.153640      5.596584      3.838695
  C      -3.875558      4.352508      4.152494
  C      -6.178772      7.314268      1.251419
  C     -13.229469     -0.318041      2.059860
  C     -12.153538     -0.541239      3.099137
  O     -12.164185     -1.488512      3.807657
  C     -11.069597      0.467565      3.237153
  C     -11.034185      1.643983      2.447668
  C     -10.001056      2.561582      2.611596
  C      -8.990693      2.295793      3.551893
  F      -8.012769      3.229030      3.678706
  C      -8.986174      1.131252      4.362779
  C      -7.952251      0.822934      5.402000
  O      -8.212879      0.101951      6.350205
  N      -6.681474      1.331188      5.169768
  C      -6.014660      1.684117      6.228711
  C     -10.046609      0.240590      4.196648
  H      -5.937820      4.725500     -0.652284
  H      -4.209423      4.938209     -1.225553
  H      -5.268743      3.615850     -1.907162
  H      -7.110854      2.641346     -0.740724
  H      -8.541016      0.790869      0.128911
  H      -3.718128     -1.817954      4.981458
  H      -3.968824      1.527171      2.022330
  H      -8.291170     10.515549     -0.322773
  H      -6.848068     10.554701     -1.348829
  H      -8.355324      9.803272     -1.968611
  H      -6.202462     10.709162      0.945262
  H      -4.806642     10.487503      3.000433
  H      -4.453162      3.517915      3.625819
  H      -6.576113      6.415658      0.776986
  H     -13.915866     -1.176671      2.077186
  H     -12.793836     -0.208964      1.028960
  H     -13.793724      0.628429      2.284719
  H     -11.822993      1.853255      1.710133
  H      -9.954938      3.490442      2.027689
  H      -6.524347      1.760223      7.208891
  H     -10.077750     -0.660632      4.816597
  N      -2.084954      1.902893      3.370426
  N      -1.584853      2.202402      2.237657
  H      -2.210510      2.718208      1.553995
  H      -0.854235      1.589015      1.876941
90
Coordinates from ORCA-job orca E -6724.619082897456
  N      -2.636816     -0.038957      5.456990
  Mo     -3.219107      1.799060      4.761982
  N      -4.716866      2.021046      6.199840
  C      -4.222379      2.743274      7.380566
  C      -2.814832      2.271394      7.720172
  N      -1.903494      2.175036      6.513263
  C      -0.953084      1.027070      6.693418
  C      -1.715251     -0.288673      6.539405
  C      -1.127067      3.442318      6.287182
  C      -2.066197      4.541700      5.818647
  N      -3.038390      3.865944      4.988608
  H      -1.012808     -1.100006      6.292489
  H      -2.252260     -0.575192      7.458961
  H      -0.201377      1.111981      5.900704
  H      -0.452710      1.105434      7.673056
  H      -2.561481      5.051407      6.660901
  H      -1.520416      5.309496      5.248856
  H      -0.589922      3.709374      7.211673
  H      -0.392577      3.219790      5.503334
  H      -4.864284      2.544678      8.253101
  H      -4.256665      3.828179      7.201149
  H      -2.886365      1.265317      8.145934
  H      -2.332548      2.923326      8.466091
  C      -4.989563      4.211515     -0.927629
  C      -4.495115      3.283030      0.138737
  O      -3.392896      3.415147      0.574069
  C      -5.389305      2.214308      0.623810
  C      -6.664852      2.026066      0.084738
  C      -7.482492      1.005062      0.546746
  C      -7.038541      0.169003      1.559138
  F      -7.854038     -0.807766      1.971897
  C      -5.782575      0.350724      2.161280
  C      -5.288758     -0.545362      3.231737
  O      -5.685146     -1.684956      3.423753
  N      -4.238132      0.004074      4.000323
  C      -3.556695     -0.767523      4.843515
  C      -4.979162      1.369793      1.651059
  C      -7.744600      9.974222     -1.053554
  C      -7.325667      8.624913     -0.525850
  O      -7.663530      7.584913     -1.088266
  C      -6.481016      8.575857      0.705380
  C      -5.972652      9.726005      1.331834
  C      -5.175686      9.609012      2.464080
  C      -4.879377      8.344006      2.973286
  F      -4.112505      8.305117      4.078224
  C      -5.369476      7.163950      2.380270
  C      -5.118216      5.754057      2.828914
  O      -5.756639      4.819911      2.312810
  N      -4.147683      5.591954      3.811852
  C      -3.890167      4.343908      4.119854
  C      -6.176853      7.325928      1.249337
  C     -13.185159     -0.342852      2.081675
  C     -12.125166     -0.558394      3.126046
  O     -12.144338     -1.531161      3.856937
  C     -11.042206      0.458961      3.250446
  C     -10.989549      1.612132      2.464657
  C      -9.962080      2.530278      2.613376
  C      -8.977225      2.288073      3.532371
  F      -8.004629      3.209653      3.654691
  C      -8.989765      1.148684      4.335461
  C      -7.970006      0.835624      5.378136
  O      -8.250380      0.115853      6.342543
  N      -6.695110      1.336399      5.156613
  C      -6.029480      1.688968      6.211038
  C     -10.049166      0.261690      4.179576
  H      -5.905739      4.720135     -0.597583
  H      -4.227428      4.953944     -1.169232
  H      -5.242781      3.645967     -1.831521
  H      -7.028838      2.680265     -0.702086
  H      -8.475689      0.844398      0.141789
  H      -3.742419     -1.841690      4.989832
  H      -3.982297      1.493435      2.049551
  H      -8.288427     10.539354     -0.289521
  H      -6.867582     10.576591     -1.332436
  H      -8.378862      9.835385     -1.929042
  H      -6.192795     10.720046      0.940199
  H      -4.774837     10.486624      2.969807
  H      -4.471408      3.514523      3.595883
  H      -6.584091      6.431196      0.781750
  H     -13.880315     -1.181386      2.088730
  H     -12.742357     -0.244391      1.085081
  H     -13.733754      0.583070      2.286220
  H     -11.763978      1.809809      1.734475
  H      -9.907867      3.444539      2.026569
  H      -6.537870      1.768529      7.185128
  H     -10.087277     -0.630016      4.802970
  N      -2.106499      1.880858      3.358263
  N      -1.624744      2.170654      2.242392
  H      -2.244872      2.678307      1.567727
  H      -0.907781      1.564840      1.886428
90
Coordinates from ORCA-job orca E -6724.617391660865
  N      -2.604178     -0.031947      5.483490
  Mo     -3.201432      1.802101      4.785447
  N      -4.693878      2.018368      6.230951
  C      -4.200843      2.742314      7.405356
  C      -2.787834      2.276362      7.737138
  N      -1.879669      2.183816      6.527046
  C      -0.921747      1.040542      6.706047
  C      -1.678135     -0.278057      6.559082
  C      -1.110025      3.455269      6.294079
  C      -2.058620      4.552082      5.826302
  N      -3.033124      3.872891      5.003025
  H      -0.972619     -1.085831      6.310249
  H      -2.209045     -0.567404      7.480408
  H      -0.171991      1.128365      5.909004
  H      -0.418563      1.122798      7.678679
  H      -2.552642      5.061884      6.668895
  H      -1.518653      5.320619      5.252670
  H      -0.570809      3.725807      7.213718
  H      -0.377719      3.233523      5.507709
  H      -4.839049      2.540474      8.281404
  H      -4.242454      3.827362      7.225965
  H      -2.850740      1.266869      8.163067
  H      -2.306259      2.929833      8.479237
  C      -5.115270      4.190747     -0.951775
  C      -4.595070      3.270124      0.124140
  O      -3.415882      3.431233      0.571640
  C      -5.478007      2.177706      0.618672
  C      -6.754853      1.957291      0.094388
  C      -7.539783      0.915808      0.572975
  C      -7.054590      0.098534      1.590049
  F      -7.829043     -0.893640      2.022241
  C      -5.805322      0.309917      2.176619
  C      -5.278994     -0.569213      3.255114
  O      -5.682250     -1.744464      3.436247
  N      -4.217183      0.004744      4.027245
  C      -3.520806     -0.766503      4.877599
  C      -5.034084      1.344077      1.651867
  C      -7.746701      9.953888     -1.050823
  C      -7.328193      8.603799     -0.515903
  O      -7.666369      7.569816     -1.076029
  C      -6.480739      8.553778      0.718166
  C      -5.971732      9.701912      1.341477
  C      -5.176048      9.587356      2.471359
  C      -4.881374      8.326976      2.981953
  F      -4.114297      8.287679      4.085990
  C      -5.369700      7.150078      2.394919
  C      -5.111979      5.751753      2.854269
  O      -5.724611      4.836306      2.362238
  N      -4.144177      5.599980      3.828650
  C      -3.887322      4.351085      4.141957
  C      -6.176761      7.307297      1.265043
  C     -13.165177     -0.274969      1.956169
  C     -12.121779     -0.517189      3.027438
  O     -12.177959     -1.543880      3.766501
  C     -11.024455      0.511308      3.191883
  C     -10.952153      1.693849      2.415599
  C      -9.915646      2.606058      2.604906
  C      -8.934956      2.318796      3.562456
  F      -7.953658      3.222550      3.725258
  C      -8.967904      1.159112      4.354617
  C      -7.963494      0.818530      5.417795
  O      -8.269175      0.096065      6.354076
  N      -6.671851      1.326707      5.204997
  C      -6.004576      1.683569      6.256400
  C     -10.044464      0.276845      4.156032
  H      -6.034064      4.689455     -0.630118
  H      -4.357113      4.936348     -1.186902
  H      -5.361692      3.624493     -1.860131
  H      -7.150894      2.596238     -0.695622
  H      -8.534019      0.726638      0.179557
  H      -3.699579     -1.844925      5.031183
  H      -4.035725      1.490321      2.042322
  H      -8.293937     10.529916     -0.283698
  H      -6.864316     10.546147     -1.328702
  H      -8.383916      9.814918     -1.932814
  H      -6.192078     10.693327      0.946561
  H      -4.773330     10.463530      2.976128
  H      -4.472255      3.524622      3.619440
  H      -6.583528      6.412523      0.799319
  H     -13.863780     -1.115636      1.936350
  H     -12.700885     -0.162841      0.978501
  H     -13.716999      0.644253      2.154609
  H     -11.713440      1.915834      1.664492
  H      -9.849337      3.535834      2.027595
  H      -6.508467      1.769043      7.236298
  H     -10.102007     -0.633441      4.769407
  N      -2.097293      1.894628      3.368087
  N      -1.616346      2.213450      2.190451
  H      -2.261082      2.736793      1.529053
  H      -0.868496      1.613834      1.787849
90
Coordinates from ORCA-job orca E -6724.616925882538
  N      -2.602173     -0.034502      5.473954
  Mo     -3.198613      1.796525      4.773111
  N      -4.699199      2.013388      6.208811
  C      -4.207325      2.741153      7.385285
  C      -2.797078      2.279064      7.729124
  N      -1.884217      2.185728      6.525261
  C      -0.924137      1.044379      6.710527
  C      -1.679569     -0.276018      6.558881
  C      -1.115904      3.458473      6.296511
  C      -2.066964      4.551432      5.823474
  N      -3.035297      3.867182      4.994703
  H      -0.971566     -1.080265      6.315136
  H      -2.214429     -0.564987      7.475750
  H      -0.170768      1.132468      5.917100
  H      -0.424366      1.128717      7.689361
  H      -2.566954      5.059708      6.664014
  H      -1.526467      5.322029      5.251499
  H      -0.581513      3.731379      7.220872
  H      -0.378674      3.239590      5.513541
  H      -4.847038      2.541469      8.258746
  H      -4.248663      3.825037      7.201649
  H      -2.861546      1.273044      8.159000
  H      -2.320452      2.935718      8.472523
  C      -5.071838      4.195294     -0.956706
  C      -4.567535      3.275781      0.106543
  O      -3.386001      3.436257      0.535254
  C      -5.458114      2.190932      0.618669
  C      -6.751358      1.971850      0.100889
  C      -7.541795      0.934314      0.588487
  C      -7.051272      0.113322      1.607080
  F      -7.839141     -0.881105      2.043525
  C      -5.781897      0.323092      2.187366
  C      -5.240110     -0.557172      3.259383
  O      -5.569972     -1.671421      3.480235
  N      -4.206234     -0.009270      4.014751
  C      -3.514633     -0.769861      4.859540
  C      -5.010988      1.358048      1.655480
  C      -7.705820     10.004347     -1.071355
  C      -7.288119      8.650210     -0.550319
  O      -7.605552      7.619681     -1.142474
  C      -6.466620      8.588281      0.709720
  C      -5.978238      9.731297      1.375194
  C      -5.203732      9.601786      2.528949
  C      -4.909546      8.332530      3.020923
  F      -4.164017      8.279378      4.146051
  C      -5.379235      7.160923      2.389825
  C      -5.122183      5.747252      2.815777
  O      -5.754099      4.812066      2.247208
  N      -4.151716      5.589547      3.815401
  C      -3.889467      4.342130      4.127357
  C      -6.165049      7.334416      1.238669
  C     -13.237079     -0.286929      2.017232
  C     -12.177968     -0.513094      3.077574
  O     -12.217952     -1.509213      3.839654
  C     -11.066562      0.480422      3.212962
  C     -10.985875      1.618345      2.420278
  C      -9.930666      2.513635      2.577101
  C      -8.940488      2.253461      3.525187
  F      -7.932767      3.150785      3.646234
  C      -8.977871      1.120593      4.350984
  C      -7.962924      0.811899      5.405852
  O      -8.259375      0.096894      6.394847
  N      -6.675579      1.308505      5.169638
  C      -6.012452      1.677401      6.223296
  C     -10.063809      0.253459      4.185625
  H      -5.977206      4.702733     -0.634287
  H      -4.308762      4.934380     -1.198070
  H      -5.327498      3.627895     -1.850152
  H      -7.145890      2.611486     -0.691234
  H      -8.543511      0.746637      0.198013
  H      -3.691687     -1.834687      5.011533
  H      -4.006426      1.503044      2.039549
  H      -8.281253     10.560980     -0.306413
  H      -6.815301     10.611838     -1.317296
  H      -8.323727      9.873445     -1.974711
  H      -6.197116     10.729297      0.995988
  H      -4.818201     10.473771      3.064343
  H      -4.469670      3.512665      3.602160
  H      -6.555167      6.444936      0.741706
  H     -13.941516     -1.134938      2.039414
  H     -12.783159     -0.202656      0.997539
  H     -13.786306      0.666737      2.214575
  H     -11.752390      1.816121      1.683591
  H      -9.850122      3.407175      1.989259
  H      -6.526770      1.766543      7.199903
  H     -10.130789     -0.617039      4.808433
  N      -2.083184      1.888742      3.358683
  N      -1.585870      2.196264      2.191932
  H      -2.223953      2.721207      1.516889
  H      -0.838964      1.581403      1.814542
90
Coordinates from ORCA-job orca E -6724.617984924239
  N      -2.609569     -0.037079      5.471227
  Mo     -3.206407      1.795032      4.768479
  N      -4.704863      2.012744      6.208718
  C      -4.215398      2.743128      7.385988
  C      -2.803059      2.281973      7.724470
  N      -1.891129      2.187246      6.516447
  C      -0.930906      1.044416      6.699313
  C      -1.686333     -0.278705      6.551547
  C      -1.123441      3.461382      6.283440
  C      -2.071889      4.553912      5.811946
  N      -3.042228      3.868694      4.985212
  H      -0.978698     -1.089155      6.306188
  H      -2.222211     -0.566030      7.473114
  H      -0.179930      1.132159      5.904762
  H      -0.429309      1.129737      7.677195
  H      -2.569773      5.064636      6.652786
  H      -1.531065      5.323596      5.237906
  H      -0.587062      3.735616      7.205852
  H      -0.388132      3.239904      5.499450
  H      -4.855828      2.543011      8.260326
  H      -4.257672      3.827904      7.202810
  H      -2.865755      1.275975      8.154096
  H      -2.323985      2.940565      8.466722
  C      -5.034161      4.190974     -0.928162
  C      -4.532893      3.263361      0.134374
  O      -3.402232      3.411314      0.571584
  C      -5.423758      2.175477      0.623214
  C      -6.717359      1.958877      0.088353
  C      -7.520795      0.920472      0.558855
  C      -7.052449      0.095231      1.576479
  F      -7.856129     -0.897772      1.999650
  C      -5.780721      0.304738      2.174347
  C      -5.263389     -0.575558      3.251587
  O      -5.649661     -1.726439      3.448936
  N      -4.212241     -0.008411      4.016698
  C      -3.523103     -0.773513      4.860179
  C      -4.990877      1.339344      1.653669
  C      -7.718690     10.009459     -1.055283
  C      -7.306781      8.656562     -0.532976
  O      -7.639965      7.618268     -1.107889
  C      -6.474108      8.599823      0.707662
  C      -5.971799      9.747487      1.351188
  C      -5.185340      9.622369      2.492053
  C      -4.893848      8.352468      2.992544
  F      -4.136641      8.304947      4.105918
  C      -5.378554      7.175502      2.382240
  C      -5.130379      5.760021      2.818375
  O      -5.773471      4.818970      2.272065
  N      -4.157004      5.594645      3.810251
  C      -3.898291      4.344406      4.119201
  C      -6.175053      7.345424      1.243255
  C     -13.204023     -0.308727      2.040026
  C     -12.142732     -0.527648      3.080491
  O     -12.167211     -1.462149      3.784053
  C     -11.051564      0.471864      3.223198
  C     -10.995067      1.635679      2.439831
  C      -9.959609      2.547012      2.607678
  C      -8.967490      2.286651      3.545630
  F      -7.989661      3.215061      3.682715
  C      -8.977604      1.124755      4.352926
  C      -7.955301      0.808379      5.393288
  O      -8.227968      0.091914      6.338602
  N      -6.681672      1.314282      5.171236
  C      -6.015649      1.673910      6.224541
  C     -10.043261      0.242868      4.181084
  H      -5.962777      4.695503     -0.590404
  H      -4.266646      4.947178     -1.164508
  H      -5.283039      3.617728     -1.841196
  H      -7.099654      2.604029     -0.700258
  H      -8.520018      0.738157      0.157544
  H      -3.699875     -1.847342      5.010991
  H      -3.985805      1.484677      2.048062
  H      -8.270379     10.569189     -0.293008
  H      -6.836136     10.613596     -1.320021
  H      -8.343815      9.876617     -1.938939
  H      -6.188412     10.744273      0.966384
  H      -4.789039     10.496596      3.010638
  H      -4.481021      3.515754      3.594950
  H      -6.576298      6.453390      0.761636
  H     -13.903038     -1.149554      2.043971
  H     -12.759200     -0.204619      1.040344
  H     -13.752679      0.619615      2.249656
  H     -11.773730      1.846951      1.698500
  H      -9.902013      3.469905      2.025520
  H      -6.521649      1.754973      7.201202
  H     -10.086702     -0.653261      4.797946
  N      -2.098368      1.883042      3.358444
  N      -1.616111      2.174630      2.230380
  H      -2.244612      2.682121      1.552892
  H      -0.888830      1.572652      1.870213
90
Coordinates from ORCA-job orca E -6724.620184940264
  N      -2.606862     -0.038111      5.481424
  Mo     -3.203998      1.791375      4.775440
  N      -4.708182      2.010505      6.208119
  C      -4.222406      2.741249      7.384108
  C      -2.810954      2.281218      7.728607
  N      -1.894788      2.185995      6.522603
  C      -0.934682      1.045240      6.709749
  C      -1.684347     -0.275088      6.561600
  C      -1.128596      3.460521      6.288449
  C      -2.080593      4.550226      5.813203
  N      -3.048525      3.862683      4.988656
  H      -0.976135     -1.079548      6.318975
  H      -2.216072     -0.561675      7.479436
  H      -0.182382      1.131536      5.915773
  H      -0.437854      1.132120      7.684209
  H      -2.579736      5.061452      6.652168
  H      -1.542436      5.319508      5.239301
  H      -0.594870      3.737841      7.209386
  H      -0.391807      3.239309      5.505722
  H      -4.865285      2.541426      8.257558
  H      -4.266361      3.825105      7.199869
  H      -2.874918      1.274081      8.159474
  H      -2.337154      2.939505      8.472190
  C      -5.100817      4.175077     -0.915056
  C      -4.574840      3.245220      0.147331
  O      -3.428833      3.377004      0.582265
  C      -5.462534      2.176235      0.636197
  C      -6.747817      1.972599      0.102960
  C      -7.531605      0.943438      0.563857
  C      -7.042717      0.118746      1.573269
  F      -7.818569     -0.865954      1.986302
  C      -5.783823      0.315239      2.170028
  C      -5.249769     -0.575479      3.240346
  O      -5.629378     -1.738860      3.417457
  N      -4.207605     -0.017174      4.014810
  C      -3.511410     -0.776612      4.874994
  C      -5.016403      1.342188      1.662951
  C      -7.719801     10.002878     -1.048493
  C      -7.315379      8.646746     -0.514917
  O      -7.664003      7.613978     -1.069555
  C      -6.468609      8.588124      0.713299
  C      -5.953483      9.730485      1.333298
  C      -5.159665      9.606670      2.460409
  C      -4.872035      8.342290      2.971327
  F      -4.105359      8.297412      4.071782
  C      -5.365773      7.169435      2.384917
  C      -5.114759      5.765055      2.838099
  O      -5.733589      4.855445      2.339693
  N      -4.151359      5.596976      3.813419
  C      -3.903898      4.343721      4.123037
  C      -6.171584      7.337499      1.258852
  C     -13.165561     -0.305487      2.034484
  C     -12.101402     -0.552787      3.082385
  O     -12.124053     -1.562616      3.811601
  C     -11.020015      0.478052      3.214434
  C     -10.973680      1.670917      2.433211
  C      -9.943586      2.583314      2.598311
  C      -8.952474      2.300600      3.523676
  F      -7.975762      3.199939      3.655547
  C      -8.970560      1.149310      4.310549
  C      -7.957324      0.808342      5.361509
  O      -8.254901      0.070786      6.310386
  N      -6.675668      1.314880      5.159832
  C      -6.019361      1.676957      6.218719
  C     -10.035417      0.261346      4.139433
  H      -6.019425      4.689709     -0.563858
  H      -4.327556      4.907952     -1.155706
  H      -5.381801      3.614754     -1.841572
  H      -7.143465      2.615676     -0.682863
  H      -8.531172      0.767025      0.161875
  H      -3.687349     -1.850208      5.036708
  H      -4.007688      1.477780      2.055957
  H      -8.257159     10.582123     -0.284441
  H      -6.835639     10.583809     -1.327058
  H      -8.355974      9.874351     -1.924704
  H      -6.168367     10.724650      0.939056
  H      -4.752707     10.478188      2.962733
  H      -4.485615      3.523954      3.600186
  H      -6.584553      6.447941      0.794322
  H     -13.851265     -1.156530      2.037832
  H     -12.711702     -0.186912      1.027583
  H     -13.735293      0.628742      2.253635
  H     -11.748525      1.892317      1.701428
  H      -9.892895      3.520254      2.017206
  H      -6.537260      1.766789      7.191356
  H     -10.075431     -0.657849      4.759383
  N      -2.089912      1.879133      3.369732
  N      -1.616159      2.182292      2.228767
  H      -2.260160      2.689069      1.562506
  H      -0.881805      1.585342      1.849566
90
Coordinates from ORCA-job orca E -6724.620882787292
  N      -2.599966     -0.032897      5.488114
  Mo     -3.206620      1.790375      4.772370
  N      -4.699291      2.012371      6.214604
  C      -4.207163      2.749004      7.383002
  C      -2.793377      2.294688      7.720268
  N      -1.885706      2.196372      6.512347
  C      -0.920730      1.062183      6.703679
  C      -1.670451     -0.263002      6.568718
  C      -1.123528      3.469635      6.267374
  C      -2.078104      4.554984      5.789998
  N      -3.050744      3.864013      4.972713
  H      -0.959045     -1.067842      6.327235
  H      -2.200458     -0.548196      7.494302
  H      -0.172055      1.148474      5.905459
  H      -0.416592      1.157797      7.679095
  H      -2.573305      5.069144      6.628657
  H      -1.542738      5.321535      5.208238
  H      -0.585462      3.751249      7.186242
  H      -0.390283      3.245993      5.482335
  H      -4.842283      2.551547      8.261101
  H      -4.254303      3.831619      7.193155
  H      -2.849848      1.290377      8.156413
  H      -2.315141      2.958280      8.456538
  C      -5.094497      4.182122     -0.940260
  C      -4.563322      3.257907      0.114124
  O      -3.398760      3.423898      0.523659
  C      -5.444401      2.157098      0.629353
  C      -6.719546      1.927340      0.116751
  C      -7.514409      0.875692      0.609009
  C      -7.037189      0.057109      1.626363
  F      -7.828360     -0.944036      2.072174
  C      -5.783028      0.277226      2.201183
  C      -5.253037     -0.597364      3.274887
  O      -5.613405     -1.750589      3.476509
  N      -4.208926     -0.022331      4.032370
  C      -3.512661     -0.779203      4.882393
  C      -5.005403      1.322213      1.663686
  C      -7.712940     10.021919     -1.043690
  C      -7.301607      8.665201     -0.527013
  O      -7.635625      7.636341     -1.112944
  C      -6.467885      8.599613      0.722373
  C      -5.966977      9.742215      1.379981
  C      -5.182875      9.611865      2.524202
  C      -4.892513      8.342028      3.015284
  F      -4.137169      8.288428      4.133470
  C      -5.374463      7.170528      2.392750
  C      -5.121735      5.759832      2.823476
  O      -5.747469      4.835360      2.280321
  N      -4.154042      5.594931      3.806857
  C      -3.907130      4.342838      4.113186
  C      -6.168600      7.344111      1.249277
  C     -13.219726     -0.277325      1.969525
  C     -12.171328     -0.507087      3.035680
  O     -12.229261     -1.527655      3.790275
  C     -11.055699      0.497696      3.193633
  C     -10.972798      1.656758      2.410827
  C      -9.919317      2.556198      2.588770
  C      -8.933142      2.276941      3.545965
  F      -7.930590      3.178698      3.690801
  C      -8.973349      1.127927      4.356894
  C      -7.963242      0.799982      5.418689
  O      -8.257584      0.090109      6.369386
  N      -6.675917      1.302914      5.192946
  C      -6.010406      1.675407      6.238977
  C     -10.061608      0.258711      4.169116
  H      -6.004048      4.679971     -0.593600
  H      -4.339435      4.936739     -1.193732
  H      -5.358766      3.613776     -1.835174
  H      -7.110797      2.566060     -0.674110
  H      -8.509130      0.680660      0.223112
  H      -3.685807     -1.851584      5.044776
  H      -4.008309      1.474310      2.045660
  H      -8.273096     10.582824     -0.272766
  H      -6.820728     10.623302     -1.300267
  H      -8.340802      9.894094     -1.938899
  H      -6.184183     10.740300      1.001227
  H      -4.786566     10.483083      3.054530
  H      -4.496997      3.520504      3.590734
  H      -6.567370      6.454273      0.755871
  H     -13.927223     -1.107026      1.958856
  H     -12.772938     -0.181631      0.995547
  H     -13.749844      0.636893      2.161745
  H     -11.739837      1.874240      1.659564
  H      -9.842975      3.472189      2.002730
  H      -6.516813      1.770447      7.216313
  H     -10.127967     -0.632883      4.788402
  N      -2.105800      1.878514      3.354066
  N      -1.626770      2.184794      2.180038
  H      -2.267703      2.707101      1.514414
  H      -0.879960      1.578538      1.790396
90
Coordinates from ORCA-job orca E -6724.618791046280
  N      -2.604363     -0.036117      5.488471
  Mo     -3.206241      1.785577      4.765466
  N      -4.707988      2.015129      6.197717
  C      -4.222516      2.760314      7.366832
  C      -2.808886      2.306681      7.713695
  N      -1.894356      2.198931      6.510188
  C      -0.929985      1.061062      6.704529
  C      -1.679345     -0.264774      6.569938
  C      -1.130369      3.468844      6.263491
  C      -2.079912      4.554213      5.780414
  N      -3.049403      3.860303      4.961081
  H      -0.970958     -1.075662      6.333526
  H      -2.213071     -0.542422      7.493278
  H      -0.179570      1.141973      5.909851
  H      -0.428830      1.158545      7.681114
  H      -2.578343      5.074097      6.615465
  H      -1.540714      5.317553      5.199185
  H      -0.595309      3.754444      7.182970
  H      -0.395174      3.237576      5.483913
  H      -4.863077      2.568739      8.241535
  H      -4.268835      3.842149      7.171404
  H      -2.869706      1.306829      8.154667
  H      -2.333564      2.974397      8.448507
  C      -5.110143      4.194133     -0.867117
  C      -4.592269      3.255470      0.184758
  O      -3.413190      3.410894      0.635403
  C      -5.465406      2.162062      0.666016
  C      -6.752406      1.938651      0.133015
  C      -7.528734      0.890155      0.596284
  C      -7.040333      0.063248      1.607857
  F      -7.813081     -0.940427      2.026453
  C      -5.780192      0.278531      2.202549
  C      -5.242846     -0.598823      3.272247
  O      -5.607932     -1.735389      3.468073
  N      -4.201542     -0.032611      4.033776
  C      -3.515885     -0.787418      4.882951
  C      -5.013936      1.324672      1.689780
  C      -7.699479     10.075729     -1.049847
  C      -7.311132      8.711476     -0.532854
  O      -7.673280      7.683003     -1.112629
  C      -6.461711      8.632877      0.703974
  C      -5.933271      9.767624      1.351698
  C      -5.135867      9.623078      2.488788
  C      -4.858426      8.347874      2.979663
  F      -4.090193      8.280251      4.088869
  C      -5.366169      7.184181      2.364280
  C      -5.130114      5.763526      2.790305
  O      -5.797350      4.831736      2.236401
  N      -4.151815      5.587666      3.783059
  C      -3.906330      4.336281      4.095407
  C      -6.174601      7.373103      1.231107
  C     -13.200910     -0.316481      2.005396
  C     -12.137113     -0.552073      3.044345
  O     -12.170777     -1.505185      3.752231
  C     -11.044159      0.456568      3.193924
  C     -10.976687      1.616539      2.434420
  C      -9.940357      2.531384      2.609421
  C      -8.950897      2.265582      3.543572
  F      -7.964767      3.191558      3.689461
  C      -8.971566      1.103638      4.337356
  C      -7.957442      0.786121      5.375230
  O      -8.247620      0.056111      6.333075
  N      -6.676444      1.299750      5.155188
  C      -6.019629      1.675636      6.209676
  C     -10.040465      0.220481      4.155133
  H      -6.026861      4.680632     -0.537445
  H      -4.362064      4.944983     -1.083796
  H      -5.345162      3.653389     -1.774232
  H      -7.154251      2.581520     -0.649751
  H      -8.520464      0.703824      0.194165
  H      -3.691067     -1.860206      5.048529
  H      -4.018175      1.472486      2.084652
  H      -8.234945     10.649443     -0.278044
  H      -6.802453     10.657941     -1.320895
  H      -8.337851      9.960292     -1.933826
  H      -6.139755     10.768717      0.973795
  H      -4.720644     10.487198      3.010474
  H      -4.496366      3.510486      3.573802
  H      -6.595113      6.491408      0.748294
  H     -13.898048     -1.179642      2.016787
  H     -12.735979     -0.199195      0.984441
  H     -13.774183      0.630743      2.229698
  H     -11.742990      1.824050      1.704690
  H      -9.875739      3.443879      2.048283
  H      -6.533129      1.769075      7.180154
  H     -10.093335     -0.671454      4.754711
  N      -2.092277      1.861223      3.353542
  N      -1.602720      2.147937      2.199696
  H      -2.230966      2.647199      1.517947
  H      -0.861477      1.543269      1.841000
90
Coordinates from ORCA-job orca E -6724.621043488674
  N      -2.582512     -0.036491      5.481666
  Mo     -3.195374      1.791528      4.775802
  N      -4.704481      1.995599      6.209563
  C      -4.225790      2.730313      7.387521
  C      -2.807992      2.283015      7.729336
  N      -1.888815      2.197660      6.523118
  C      -0.916441      1.063283      6.708024
  C      -1.656886     -0.269173      6.559129
  C      -1.132814      3.482603      6.289471
  C      -2.094194      4.565791      5.815327
  N      -3.057940      3.869822      4.989724
  H      -0.941449     -1.069655      6.313124
  H      -2.187968     -0.563382      7.478653
  H      -0.163654      1.159317      5.913180
  H      -0.418118      1.153907      7.683852
  H      -2.598855      5.073953      6.654909
  H      -1.560679      5.341411      5.241247
  H      -0.600785      3.763981      7.210968
  H      -0.393085      3.267375      5.505877
  H      -4.868303      2.521962      8.260775
  H      -4.279608      3.815676      7.205818
  H      -2.861871      1.273569      8.158613
  H      -2.339121      2.946319      8.473475
  C      -5.091892      4.182899     -0.917281
  C      -4.582220      3.246286      0.130885
  O      -3.458951      3.390037      0.556886
  C      -5.472034      2.157105      0.624454
  C      -6.782074      1.931229      0.101303
  C      -7.567510      0.886150      0.572386
  C      -7.060857      0.067256      1.581643
  F      -7.843569     -0.930913      2.006416
  C      -5.776472      0.286065      2.169079
  C      -5.222538     -0.590242      3.241712
  O      -5.564941     -1.727894      3.435291
  N      -4.183293     -0.021743      4.015403
  C      -3.481003     -0.776102      4.873384
  C      -5.010574      1.326124      1.649904
  C      -7.672993     10.015136     -1.051344
  C      -7.282010      8.661453     -0.515440
  O      -7.631351      7.628152     -1.068446
  C      -6.452010      8.602341      0.714189
  C      -5.939597      9.745120      1.338040
  C      -5.158211      9.619721      2.468516
  C      -4.881532      8.354198      2.978621
  F      -4.127318      8.307236      4.082427
  C      -5.375544      7.181851      2.388454
  C      -5.138493      5.774105      2.839724
  O      -5.766174      4.854522      2.321112
  N      -4.169171      5.603678      3.822397
  C      -3.917728      4.349380      4.127054
  C      -6.166800      7.351332      1.258597
  C     -13.202862     -0.280291      2.021315
  C     -12.135483     -0.521304      3.068081
  O     -12.151472     -1.499931      3.786411
  C     -11.047462      0.477247      3.212248
  C     -11.008643      1.654858      2.431183
  C      -9.974510      2.551730      2.597577
  C      -8.969585      2.269712      3.526213
  F      -7.988743      3.174312      3.651670
  C      -8.972102      1.114420      4.328708
  C      -7.945525      0.780420      5.379675
  O      -8.220937      0.049283      6.331488
  N      -6.670118      1.285576      5.163247
  C      -6.014314      1.652327      6.222035
  C     -10.038536      0.242699      4.157334
  H      -6.008118      4.690182     -0.559601
  H      -4.316645      4.932112     -1.154047
  H      -5.363700      3.619622     -1.842629
  H      -7.191465      2.570129     -0.681760
  H      -8.583257      0.694331      0.179663
  H      -3.646062     -1.844477      5.031092
  H      -3.988749      1.476453      2.033687
  H      -8.210445     10.592886     -0.297801
  H      -6.786858     10.597006     -1.323811
  H      -8.298665      9.885763     -1.926881
  H      -6.145435     10.739390      0.944862
  H      -4.753417     10.490503      2.973066
  H      -4.499282      3.529792      3.600330
  H      -6.575442      6.462521      0.790142
  H     -13.893307     -1.117121      2.018483
  H     -12.765763     -0.167229      1.016136
  H     -13.755717      0.648774      2.240210
  H     -11.795580      1.882307      1.694269
  H      -9.930228      3.479481      2.015707
  H      -6.530457      1.737651      7.198455
  H     -10.073145     -0.659802      4.773700
  N      -2.080879      1.895846      3.363832
  N      -1.603231      2.202186      2.225057
  H      -2.248438      2.706102      1.557102
  H      -0.864823      1.610431      1.851610
90
Coordinates from ORCA-job orca E -6724.619420699865
  N      -2.607301     -0.035763      5.494521
  Mo     -3.212720      1.783140      4.769376
  N      -4.707296      2.010879      6.205553
  C      -4.216412      2.753137      7.372140
  C      -2.803911      2.302021      7.716618
  N      -1.895139      2.197332      6.509519
  C      -0.929714      1.065077      6.706258
  C      -1.677429     -0.257782      6.576682
  C      -1.133660      3.469289      6.258493
  C      -2.088623      4.550561      5.776103
  N      -3.059683      3.856642      4.960360
  H      -0.967183     -1.064108      6.341796
  H      -2.207273     -0.534824      7.502531
  H      -0.181421      1.146753      5.908952
  H      -0.427622      1.166061      7.680597
  H      -2.584059      5.068015      6.611599
  H      -1.553487      5.314462      5.191773
  H      -0.596739      3.755985      7.176053
  H      -0.400007      3.242691      5.475119
  H      -4.852483      2.560358      8.250069
  H      -4.263714      3.833882      7.176337
  H      -2.860800      1.300911      8.159527
  H      -2.327875      2.969988      8.449760
  C      -5.125297      4.158716     -0.916440
  C      -4.577963      3.233763      0.129158
  O      -3.413550      3.380134      0.529792
  C      -5.454016      2.144806      0.638439
  C      -6.725874      1.927148      0.122577
  C      -7.508254      0.884078      0.603067
  C      -7.029053      0.061441      1.615546
  F      -7.811468     -0.932456      2.051529
  C      -5.779993      0.270430      2.195248
  C      -5.259242     -0.612657      3.271862
  O      -5.644996     -1.793456      3.465845
  N      -4.213848     -0.030805      4.033755
  C      -3.517722     -0.788461      4.890452
  C      -5.010871      1.307448      1.667220
  C      -7.713085     10.059370     -1.037468
  C      -7.312129      8.696499     -0.519030
  O      -7.665153      7.669794     -1.096628
  C      -6.462820      8.624331      0.722663
  C      -5.944546      9.763985      1.371020
  C      -5.147641      9.628964      2.508468
  C      -4.861272      8.355880      3.003072
  F      -4.093115      8.300643      4.115672
  C      -5.360464      7.185569      2.389719
  C      -5.113962      5.774548      2.825388
  O      -5.742355      4.868100      2.309340
  N      -4.150811      5.598001      3.798313
  C      -3.916541      4.341167      4.101367
  C      -6.167206      7.364445      1.251899
  C     -13.181018     -0.308584      1.987456
  C     -12.133994     -0.545707      3.051946
  O     -12.189459     -1.573844      3.799142
  C     -11.028487      0.476406      3.202405
  C     -10.949633      1.656058      2.417821
  C      -9.904204      2.570399      2.593984
  C      -8.932303      2.295267      3.537694
  F      -7.941180      3.196405      3.688101
  C      -8.972649      1.139475      4.332554
  C      -7.966414      0.801361      5.386881
  O      -8.267369      0.078075      6.331366
  N      -6.680692      1.302779      5.176150
  C      -6.018562      1.674769      6.224776
  C     -10.051952      0.254884      4.148702
  H      -6.043199      4.666770     -0.553976
  H      -4.364783      4.909528     -1.171550
  H      -5.408333      3.584202     -1.823647
  H      -7.116374      2.570186     -0.665469
  H      -8.498628      0.697241      0.213788
  H      -3.690820     -1.865003      5.056908
  H      -4.012262      1.453576      2.050058
  H      -8.258184     10.632025     -0.260213
  H      -6.816853     10.646987     -1.306303
  H      -8.352947      9.937155     -1.927003
  H      -6.158631     10.765149      0.990244
  H      -4.737527     10.498903      3.032012
  H      -4.510139      3.526791      3.580192
  H      -6.579857      6.475752      0.763560
  H     -13.881134     -1.152522      1.976843
  H     -12.723475     -0.198379      0.999304
  H     -13.728120      0.615222      2.192232
  H     -11.710246      1.869824      1.673101
  H      -9.828722      3.501039      2.008711
  H      -6.528728      1.771167      7.199671
  H     -10.113878     -0.653148      4.768458
  N      -2.110857      1.863534      3.358039
  N      -1.644194      2.160661      2.206309
  H      -2.288603      2.683609      1.537289
  H      -0.900786      1.564609      1.823484
90
Coordinates from ORCA-job orca E -6724.620635326148
  N      -2.578039     -0.038528      5.486725
  Mo     -3.200013      1.778563      4.768905
  N      -4.700988      1.989951      6.203729
  C      -4.219562      2.733576      7.372562
  C      -2.798849      2.293210      7.712762
  N      -1.884371      2.200184      6.506947
  C      -0.907161      1.070071      6.693134
  C      -1.644430     -0.262723      6.561799
  C      -1.132459      3.479748      6.258755
  C      -2.095560      4.558161      5.780672
  N      -3.062887      3.857996      4.964030
  H      -0.929583     -1.065427      6.318516
  H      -2.170268     -0.548366      7.487118
  H      -0.158901      1.162401      5.895976
  H      -0.401197      1.170301      7.664180
  H      -2.597210      5.073376      6.616906
  H      -1.563451      5.327386      5.199259
  H      -0.596831      3.768808      7.175583
  H      -0.396265      3.255285      5.477763
  H      -4.857328      2.530288      8.247653
  H      -4.276866      3.816719      7.183369
  H      -2.847375      1.288730      8.148917
  H      -2.328321      2.963144      8.447098
  C      -5.122441      4.181226     -0.861366
  C      -4.595449      3.251913      0.207449
  O      -3.415474      3.423367      0.665467
  C      -5.460377      2.157909      0.695786
  C      -6.733993      1.941318      0.170927
  C      -7.505293      0.896358      0.631898
  C      -7.013126      0.067792      1.633596
  F      -7.770055     -0.932291      2.048130
  C      -5.763514      0.273375      2.218109
  C      -5.215369     -0.609832      3.274889
  O      -5.581839     -1.758219      3.466395
  N      -4.179185     -0.045151      4.037573
  C      -3.483160     -0.788241      4.884110
  C      -5.005910      1.317617      1.711655
  C      -7.697168     10.030062     -1.073915
  C      -7.313678      8.670314     -0.541755
  O      -7.667247      7.643687     -1.114459
  C      -6.478111      8.596760      0.699765
  C      -5.963789      9.732427      1.343387
  C      -5.179927      9.594565      2.483865
  C      -4.901045      8.324759      2.982229
  F      -4.145522      8.262877      4.094000
  C      -5.393907      7.160122      2.372097
  C      -5.151686      5.746943      2.808311
  O      -5.793475      4.816078      2.253485
  N      -4.177954      5.583821      3.800020
  C      -3.924980      4.333121      4.104811
  C      -6.189434      7.341745      1.234465
  C     -13.215472     -0.225371      1.961028
  C     -12.142785     -0.493145      3.003410
  O     -12.174157     -1.499088      3.715577
  C     -11.046992      0.503878      3.175748
  C     -10.995288      1.678589      2.434751
  C      -9.958354      2.580195      2.631448
  C      -8.955295      2.283154      3.565817
  F      -7.975160      3.199722      3.729712
  C      -8.964152      1.110562      4.336458
  C      -7.945172      0.767447      5.376052
  O      -8.226356      0.017741      6.310210
  N      -6.665049      1.282293      5.160706
  C      -6.009788      1.644891      6.220704
  C     -10.034098      0.239679      4.133332
  H      -6.034008      4.647208     -0.534826
  H      -4.387152      4.938710     -1.087688
  H      -5.351877      3.645754     -1.768060
  H      -7.137979      2.586352     -0.606023
  H      -8.494716      0.714821      0.235526
  H      -3.646995     -1.854312      5.050268
  H      -4.011309      1.459715      2.101148
  H      -8.242170     10.610047     -0.314633
  H      -6.799763     10.607683     -1.337021
  H      -8.324974      9.910459     -1.963401
  H      -6.170545     10.729705      0.959567
  H      -4.776124     10.459984      3.002163
  H      -4.515342      3.510478      3.580133
  H      -6.596980      6.458747      0.754356
  H     -13.913468     -1.049719      1.938130
  H     -12.782393     -0.100617      0.981144
  H     -13.764024      0.688654      2.184771
  H     -11.776421      1.916445      1.698414
  H      -9.911231      3.509725      2.079767
  H      -6.521467      1.729487      7.195928
  H     -10.070477     -0.669807      4.724192
  N      -2.088846      1.870640      3.352872
  N      -1.604430      2.173015      2.188105
  H      -2.238873      2.669977      1.524995
  H      -0.862291      1.567786      1.814538
90
Coordinates from ORCA-job orca E -6724.620736497962
  N      -2.592759     -0.032880      5.485863
  Mo     -3.209015      1.787701      4.768380
  N      -4.717654      1.998838      6.200152
  C      -4.240108      2.740413      7.372845
  C      -2.822856      2.296651      7.717052
  N      -1.903076      2.204388      6.512868
  C      -0.929110      1.073540      6.702918
  C      -1.666071     -0.259383      6.563191
  C      -1.149270      3.485541      6.271403
  C      -2.108681      4.564193      5.791627
  N      -3.072941      3.866098      4.969418
  H      -0.950780     -1.060929      6.320582
  H      -2.196127     -0.548164      7.485745
  H      -0.177679      1.167178      5.908037
  H      -0.429148      1.172029      7.678623
  H      -2.612520      5.077073      6.628126
  H      -1.574824      5.334867      5.213925
  H      -0.617913      3.771847      7.191990
  H      -0.410033      3.263951      5.491001
  H      -4.881256      2.535939      8.246575
  H      -4.295139      3.823611      7.185354
  H      -2.874610      1.291643      8.151470
  H      -2.354249      2.965059      8.455741
  C      -5.116658      4.203485     -0.902003
  C      -4.586995      3.268714      0.143752
  O      -3.441351      3.435320      0.575742
  C      -5.465047      2.160514      0.634902
  C      -6.776052      1.918387      0.114216
  C      -7.567640      0.854329      0.590455
  C      -7.064536      0.032438      1.600525
  F      -7.853724     -0.983258      2.032083
  C      -5.776559      0.266178      2.182891
  C      -5.222780     -0.604006      3.253748
  O      -5.557401     -1.738756      3.452627
  N      -4.191161     -0.029398      4.021461
  C      -3.494273     -0.781604      4.877858
  C      -5.003016      1.324795      1.658453
  C      -7.620883     10.091956     -1.063442
  C      -7.256216      8.728380     -0.533805
  O      -7.630996      7.700060     -1.100764
  C      -6.422474      8.649816      0.703941
  C      -5.888733      9.783355      1.344475
  C      -5.105498      9.639803      2.482747
  C      -4.848280      8.366777      2.982708
  F      -4.092492      8.300593      4.093937
  C      -5.363309      7.204390      2.375740
  C      -5.147887      5.787401      2.814901
  O      -5.806648      4.867477      2.272450
  N      -4.174611      5.603786      3.805211
  C      -3.931261      4.348102      4.108370
  C      -6.155593      7.391801      1.239271
  C     -13.206133     -0.356703      2.041203
  C     -12.149329     -0.583975      3.080231
  O     -12.182631     -1.546743      3.784492
  C     -11.056890      0.436745      3.220876
  C     -10.995911      1.613287      2.451678
  C      -9.954519      2.524541      2.620248
  C      -8.958182      2.246182      3.548546
  F      -7.963578      3.158224      3.686252
  C      -8.982489      1.090275      4.339951
  C      -7.963793      0.762977      5.383507
  O      -8.246749      0.030126      6.335323
  N      -6.683507      1.279739      5.159459
  C      -6.027253      1.655533      6.213995
  C     -10.056683      0.208244      4.165247
  H      -6.042879      4.691192     -0.543380
  H      -4.358022      4.965019     -1.129535
  H      -5.371149      3.649098     -1.823040
  H      -7.188001      2.557775     -0.667116
  H      -8.582718      0.653604      0.199775
  H      -3.660030     -1.854867      5.041379
  H      -3.988373      1.484043      2.042111
  H      -8.151891     10.678458     -0.302564
  H      -6.717152     10.659848     -1.332891
  H      -8.251998      9.977099     -1.946513
  H      -6.079336     10.782621      0.959374
  H      -4.685729     10.502844      2.999199
  H      -4.521611      3.532119      3.580500
  H      -6.578312      6.510520      0.759558
  H     -13.906507     -1.222041      2.042405
  H     -12.742962     -0.236017      1.024728
  H     -13.771113      0.580164      2.265880
  H     -11.765895      1.827448      1.726331
  H      -9.894118      3.445184      2.052249
  H      -6.539698      1.744525      7.189071
  H     -10.104743     -0.693670      4.772759
  N      -2.096533      1.886540      3.354632
  N      -1.610533      2.191650      2.197151
  H      -2.252562      2.702923      1.523790
  H      -0.865591      1.594187      1.820403
90
Coordinates from ORCA-job orca E -6724.618580512764
  N      -2.582599     -0.043663      5.506608
  Mo     -3.195677      1.776832      4.781579
  N      -4.691935      1.994832      6.212865
  C      -4.201880      2.739168      7.382555
  C      -2.786747      2.295976      7.729544
  N      -1.877307      2.196511      6.520617
  C      -0.905751      1.066967      6.715288
  C      -1.647480     -0.260425      6.587086
  C      -1.121324      3.475441      6.268403
  C      -2.083340      4.552114      5.786873
  N      -3.051738      3.852567      4.971872
  H      -0.935041     -1.063460      6.353680
  H      -2.173950     -0.538104      7.513562
  H      -0.159013      1.152780      5.916433
  H      -0.401112      1.169170      7.689601
  H      -2.580282      5.067338      6.622647
  H      -1.552705      5.320494      5.202309
  H      -0.584274      3.765516      7.185677
  H      -0.386501      3.253726      5.483709
  H      -4.837356      2.542108      8.261046
  H      -4.255148      3.820478      7.187407
  H      -2.839000      1.293626      8.173821
  H      -2.315418      2.967734      8.463957
  C      -5.137076      4.147775     -0.911834
  C      -4.610345      3.220358      0.121672
  O      -3.482833      3.349012      0.504370
  C      -5.481719      2.141009      0.635925
  C      -6.764375      1.923944      0.122172
  C      -7.529730      0.882866      0.603600
  C      -7.034168      0.058665      1.614756
  F      -7.801815     -0.936212      2.048495
  C      -5.777252      0.267776      2.194536
  C      -5.241894     -0.619172      3.269787
  O      -5.611440     -1.776117      3.463349
  N      -4.197026     -0.041441      4.039245
  C      -3.490678     -0.799369      4.903910
  C      -5.024107      1.304128      1.663954
  C      -7.737611     10.023674     -1.033070
  C      -7.339577      8.665642     -0.499943
  O      -7.699850      7.631336     -1.055832
  C      -6.478268      8.608843      0.727408
  C      -5.955692      9.757309      1.352763
  C      -5.148516      9.635781      2.479775
  C      -4.855283      8.367517      2.987087
  F      -4.076378      8.329091      4.090006
  C      -5.358635      7.187587      2.394751
  C      -5.109355      5.779435      2.840944
  O      -5.735742      4.877123      2.353556
  N      -4.145956      5.600490      3.810957
  C      -3.914031      4.340581      4.113582
  C      -6.175524      7.353878      1.267198
  C     -13.191545     -0.255967      1.948660
  C     -12.136625     -0.498428      3.018228
  O     -12.168507     -1.484276      3.739963
  C     -11.038706      0.501380      3.178176
  C     -10.974907      1.674537      2.397821
  C      -9.932899      2.572494      2.582047
  C      -8.948353      2.292685      3.524577
  F      -7.969251      3.190561      3.671505
  C      -8.965451      1.132214      4.325236
  C      -7.946980      0.789697      5.383701
  O      -8.236217      0.063690      6.327663
  N      -6.665833      1.286298      5.175887
  C      -6.005579      1.655879      6.227494
  C     -10.043164      0.262940      4.135009
  H      -6.053566      4.668496     -0.549226
  H      -4.370341      4.893435     -1.158547
  H      -5.421612      3.572784     -1.821829
  H      -7.165343      2.566366     -0.665017
  H      -8.518057      0.698480      0.215679
  H      -3.660002     -1.878452      5.071971
  H      -4.024416      1.447780      2.042303
  H      -8.269546     10.608419     -0.262352
  H      -6.843677     10.602199     -1.318064
  H      -8.382272      9.893373     -1.910307
  H      -6.175652     10.755572      0.961698
  H      -4.734783     10.512958      2.986677
  H      -4.504430      3.532069      3.594026
  H      -6.592009      6.457878      0.793686
  H     -13.881864     -1.101399      1.937845
  H     -12.745817     -0.141067      0.938100
  H     -13.744389      0.676268      2.162627
  H     -11.746452      1.895260      1.649681
  H      -9.870966      3.497385      2.000041
  H      -6.519222      1.747756      7.202332
  H     -10.094025     -0.630478      4.743509
  N      -2.091633      1.865944      3.373912
  N      -1.627306      2.162887      2.242108
  H      -2.274204      2.699956      1.567439
  H      -0.886941      1.571950      1.858083
90
Coordinates from ORCA-job orca E -6724.619284826634
  N      -2.588944     -0.034026      5.488781
  Mo     -3.210840      1.776936      4.757965
  N      -4.712028      1.997948      6.193978
  C      -4.231019      2.750690      7.358560
  C      -2.811525      2.315000      7.704244
  N      -1.898835      2.213780      6.497567
  C      -0.921163      1.088280      6.693804
  C      -1.657662     -0.245497      6.568018
  C      -1.149714      3.492542      6.241531
  C      -2.114251      4.564045      5.755237
  N      -3.079945      3.858272      4.939988
  H      -0.940440     -1.049038      6.331854
  H      -2.185423     -0.524858      7.494849
  H      -0.173427      1.175317      5.896698
  H      -0.418098      1.198726      7.666658
  H      -2.616270      5.082543      6.588776
  H      -1.583402      5.330061      5.168990
  H      -0.616331      3.788745      7.158070
  H      -0.412796      3.265921      5.461144
  H      -4.866382      2.554418      8.236359
  H      -4.289533      3.831409      7.159929
  H      -2.857745      1.315476      8.149794
  H      -2.341192      2.991873      8.433337
  C      -5.132774      4.151225     -0.870410
  C      -4.596188      3.217731      0.176561
  O      -3.411252      3.379254      0.606352
  C      -5.471697      2.117195      0.672098
  C      -6.754325      1.891495      0.158342
  C      -7.526888      0.840709      0.627519
  C      -7.029631      0.018256      1.627792
  F      -7.803627     -0.984006      2.056772
  C      -5.770141      0.235051      2.203618
  C      -5.227998     -0.641191      3.271038
  O      -5.600888     -1.817807      3.467499
  N      -4.186059     -0.050333      4.035527
  C      -3.488315     -0.792904      4.887819
  C      -5.011884      1.279414      1.686658
  C      -7.654310     10.097362     -1.044288
  C      -7.269638      8.733032     -0.528763
  O      -7.608672      7.717387     -1.114706
  C      -6.450388      8.644140      0.718013
  C      -5.950649      9.772173      1.383311
  C      -5.181745      9.621387      2.526096
  C      -4.903967      8.344251      3.008051
  F      -4.163841      8.271654      4.125356
  C      -5.384711      7.185810      2.377359
  C      -5.143716      5.769111      2.799691
  O      -5.767354      4.850410      2.236204
  N      -4.180382      5.593910      3.784924
  C      -3.940855      4.336691      4.082330
  C      -6.164035      7.380293      1.234993
  C     -13.183255     -0.263378      1.997800
  C     -12.127288     -0.523670      3.045127
  O     -12.178031     -1.562524      3.792184
  C     -11.022762      0.481665      3.199500
  C     -10.951095      1.663125      2.426059
  C      -9.913494      2.572266      2.597938
  C      -8.936892      2.287410      3.534129
  F      -7.949318      3.199580      3.681384
  C      -8.966358      1.115161      4.327990
  C      -7.960604      0.773536      5.368634
  O      -8.258906      0.034745      6.314282
  N      -6.676482      1.276234      5.159433
  C      -6.019449      1.651240      6.211296
  C     -10.035513      0.234744      4.148865
  H      -6.047005      4.637235     -0.514530
  H      -4.379644      4.912404     -1.109531
  H      -5.392679      3.595335     -1.783797
  H      -7.157780      2.535167     -0.618456
  H      -8.527496      0.648324      0.240743
  H      -3.649157     -1.864715      5.056716
  H      -4.002734      1.433302      2.067345
  H      -8.210282     10.661627     -0.283959
  H      -6.757715     10.684397     -1.288359
  H      -8.271281      9.985449     -1.940428
  H      -6.157382     10.775864      1.012687
  H      -4.787357     10.481637      3.062426
  H      -4.536180      3.520569      3.557896
  H      -6.561098      6.501760      0.733794
  H     -13.887512     -1.086510      1.984242
  H     -12.732568     -0.151565      1.021052
  H     -13.725821      0.657076      2.208616
  H     -11.717729      1.892221      1.684476
  H      -9.847962      3.509827      2.017863
  H      -6.531389      1.745443      7.183216
  H     -10.087917     -0.681027      4.765041
  N      -2.101122      1.856930      3.342649
  N      -1.633571      2.147848      2.195942
  H      -2.267077      2.645902      1.538851
  H      -0.900196      1.553856      1.831597
90
Coordinates from ORCA-job orca E -6724.620450457212
  N      -2.593163     -0.038035      5.499335
  Mo     -3.211917      1.774582      4.768724
  N      -4.710778      1.998200      6.199659
  C      -4.228746      2.748568      7.364186
  C      -2.811987      2.308953      7.708559
  N      -1.898410      2.206798      6.503307
  C      -0.924303      1.079594      6.701837
  C      -1.660260     -0.254340      6.577444
  C      -1.146258      3.485775      6.248412
  C      -2.109188      4.559708      5.762797
  N      -3.076177      3.854120      4.950002
  H      -0.943080     -1.057041      6.342290
  H      -2.187173     -0.536380      7.505499
  H      -0.177621      1.166876      5.901740
  H      -0.420704      1.184420      7.674665
  H      -2.609663      5.078110      6.597315
  H      -1.579768      5.327825      5.176462
  H      -0.610946      3.779108      7.164517
  H      -0.410706      3.260909      5.466115
  H      -4.866456      2.551688      8.241394
  H      -4.284691      3.829410      7.166764
  H      -2.861723      1.308736      8.153908
  H      -2.342911      2.984283      8.440275
  C      -5.175090      4.194859     -0.859546
  C      -4.608999      3.256061      0.187722
  O      -3.423606      3.420496      0.618066
  C      -5.469587      2.148708      0.683110
  C      -6.753790      1.915928      0.164310
  C      -7.530164      0.857323      0.637076
  C      -7.033087      0.030839      1.642120
  F      -7.801791     -0.977988      2.067358
  C      -5.770879      0.252038      2.221368
  C      -5.225468     -0.626324      3.285300
  O      -5.560364     -1.761523      3.482492
  N      -4.195601     -0.053034      4.042204
  C      -3.496597     -0.795561      4.897508
  C      -5.011880      1.308295      1.702357
  C      -7.636083     10.130543     -1.058872
  C      -7.283569      8.759190     -0.531850
  O      -7.684390      7.733892     -1.100587
  C      -6.429247      8.669834      0.704231
  C      -5.870597      9.795878      1.345192
  C      -5.069640      9.640461      2.480340
  C      -4.820611      8.363219      2.975989
  F      -4.046837      8.284966      4.083264
  C      -5.359738      7.208643      2.369151
  C      -5.153879      5.786096      2.802071
  O      -5.846398      4.873206      2.266324
  N      -4.172350      5.593117      3.787216
  C      -3.938134      4.337311      4.091259
  C      -6.168824      7.408130      1.236704
  C     -13.200766     -0.352786      1.976533
  C     -12.148624     -0.578652      3.038925
  O     -12.185876     -1.547326      3.757677
  C     -11.055258      0.433728      3.192449
  C     -11.001129      1.597411      2.422477
  C      -9.960835      2.503557      2.606107
  C      -8.959911      2.230910      3.551149
  F      -7.967503      3.135315      3.706512
  C      -8.981880      1.094494      4.334878
  C      -7.961484      0.768509      5.395292
  O      -8.237167      0.036149      6.342072
  N      -6.679936      1.279728      5.168825
  C      -6.022003      1.659164      6.219614
  C     -10.055366      0.218023      4.144128
  H      -6.096716      4.667458     -0.493293
  H      -4.433518      4.960180     -1.096401
  H      -5.438504      3.649970     -1.777514
  H      -7.161484      2.559488     -0.615060
  H      -8.529632      0.664364      0.246646
  H      -3.661127     -1.864432      5.068481
  H      -4.010826      1.459459      2.085420
  H      -8.151762     10.727531     -0.286311
  H      -6.722225     10.684434     -1.339250
  H      -8.283010     10.024368     -1.940633
  H      -6.054759     10.798366      0.963585
  H      -4.630363     10.497389      2.996478
  H      -4.533782      3.525851      3.569425
  H      -6.608461      6.533569      0.757237
  H     -13.897832     -1.210022      1.965151
  H     -12.748588     -0.238190      0.971153
  H     -13.753516      0.578598      2.191699
  H     -11.777394      1.811352      1.681084
  H      -9.905861      3.418801      2.035715
  H      -6.532358      1.754556      7.196209
  H     -10.099110     -0.681101      4.756219
  N      -2.107114      1.866721      3.347757
  N      -1.618772      2.169127      2.166336
  H      -2.261557      2.682021      1.487860
  H      -0.863162      1.564206      1.780885
90
Coordinates from ORCA-job orca E -6724.621311907636
  N      -2.579364     -0.036237      5.501995
  Mo     -3.198221      1.778200      4.770528
  N      -4.703320      1.993253      6.200488
  C      -4.225881      2.743868      7.369055
  C      -2.808706      2.307528      7.719123
  N      -1.893627      2.207606      6.512891
  C      -0.918232      1.082346      6.711818
  C      -1.652583     -0.247169      6.583143
  C      -1.144380      3.487927      6.259881
  C      -2.107996      4.558713      5.772225
  N      -3.070716      3.854639      4.955445
  H      -0.940941     -1.047011      6.352704
  H      -2.178923     -0.521903      7.505169
  H      -0.169362      1.169698      5.915465
  H      -0.419758      1.189736      7.685839
  H      -2.610223      5.075974      6.604747
  H      -1.578449      5.325161      5.188279
  H      -0.613904      3.783120      7.177999
  H      -0.406114      3.263398      5.480049
  H      -4.864566      2.545495      8.245485
  H      -4.284774      3.824559      7.171950
  H      -2.855236      1.306018      8.164833
  H      -2.341676      2.983671      8.451022
  C      -5.165190      4.160195     -0.885934
  C      -4.650611      3.227707      0.146908
  O      -3.514339      3.370094      0.546035
  C      -5.513415      2.127278      0.648632
  C      -6.818661      1.883229      0.137444
  C      -7.576571      0.818693      0.613574
  C      -7.051434      0.000516      1.617979
  F      -7.812661     -1.013881      2.048479
  C      -5.774379      0.237509      2.195506
  C      -5.212606     -0.628992      3.271291
  O      -5.551556     -1.769884      3.471699
  N      -4.180514     -0.043707      4.034642
  C      -3.473118     -0.794937      4.899087
  C      -5.027713      1.295018      1.667432
  C      -7.643292     10.087893     -1.051639
  C      -7.255182      8.726225     -0.526620
  O      -7.591196      7.703264     -1.106010
  C      -6.431620      8.648483      0.716100
  C      -5.935030      9.783822      1.370705
  C      -5.162464      9.642668      2.511414
  C      -4.878738      8.368918      3.002245
  F      -4.135238      8.308524      4.118646
  C      -5.357087      7.202948      2.381608
  C      -5.115372      5.788821      2.811993
  O      -5.733950      4.878222      2.279844
  N      -4.156948      5.605040      3.797611
  C      -3.931960      4.344056      4.097985
  C      -6.138560      7.388058      1.240857
  C     -13.198500     -0.290878      2.006017
  C     -12.138129     -0.530267      3.035049
  O     -12.168354     -1.507422      3.734584
  C     -11.037595      0.478336      3.182917
  C     -10.958447      1.660811      2.421898
  C      -9.910326      2.571586      2.594813
  C      -8.925948      2.276321      3.523501
  F      -7.934407      3.189811      3.656063
  C      -8.956012      1.092849      4.322041
  C      -7.944357      0.751045      5.360949
  O      -8.244930      0.028666      6.300109
  N      -6.661545      1.263039      5.157006
  C      -6.013180      1.644520      6.212522
  C     -10.040535      0.216415      4.137634
  H      -6.069486      4.653217     -0.545152
  H      -4.426072      4.917161     -1.113727
  H      -5.415868      3.605617     -1.784461
  H      -7.243612      2.519642     -0.642932
  H      -8.582430      0.612270      0.227883
  H      -3.633168     -1.872241      5.066920
  H      -4.016526      1.460313      2.043886
  H      -8.198689     10.658113     -0.294233
  H      -6.748909     10.670641     -1.300222
  H      -8.258349      9.970901     -1.945403
  H      -6.147679     10.785384      0.992804
  H      -4.769854     10.507756      3.040090
  H      -4.524858      3.538737      3.572616
  H      -6.533450      6.503590      0.745634
  H     -13.895110     -1.129964      2.003706
  H     -12.744415     -0.167318      1.016756
  H     -13.761603      0.626981      2.227639
  H     -11.718250      1.880566      1.698057
  H      -9.834124      3.494848      2.031717
  H      -6.532843      1.736782      7.184570
  H     -10.106109     -0.681573      4.733327
  N      -2.090344      1.869046      3.359033
  N      -1.624541      2.169695      2.211243
  H      -2.265152      2.700795      1.551235
  H      -0.872929      1.588591      1.828874
90
Coordinates from ORCA-job orca E -6724.620747825484
  N      -2.567850     -0.035381      5.503338
  Mo     -3.201159      1.774031      4.768364
  N      -4.699820      1.989525      6.206913
  C      -4.221304      2.744170      7.371277
  C      -2.797036      2.316226      7.713264
  N      -1.885513      2.219109      6.503414
  C      -0.899392      1.096941      6.699679
  C      -1.632023     -0.243104      6.579439
  C      -1.142021      3.504394      6.242601
  C      -2.115244      4.572046      5.757874
  N      -3.081342      3.860787      4.945346
  H      -0.909194     -1.045600      6.341302
  H      -2.157080     -0.525964      7.510064
  H      -0.153286      1.187416      5.899193
  H      -0.392663      1.211328      7.670838
  H      -2.617988      5.089519      6.592156
  H      -1.588928      5.341450      5.168852
  H      -0.607054      3.804262      7.156991
  H      -0.405642      3.280531      5.459589
  H      -4.855786      2.544216      8.250459
  H      -4.285457      3.825854      7.173103
  H      -2.835961      1.314800      8.160104
  H      -2.328199      2.996658      8.440632
  C      -5.152186      4.127860     -0.895630
  C      -4.608302      3.197945      0.146115
  O      -3.465907      3.358756      0.553570
  C      -5.478812      2.093750      0.652998
  C      -6.757820      1.855778      0.142681
  C      -7.526310      0.798707      0.625211
  C      -7.028173     -0.017741      1.632878
  F      -7.796535     -1.023832      2.074558
  C      -5.767961      0.211447      2.204289
  C      -5.216857     -0.657337      3.278150
  O      -5.592768     -1.842147      3.473349
  N      -4.171330     -0.054983      4.046119
  C      -3.464680     -0.796670      4.902498
  C      -5.016315      1.260407      1.674684
  C      -7.667245     10.078400     -1.038553
  C      -7.286751      8.715738     -0.517818
  O      -7.632973      7.694816     -1.096975
  C      -6.464767      8.634442      0.727031
  C      -5.961380      9.768626      1.385804
  C      -5.189684      9.625684      2.527465
  C      -4.912955      8.350436      3.015315
  F      -4.169211      8.285977      4.132411
  C      -5.397958      7.185947      2.391260
  C      -5.157724      5.772678      2.820897
  O      -5.780181      4.857187      2.274923
  N      -4.190012      5.599186      3.797710
  C      -3.948156      4.340266      4.093605
  C      -6.179616      7.372362      1.249204
  C     -13.189147     -0.194078      1.942672
  C     -12.126486     -0.476503      3.002656
  O     -12.166905     -1.502000      3.726660
  C     -11.025309      0.515781      3.179572
  C     -10.959152      1.692794      2.424168
  C      -9.922148      2.584252      2.619697
  C      -8.939453      2.289575      3.560967
  F      -7.958284      3.190952      3.730484
  C      -8.960218      1.118006      4.337791
  C      -7.947017      0.767881      5.376290
  O      -8.235598      0.008550      6.319401
  N      -6.665437      1.270454      5.172704
  C      -6.007184      1.640490      6.227052
  C     -10.029041      0.251474      4.137847
  H      -6.079156      4.623221     -0.516010
  H      -4.380720      4.892583     -1.143881
  H      -5.429083      3.556579     -1.820603
  H      -7.160468      2.494222     -0.639466
  H      -8.518288      0.597213      0.242828
  H      -3.618469     -1.869104      5.070777
  H      -4.012882      1.422494      2.050397
  H      -8.218409     10.648334     -0.278752
  H      -6.767720     10.662496     -1.288752
  H      -8.287037      9.962014     -1.931554
  H      -6.167626     10.770543      1.010229
  H      -4.791780     10.490376      3.059340
  H      -4.545400      3.526460      3.570025
  H      -6.578756      6.488789      0.751233
  H     -13.883574     -1.043957      1.927801
  H     -12.734694     -0.061438      0.924689
  H     -13.751363      0.752851      2.177290
  H     -11.733060      1.934888      1.675135
  H      -9.861692      3.519995      2.053076
  H      -6.516325      1.733709      7.202043
  H     -10.077416     -0.660357      4.737125
  N      -2.098712      1.859636      3.351083
  N      -1.632613      2.149215      2.203176
  H      -2.271392      2.651931      1.540012
  H      -0.892474      1.561535      1.838861
90
Coordinates from ORCA-job orca E -6724.621182883186
  N      -2.600954     -0.038622      5.499914
  Mo     -3.221077      1.767216      4.758896
  N      -4.718227      1.998611      6.188834
  C      -4.234377      2.756923      7.349235
  C      -2.818348      2.322358      7.698583
  N      -1.907473      2.212182      6.492899
  C      -0.931227      1.089276      6.697942
  C      -1.665714     -0.244474      6.581692
  C      -1.157091      3.488403      6.229330
  C      -2.120885      4.556256      5.738420
  N      -3.087786      3.846422      4.928922
  H      -0.947098     -1.047973      6.352150
  H      -2.192174     -0.519063      7.512720
  H      -0.186312      1.171725      5.897778
  H      -0.427464      1.203487      7.671335
  H      -2.620337      5.078369      6.570041
  H      -1.592335      5.320657      5.146922
  H      -0.622255      3.788456      7.144449
  H      -0.421860      3.259995      5.448271
  H      -4.869593      2.565914      8.227821
  H      -4.291368      3.835325      7.143619
  H      -2.866683      1.327861      8.152978
  H      -2.348872      3.003829      8.424149
  C      -5.192833      4.161538     -0.836184
  C      -4.613045      3.225261      0.201126
  O      -3.417164      3.376854      0.617682
  C      -5.474959      2.130016      0.695594
  C      -6.755685      1.909603      0.175605
  C      -7.522395      0.862322      0.636240
  C      -7.025278      0.032666      1.634814
  F      -7.792526     -0.968741      2.051365
  C      -5.769994      0.243113      2.218249
  C      -5.232000     -0.639700      3.284183
  O      -5.573160     -1.789966      3.483502
  N      -4.201271     -0.063725      4.041228
  C      -3.503162     -0.802764      4.897979
  C      -5.015947      1.288296      1.708318
  C      -7.619483     10.170839     -1.051081
  C      -7.268792      8.794473     -0.531031
  O      -7.666370      7.773388     -1.104960
  C      -6.417771      8.697652      0.708100
  C      -5.865067      9.821356      1.358620
  C      -5.068612      9.660756      2.497379
  C      -4.817507      8.379048      2.989032
  F      -4.048916      8.299355      4.101497
  C      -5.351471      7.224701      2.371835
  C      -5.145778      5.800010      2.799636
  O      -5.828558      4.901946      2.266075
  N      -4.173434      5.594316      3.776901
  C      -3.950916      4.333326      4.072655
  C      -6.155838      7.430281      1.234500
  C     -13.173878     -0.382569      2.001148
  C     -12.126422     -0.604675      3.056816
  O     -12.168071     -1.606665      3.792248
  C     -11.032627      0.419596      3.203340
  C     -10.979412      1.603715      2.418667
  C      -9.945765      2.520048      2.590084
  C      -8.958442      2.250308      3.527628
  F      -7.969663      3.156876      3.675199
  C      -8.982045      1.100830      4.317082
  C      -7.963629      0.761383      5.377624
  O      -8.240555      0.025962      6.325149
  N      -6.685885      1.270989      5.156501
  C      -6.029115      1.655390      6.205049
  C     -10.046935      0.213415      4.138272
  H      -6.118950      4.640454     -0.457783
  H      -4.449666      4.925449     -1.078260
  H      -5.469905      3.612472     -1.756528
  H      -7.160698      2.556802     -0.600148
  H      -8.519842      0.676395      0.243789
  H      -3.665810     -1.872838      5.070533
  H      -4.013375      1.435046      2.091484
  H      -8.138520     10.763206     -0.276585
  H      -6.704193     10.726476     -1.324476
  H      -8.264022     10.070482     -1.935893
  H      -6.051236     10.827927      0.981197
  H      -4.633747     10.517336      3.021475
  H      -4.551836      3.527638      3.552028
  H      -6.591787      6.556182      0.744753
  H     -13.877912     -1.215478      1.975909
  H     -12.728312     -0.271014      1.032003
  H     -13.704683      0.516862      2.205399
  H     -11.756326      1.823500      1.671214
  H      -9.890108      3.457407      2.003333
  H      -6.542966      1.753673      7.177070
  H     -10.089302     -0.702918      4.762393
  N      -2.117904      1.845140      3.340684
  N      -1.648182      2.129295      2.190473
  H      -2.287761      2.634664      1.514108
  H      -0.906069      1.530648      1.823863
90
Coordinates from ORCA-job orca E -6724.621302745277
  N      -2.572704     -0.034310      5.507160
  Mo     -3.201230      1.772930      4.766987
  N      -4.704168      1.990148      6.197940
  C      -4.229371      2.747454      7.361456
  C      -2.808886      2.319202      7.708553
  N      -1.894516      2.217750      6.502513
  C      -0.913588      1.097721      6.705510
  C      -1.641984     -0.238062      6.586228
  C      -1.151374      3.499872      6.241690
  C      -2.119291      4.564901      5.750657
  N      -3.081620      3.853466      4.939010
  H      -0.925868     -1.036756      6.356973
  H      -2.166430     -0.513334      7.512139
  H      -0.166305      1.185217      5.906767
  H      -0.412884      1.212132      7.677537
  H      -2.622827      5.085056      6.581509
  H      -1.593193      5.331013      5.162283
  H      -0.619972      3.801478      7.156958
  H      -0.413701      3.273854      5.461812
  H      -4.866559      2.549201      8.239135
  H      -4.293260      3.827297      7.160689
  H      -2.849570      1.319691      8.158279
  H      -2.343662      3.001456      8.435935
  C      -5.197908      4.168430     -0.861110
  C      -4.651746      3.230384      0.173778
  O      -3.473938      3.394958      0.586393
  C      -5.506852      2.113211      0.677635
  C      -6.803680      1.860213      0.173340
  C      -7.563055      0.786429      0.653965
  C      -7.039373     -0.031395      1.654773
  F      -7.797268     -1.051778      2.091249
  C      -5.767769      0.211461      2.222235
  C      -5.202652     -0.650487      3.290648
  O      -5.529100     -1.785101      3.494397
  N      -4.174336     -0.058952      4.045635
  C      -3.466516     -0.799851      4.906317
  C      -5.022872      1.278660      1.692441
  C      -7.614234     10.137083     -1.050656
  C      -7.243768      8.768398     -0.533423
  O      -7.602304      7.751089     -1.119196
  C      -6.420515      8.674072      0.711838
  C      -5.907702      9.799208      1.374973
  C      -5.134891      9.642184      2.517953
  C      -4.868933      8.363836      3.000699
  F      -4.125270      8.284849      4.118315
  C      -5.363958      7.209435      2.372654
  C      -5.139608      5.789025      2.796345
  O      -5.786226      4.876632      2.251764
  N      -4.170660      5.599831      3.784274
  C      -3.945929      4.340495      4.084074
  C      -6.144127      7.409709      1.230493
  C     -13.216131     -0.284621      1.968550
  C     -12.154886     -0.539954      3.018775
  O     -12.195771     -1.507436      3.723326
  C     -11.049055      0.460220      3.174205
  C     -10.970584      1.630127      2.411939
  C      -9.916189      2.530197      2.597381
  C      -8.925785      2.237976      3.539120
  F      -7.925327      3.140103      3.688258
  C      -8.961688      1.076849      4.330539
  C      -7.949364      0.742488      5.377431
  O      -8.244924      0.024854      6.315880
  N      -6.663221      1.254611      5.163285
  C      -6.013834      1.640833      6.215357
  C     -10.050173      0.208643      4.136557
  H      -6.096414      4.638162     -0.509945
  H      -4.474766      4.933616     -1.094599
  H      -5.448803      3.627729     -1.757357
  H      -7.230642      2.496838     -0.603756
  H      -8.570491      0.573918      0.274185
  H      -3.622028     -1.876339      5.077726
  H      -4.014581      1.447904      2.065123
  H      -8.160058     10.710874     -0.288412
  H      -6.711787     10.711046     -1.299120
  H      -8.234252     10.031682     -1.944672
  H      -6.106227     10.803632      1.003623
  H      -4.730488     10.498337      3.051892
  H      -4.544160      3.535581      3.559448
  H      -6.548681      6.534496      0.730831
  H     -13.912093     -1.129008      1.966891
  H     -12.767720     -0.165393      0.960147
  H     -13.776372      0.657048      2.195191
  H     -11.730128      1.844492      1.684538
  H      -9.840061      3.439163      2.038177
  H      -6.529861      1.736611      7.189025
  H     -10.115101     -0.682455      4.734895
  N      -2.097333      1.865811      3.346923
  N      -1.623064      2.170386      2.168276
  H      -2.263501      2.697061      1.507865
  H      -0.859298      1.583268      1.775581
90
Coordinates from ORCA-job orca E -6724.620848281873
  N      -2.568914     -0.034716      5.513107
  Mo     -3.198556      1.773687      4.774373
  N      -4.699008      1.994561      6.207811
  C      -4.220719      2.751494      7.371158
  C      -2.797842      2.322367      7.716952
  N      -1.885798      2.220613      6.507487
  C      -0.902219      1.097482      6.707457
  C      -1.634553     -0.240556      6.589233
  C      -1.141640      3.504936      6.242454
  C      -2.116353      4.571676      5.756046
  N      -3.082366      3.859659      4.944780
  H      -0.913658     -1.039744      6.352898
  H      -2.156554     -0.521395      7.516657
  H      -0.156783      1.184878      5.906872
  H      -0.396821      1.212193      7.677521
  H      -2.618364      5.089979      6.589566
  H      -1.591748      5.340201      5.165954
  H      -0.606006      3.806091      7.155512
  H      -0.406808      3.279307      5.459341
  H      -4.856203      2.554298      8.250147
  H      -4.283670      3.832469      7.169998
  H      -2.838549      1.322264      8.167488
  H      -2.329154      3.003364      8.443078
  C      -5.205952      4.127080     -0.889905
  C      -4.664052      3.190835      0.143685
  O      -3.552878      3.337990      0.545904
  C      -5.521567      2.088160      0.644821
  C      -6.811031      1.836104      0.128500
  C      -7.563565      0.772771      0.613185
  C      -7.044649     -0.036805      1.626992
  F      -7.794880     -1.049769      2.067004
  C      -5.774608      0.206704      2.203254
  C      -5.203732     -0.654596      3.280162
  O      -5.556709     -1.817427      3.477112
  N      -4.168113     -0.057430      4.047960
  C      -3.459372     -0.796595      4.912621
  C      -5.040472      1.262756      1.671529
  C      -7.617964     10.115616     -1.049035
  C      -7.258663      8.749196     -0.518245
  O      -7.618793      7.730616     -1.091775
  C      -6.439048      8.661359      0.728049
  C      -5.923899      9.789696      1.382494
  C      -5.155102      9.640147      2.524020
  C      -4.891883      8.363545      3.015194
  F      -4.148613      8.293261      4.131283
  C      -5.387720      7.204485      2.395144
  C      -5.156054      5.788725      2.825276
  O      -5.792286      4.878962      2.289834
  N      -4.185243      5.607267      3.799143
  C      -3.950147      4.346235      4.094113
  C      -6.168132      7.398050      1.254813
  C     -13.165813     -0.268371      1.941101
  C     -12.115167     -0.505437      2.979941
  O     -12.143024     -1.508267      3.670888
  C     -11.024163      0.499943      3.170944
  C     -10.961398      1.684626      2.438055
  C      -9.930062      2.594701      2.642227
  C      -8.946929      2.302908      3.577314
  F      -7.977585      3.229362      3.747615
  C      -8.958269      1.114949      4.341399
  C      -7.940082      0.766339      5.371336
  O      -8.218156     -0.007255      6.295868
  N      -6.663103      1.276581      5.169572
  C      -6.006965      1.647746      6.226879
  C     -10.022022      0.228067      4.134025
  H      -6.136659      4.624508     -0.502172
  H      -4.424236      4.883696     -1.127717
  H      -5.489333      3.563696     -1.828490
  H      -7.228959      2.467714     -0.656416
  H      -8.555777      0.561614      0.227618
  H      -3.613194     -1.867692      5.085196
  H      -4.034360      1.434349      2.047965
  H      -8.162646     10.700427     -0.292780
  H      -6.709230     10.680716     -1.300476
  H      -8.237401     10.004613     -1.943585
  H      -6.119097     10.792742      1.003195
  H      -4.747725     10.499982      3.053151
  H      -4.550216      3.540801      3.572228
  H      -6.576327      6.519505      0.759113
  H     -13.856656     -1.129907      1.911855
  H     -12.697659     -0.117036      0.945490
  H     -13.741477      0.653492      2.179531
  H     -11.732914      1.925830      1.698039
  H      -9.876255      3.542714      2.088699
  H      -6.518080      1.743244      7.201691
  H     -10.065479     -0.695931      4.720531
  N      -2.097251      1.858314      3.354941
  N      -1.630388      2.144891      2.202276
  H      -2.284922      2.633809      1.527228
  H      -0.886600      1.554726      1.839297
90
Coordinates from ORCA-job orca E -6724.621693875224
  N      -2.582823     -0.036791      5.500562
  Mo     -3.214551      1.764311      4.757061
  N      -4.714961      1.989699      6.186822
  C      -4.237839      2.752705      7.346998
  C      -2.817761      2.328609      7.696270
  N      -1.904516      2.222027      6.489370
  C      -0.919995      1.105803      6.696587
  C      -1.647336     -0.234153      6.581802
  C      -1.162456      3.504302      6.223014
  C      -2.134420      4.564983      5.731462
  N      -3.097808      3.848151      4.921823
  H      -0.922066     -1.035779      6.352918
  H      -2.175063     -0.511015      7.514528
  H      -0.174218      1.191713      5.895975
  H      -0.417868      1.226912      7.669711
  H      -2.637915      5.085146      6.563181
  H      -1.609971      5.332580      5.138997
  H      -0.629946      3.809897      7.137288
  H      -0.424836      3.279670      5.441418
  H      -4.873101      2.557748      8.226031
  H      -4.302149      3.831019      7.140700
  H      -2.858635      1.333919      8.152665
  H      -2.352728      3.015554      8.420731
  C      -5.179274      4.156347     -0.834526
  C      -4.616549      3.218414      0.183428
  O      -3.430684      3.378839      0.569228
  C      -5.472802      2.110448      0.688054
  C      -6.757652      1.877784      0.183263
  C      -7.529389      0.817786      0.653477
  C      -7.026717     -0.009178      1.645214
  F      -7.797309     -1.018834      2.073827
  C      -5.765299      0.213699      2.215053
  C      -5.221001     -0.666004      3.279442
  O      -5.579921     -1.848481      3.469813
  N      -4.182249     -0.072518      4.042558
  C      -3.477425     -0.806399      4.898805
  C      -5.009551      1.267994      1.697192
  C      -7.614263     10.146822     -1.038339
  C      -7.264421      8.774240     -0.517464
  O      -7.658946      7.754537     -1.084512
  C      -6.421295      8.682500      0.719886
  C      -5.877153      9.810151      1.368384
  C      -5.088560      9.656965      2.505011
  C      -4.836349      8.377914      2.998166
  F      -4.075431      8.306363      4.111052
  C      -5.362341      7.219132      2.383199
  C      -5.153057      5.800059      2.815496
  O      -5.819170      4.910484      2.300955
  N      -4.184321      5.598064      3.782401
  C      -3.962610      4.333884      4.068627
  C      -6.159058      7.416756      1.246466
  C     -13.174978     -0.309147      1.987933
  C     -12.116426     -0.571659      3.052667
  O     -12.156030     -1.589595      3.794704
  C     -11.025738      0.442754      3.198423
  C     -10.979443      1.627689      2.413493
  C      -9.952228      2.530157      2.581709
  C      -8.962720      2.248908      3.518209
  F      -7.983468      3.146588      3.664181
  C      -8.977385      1.095228      4.311212
  C      -7.962575      0.749239      5.369311
  O      -8.250750      0.011644      6.320895
  N      -6.679224      1.258354      5.151623
  C      -6.024490      1.642273      6.200540
  C     -10.038746      0.222970      4.132112
  H      -6.092401      4.629956     -0.465326
  H      -4.451424      4.928912     -1.077379
  H      -5.439782      3.607147     -1.733562
  H      -7.169761      2.523948     -0.586223
  H      -8.533396      0.622248      0.274602
  H      -3.631861     -1.878442      5.071288
  H      -4.004210      1.424165      2.071712
  H      -8.134170     10.735787     -0.267525
  H      -6.700620     10.707117     -1.310894
  H      -8.255421     10.042021     -1.920428
  H      -6.064955     10.814917      0.989570
  H      -4.659737     10.517068      3.028995
  H      -4.565513      3.530439      3.546039
  H      -6.589360      6.538711      0.755641
  H     -13.871624     -1.144183      1.968385
  H     -12.734733     -0.189650      0.985291
  H     -13.714354      0.621073      2.209932
  H     -11.758312      1.854329      1.668539
  H      -9.901702      3.460140      1.998621
  H      -6.540475      1.738677      7.172109
  H     -10.080152     -0.680143      4.746074
  N      -2.114612      1.850644      3.339251
  N      -1.657288      2.141579      2.193417
  H      -2.300956      2.651201      1.529392
  H      -0.916216      1.550914      1.818002
90
Coordinates from ORCA-job orca E -6724.621261750259
  N      -2.575888     -0.034762      5.520092
  Mo     -3.203483      1.766992      4.765822
  N      -4.701524      1.998508      6.197534
  C      -4.220240      2.764266      7.353406
  C      -2.799134      2.337662      7.700852
  N      -1.889500      2.223957      6.494005
  C      -0.909154      1.103699      6.703679
  C      -1.638765     -0.231629      6.597807
  C      -1.145600      3.501033      6.218564
  C      -2.112309      4.563347      5.723293
  N      -3.079685      3.848427      4.920807
  H      -0.924304     -1.032786      6.371404
  H      -2.158614     -0.499121      7.528351
  H      -0.165781      1.182297      5.902373
  H      -0.404576      1.225863      7.674191
  H      -2.609891      5.090656      6.551771
  H      -1.587558      5.323854      5.126736
  H      -0.608249      3.808913      7.129030
  H      -0.413698      3.266070      5.437397
  H      -4.853887      2.573910      8.234023
  H      -4.283825      3.842399      7.143343
  H      -2.839693      1.343288      8.160115
  H      -2.330639      3.025526      8.419931
  C      -5.226378      4.119778     -0.846273
  C      -4.658738      3.183725      0.193376
  O      -3.459476      3.345655      0.619805
  C      -5.519392      2.078318      0.694725
  C      -6.804719      1.835402      0.182304
  C      -7.549820      0.776279      0.653596
  C      -7.030564     -0.040183      1.658364
  F      -7.779842     -1.051927      2.089025
  C      -5.772499      0.193136      2.233433
  C      -5.208223     -0.668632      3.305508
  O      -5.527057     -1.806291      3.517832
  N      -4.180519     -0.073744      4.058079
  C      -3.475136     -0.808004      4.923752
  C      -5.035947      1.248312      1.710499
  C      -7.624045     10.187232     -1.042582
  C      -7.255052      8.811912     -0.532656
  O      -7.616249      7.797953     -1.126714
  C      -6.430404      8.706444      0.716491
  C      -5.918260      9.827219      1.391926
  C      -5.143546      9.658862      2.539709
  C      -4.874338      8.373722      3.014463
  F      -4.130176      8.284569      4.136727
  C      -5.368483      7.223049      2.373149
  C      -5.143358      5.794851      2.784410
  O      -5.801081      4.881197      2.216978
  N      -4.168243      5.597140      3.769018
  C      -3.947509      4.336577      4.069255
  C      -6.151154      7.435402      1.227394
  C     -13.204174     -0.290992      1.929571
  C     -12.152566     -0.540320      2.985074
  O     -12.203614     -1.536365      3.701853
  C     -11.041359      0.468363      3.153025
  C     -10.952336      1.647552      2.399374
  C      -9.893681      2.553745      2.604719
  C      -8.911322      2.258255      3.556951
  F      -7.901673      3.161104      3.733194
  C      -8.957389      1.086220      4.336136
  C      -7.946929      0.743501      5.386817
  O      -8.235441      0.005728      6.321639
  N      -6.665158      1.255736      5.174186
  C      -6.011518      1.650130      6.220393
  C     -10.046734      0.212901      4.123081
  H      -6.140752      4.608030     -0.457861
  H      -4.470318      4.878171     -1.092506
  H      -5.518392      3.566368     -1.772571
  H      -7.226424      2.471134     -0.598691
  H      -8.543742      0.571039      0.264442
  H      -3.633466     -1.884709      5.103911
  H      -4.030859      1.411280      2.086453
  H      -8.170001     10.757917     -0.276649
  H      -6.720569     10.760803     -1.285983
  H      -8.244292     10.090581     -1.940172
  H      -6.118751     10.836721      1.027806
  H      -4.740736     10.511598      3.082408
  H      -4.553726      3.533423      3.550754
  H      -6.555307      6.563938      0.719180
  H     -13.908438     -1.128610      1.911626
  H     -12.748635     -0.167902      0.949618
  H     -13.752947      0.627032      2.147121
  H     -11.705621      1.859083      1.666693
  H      -9.805471      3.468119      2.055822
  H      -6.523318      1.753278      7.192919
  H     -10.117861     -0.688286      4.715592
  N      -2.103222      1.841996      3.342784
  N      -1.634517      2.125106      2.174972
  H      -2.272252      2.623487      1.507338
  H      -0.883280      1.533280      1.805456
90
Coordinates from ORCA-job orca E -6724.621088808345
  N      -2.568299     -0.040895      5.514828
  Mo     -3.205709      1.760636      4.764666
  N      -4.711068      1.980291      6.189874
  C      -4.241606      2.744976      7.353048
  C      -2.818387      2.325797      7.705157
  N      -1.902146      2.222422      6.499814
  C      -0.913953      1.106228      6.710173
  C      -1.637631     -0.236070      6.595738
  C      -1.165334      3.510207      6.232540
  C      -2.143546      4.569048      5.737222
  N      -3.102921      3.848561      4.925932
  H      -0.914472     -1.033001      6.369730
  H      -2.162078     -0.512388      7.521811
  H      -0.166126      1.193831      5.911756
  H      -0.412843      1.228272      7.682755
  H      -2.651264      5.089448      6.566169
  H      -1.621863      5.337848      5.146324
  H      -0.635154      3.819223      7.146825
  H      -0.426074      3.285397      5.453489
  H      -4.879469      2.547641      8.230312
  H      -4.310463      3.824228      7.147788
  H      -2.853633      1.327756      8.160531
  H      -2.356848      3.014323      8.429708
  C      -5.229752      4.143109     -0.867761
  C      -4.665309      3.205474      0.156537
  O      -3.512019      3.359985      0.546186
  C      -5.509973      2.088941      0.667380
  C      -6.800195      1.828869      0.164161
  C      -7.551345      0.753100      0.653957
  C      -7.026666     -0.061914      1.659297
  F      -7.780407     -1.083845      2.105066
  C      -5.755517      0.187846      2.223327
  C      -5.184986     -0.671811      3.293315
  O      -5.508975     -1.810420      3.498312
  N      -4.162861     -0.071564      4.048195
  C      -3.451514     -0.810130      4.912335
  C      -5.022888      1.257538      1.687035
  C      -7.553871     10.183838     -1.059669
  C      -7.208350      8.809499     -0.542737
  O      -7.561523      7.799761     -1.143494
  C      -6.407273      8.700723      0.716688
  C      -5.900067      9.817899      1.401092
  C      -5.148424      9.648158      2.555150
  C      -4.896025      8.363965      3.027944
  F      -4.171626      8.272711      4.156708
  C      -5.384812      7.216681      2.378229
  C      -5.166262      5.791733      2.788836
  O      -5.813507      4.882729      2.233289
  N      -4.195733      5.596965      3.775739
  C      -3.971325      4.334834      4.072270
  C      -6.146028      7.429962      1.225764
  C     -13.177504     -0.288032      2.011242
  C     -12.111885     -0.538086      3.041603
  O     -12.127043     -1.508154      3.731444
  C     -11.026185      0.458339      3.194875
  C     -10.971623      1.633701      2.440564
  C      -9.937301      2.536585      2.614613
  C      -8.950429      2.253487      3.530194
  F      -7.981422      3.169878      3.659925
  C      -8.962572      1.092660      4.307264
  C      -7.943294      0.757210      5.328939
  O      -8.231467      0.019109      6.268098
  N      -6.662715      1.255269      5.136578
  C      -6.020088      1.631406      6.199461
  C     -10.026401      0.208249      4.134184
  H      -6.142095      4.613091     -0.496686
  H      -4.500567      4.913730     -1.106773
  H      -5.495224      3.595008     -1.776150
  H      -7.225609      2.463581     -0.615913
  H      -8.551168      0.535773      0.278398
  H      -3.598176     -1.884791      5.084929
  H      -4.018859      1.433497      2.056345
  H      -8.113091     10.760630     -0.303698
  H      -6.636513     10.747959     -1.284933
  H      -8.156972     10.088248     -1.969401
  H      -6.087465     10.826542      1.036788
  H      -4.748446     10.498047      3.106703
  H      -4.569776      3.531945      3.549771
  H      -6.546533      6.560961      0.707440
  H     -13.864883     -1.133388      2.003096
  H     -12.724111     -0.152522      1.012728
  H     -13.751194      0.634226      2.242675
  H     -11.754225      1.884181      1.700196
  H      -9.894056      3.494490      2.031005
  H      -6.540946      1.729557      7.169403
  H     -10.062919     -0.720537      4.748137
  N      -2.106234      1.855680      3.345223
  N      -1.635719      2.152901      2.175203
  H      -2.291093      2.676498      1.498337
  H      -0.869068      1.573420      1.791449
90
Coordinates from ORCA-job orca E -6724.620117027092
  N      -2.569308     -0.031840      5.508081
  Mo     -3.206516      1.768067      4.764620
  N      -4.701356      1.992314      6.201552
  C      -4.221704      2.754742      7.357569
  C      -2.798148      2.332750      7.698582
  N      -1.889683      2.227664      6.487138
  C      -0.902531      1.112717      6.689556
  C      -1.628352     -0.228925      6.582503
  C      -1.150442      3.511557      6.212933
  C      -2.128968      4.571211      5.725214
  N      -3.097113      3.853511      4.921721
  H      -0.902465     -1.027278      6.347619
  H      -2.147904     -0.508140      7.518163
  H      -0.160901      1.201046      5.883885
  H      -0.394846      1.234310      7.656258
  H      -2.629178      5.091734      6.558726
  H      -1.608813      5.339104      5.128842
  H      -0.612656      3.818180      7.122171
  H      -0.417356      3.285688      5.427313
  H      -4.853157      2.557031      8.239651
  H      -4.289183      3.833833      7.152661
  H      -2.834030      1.336367      8.155398
  H      -2.329954      3.020122      8.419179
  C      -5.231123      4.149569     -0.829481
  C      -4.673107      3.211466      0.198885
  O      -3.547281      3.374148      0.591001
  C      -5.516516      2.095818      0.696525
  C      -6.808169      1.844476      0.185664
  C      -7.568503      0.774026      0.656477
  C      -7.046143     -0.041685      1.651884
  F      -7.796344     -1.059776      2.077120
  C      -5.776623      0.199518      2.225330
  C      -5.211323     -0.669007      3.292096
  O      -5.577681     -1.858942      3.474260
  N      -4.170379     -0.072627      4.055841
  C      -3.458485     -0.799223      4.913233
  C      -5.036435      1.261835      1.708185
  C      -7.583910     10.128598     -1.050874
  C      -7.242127      8.759956     -0.515520
  O      -7.628037      7.742066     -1.076025
  C      -6.412818      8.671868      0.725301
  C      -5.878598      9.798392      1.368902
  C      -5.104240      9.649541      2.506198
  C      -4.854358      8.375110      3.004604
  F      -4.105741      8.306477      4.118304
  C      -5.369005      7.217507      2.395310
  C      -5.154510      5.805498      2.834974
  O      -5.804351      4.919690      2.328891
  N      -4.187021      5.609997      3.793911
  C      -3.966270      4.344324      4.077230
  C      -6.153910      7.410148      1.258238
  C     -13.168231     -0.304944      1.904899
  C     -12.122387     -0.552957      2.970788
  O     -12.170360     -1.575826      3.679117
  C     -11.025377      0.469542      3.164923
  C     -10.965555      1.659885      2.421057
  C      -9.935432      2.572334      2.627416
  C      -8.949671      2.283015      3.571742
  F      -7.968328      3.196546      3.757390
  C      -8.967895      1.105688      4.339217
  C      -7.950325      0.740746      5.405264
  O      -8.224938     -0.020659      6.328980
  N      -6.670450      1.265356      5.181857
  C      -6.009293      1.645589      6.228300
  C     -10.037240      0.229010      4.117657
  H      -6.149645      4.607457     -0.462498
  H      -4.500374      4.927408     -1.066478
  H      -5.480117      3.609221     -1.741476
  H      -7.231779      2.482415     -0.584933
  H      -8.574777      0.563148      0.275323
  H      -3.606908     -1.863047      5.088007
  H      -4.026376      1.432563      2.084987
  H      -8.111436     10.724690     -0.291891
  H      -6.667769     10.681549     -1.315936
  H      -8.214110     10.020320     -1.938113
  H      -6.064012     10.799567      0.984494
  H      -4.682778     10.508960      3.027712
  H      -4.574769      3.548052      3.556567
  H      -6.576461      6.532330      0.770090
  H     -13.862512     -1.175205      1.861403
  H     -12.708309     -0.154286      0.902884
  H     -13.723491      0.617509      2.144604
  H     -11.737108      1.889545      1.675513
  H      -9.876527      3.502491      2.078753
  H      -6.516949      1.740870      7.207444
  H     -10.086370     -0.680432      4.701930
  N      -2.115413      1.856380      3.335549
  N      -1.666974      2.150056      2.176405
  H      -2.319924      2.649297      1.522699
  H      -0.925055      1.560041      1.795160
90
Coordinates from ORCA-job orca E -6724.622227632317
  N      -2.570194     -0.036304      5.518938
  Mo     -3.207276      1.758210      4.756337
  N      -4.710959      1.988937      6.181844
  C      -4.237712      2.763637      7.338601
  C      -2.815102      2.349123      7.694291
  N      -1.900383      2.234071      6.489306
  C      -0.911864      1.120783      6.707258
  C      -1.635093     -0.221017      6.601715
  C      -1.163139      3.515737      6.212737
  C      -2.135919      4.569122      5.711782
  N      -3.097238      3.844788      4.906349
  H      -0.911993     -1.023561      6.382571
  H      -2.161758     -0.487325      7.533641
  H      -0.165684      1.199584      5.908245
  H      -0.411348      1.252225      7.681459
  H      -2.640037      5.096104      6.538179
  H      -1.612966      5.332130      5.114582
  H      -0.631311      3.831541      7.124840
  H      -0.425787      3.284251      5.433935
  H      -4.872825      2.573857      8.218288
  H      -4.307436      3.840143      7.123555
  H      -2.851728      1.358817      8.159810
  H      -2.353808      3.045276      8.412356
  C      -5.212306      4.098538     -0.846554
  C      -4.640550      3.162529      0.165865
  O      -3.442889      3.316701      0.550704
  C      -5.502039      2.061114      0.681002
  C      -6.788404      1.821377      0.181962
  C      -7.539000      0.761201      0.661674
  C      -7.024363     -0.059740      1.660081
  F      -7.780688     -1.070827      2.100440
  C      -5.763614      0.171748      2.224094
  C      -5.205084     -0.695892      3.295756
  O      -5.535254     -1.860882      3.506974
  N      -4.171299     -0.087310      4.053165
  C      -3.463500     -0.818870      4.918306
  C      -5.023625      1.226942      1.693935
  C      -7.600896     10.218162     -1.024847
  C      -7.245462      8.837997     -0.522180
  O      -7.615675      7.824526     -1.119211
  C      -6.421020      8.728294      0.727674
  C      -5.902465      9.849240      1.410205
  C      -5.130219      9.677945      2.560122
  C      -4.868957      8.388748      3.031457
  F      -4.127370      8.299392      4.158243
  C      -5.369639      7.236564      2.381207
  C      -5.154417      5.805844      2.787281
  O      -5.818118      4.906324      2.229998
  N      -4.182273      5.595254      3.763450
  C      -3.966571      4.330042      4.054107
  C      -6.149778      7.452524      1.232700
  C     -13.185435     -0.281427      1.993426
  C     -12.126012     -0.540391      3.039029
  O     -12.162972     -1.545814      3.781922
  C     -11.028034      0.459596      3.173171
  C     -10.962898      1.645680      2.380847
  C      -9.921925      2.539704      2.550008
  C      -8.933001      2.236107      3.504616
  F      -7.938233      3.125133      3.652648
  C      -8.963069      1.071551      4.309409
  C      -7.957180      0.735015      5.350647
  O      -8.261253      0.003542      6.307274
  N      -6.670089      1.239032      5.144211
  C      -6.020823      1.636660      6.192117
  C     -10.034450      0.209269      4.129739
  H      -6.124707      4.603078     -0.440118
  H      -4.452079      4.856330     -1.103992
  H      -5.520345      3.532949     -1.760415
  H      -7.205234      2.460614     -0.595016
  H      -8.532019      0.558736      0.283563
  H      -3.614623     -1.899910      5.096190
  H      -4.019172      1.388635      2.060587
  H      -8.141917     10.787957     -0.255848
  H      -6.690018     10.791104     -1.267296
  H      -8.222199     10.125898     -1.921689
  H      -6.097676     10.862061      1.049490
  H      -4.722905     10.531853      3.109667
  H      -4.572517      3.526987      3.533779
  H      -6.560233      6.580349      0.716485
  H     -13.883470     -1.098468      1.993419
  H     -12.738213     -0.173149      1.001852
  H     -13.736824      0.646519      2.206344
  H     -11.719171      1.855915      1.653703
  H      -9.848970      3.449341      1.977708
  H      -6.540158      1.740125      7.158657
  H     -10.094183     -0.676909      4.734287
  N      -2.104103      1.833666      3.340702
  N      -1.643707      2.109679      2.198530
  H      -2.283076      2.613015      1.523368
  H      -0.893070      1.531108      1.841350
90
Coordinates from ORCA-job orca E -6724.621374261912
  N      -2.566499     -0.038195      5.521724
  Mo     -3.203116      1.759480      4.764722
  N      -4.702390      1.988684      6.194835
  C      -4.224549      2.756762      7.349851
  C      -2.801341      2.336678      7.696941
  N      -1.890879      2.225400      6.489336
  C      -0.904936      1.109737      6.701360
  C      -1.629364     -0.229843      6.599059
  C      -1.152872      3.507716      6.210147
  C      -2.128569      4.565071      5.715037
  N      -3.093726      3.844832      4.913401
  H      -0.909981     -1.026877      6.373269
  H      -2.147724     -0.499735      7.529238
  H      -0.161877      1.191754      5.898728
  H      -0.399788      1.235718      7.669959
  H      -2.629196      5.090373      6.543564
  H      -1.608402      5.329085      5.117490
  H      -0.616550      3.819343      7.119404
  H      -0.419628      3.276199      5.428358
  H      -4.857967      2.563465      8.230725
  H      -4.292590      3.834910      7.139704
  H      -2.836569      1.341783      8.158105
  H      -2.335431      3.027622      8.414436
  C      -5.239748      4.133467     -0.830327
  C      -4.673302      3.192866      0.199449
  O      -3.477427      3.350303      0.613044
  C      -5.524497      2.078984      0.698699
  C      -6.812095      1.827797      0.188118
  C      -7.560035      0.761372      0.662494
  C      -7.034528     -0.054725      1.664944
  F      -7.786371     -1.071827      2.098581
  C      -5.769053      0.185558      2.236214
  C      -5.196186     -0.673932      3.305086
  O      -5.514443     -1.807370      3.513351
  N      -4.170016     -0.079378      4.057889
  C      -3.456835     -0.811583      4.924076
  C      -5.036394      1.247864      1.713116
  C      -7.569662     10.200149     -1.064222
  C      -7.219729      8.823838     -0.546567
  O      -7.581288      7.812878     -1.142860
  C      -6.411286      8.714089      0.711144
  C      -5.901605      9.830929      1.392713
  C      -5.142695      9.658919      2.547625
  C      -4.886398      8.373333      3.023054
  F      -4.156724      8.279759      4.152641
  C      -5.377763      7.226654      2.375873
  C      -5.159133      5.799057      2.787240
  O      -5.822272      4.889885      2.226677
  N      -4.182946      5.598294      3.769464
  C      -3.963853      4.335782      4.064565
  C      -6.145469      7.442348      1.223284
  C     -13.200385     -0.302979      1.925833
  C     -12.149035     -0.552338      2.985141
  O     -12.194641     -1.544425      3.682539
  C     -11.040847      0.452899      3.171311
  C     -10.963576      1.621661      2.441328
  C      -9.913049      2.532459      2.648153
  C      -8.933126      2.258684      3.571542
  F      -7.942786      3.178070      3.733187
  C      -8.963080      1.092979      4.333655
  C      -7.940623      0.747222      5.377398
  O      -8.213987      0.000498      6.306630
  N      -6.664395      1.257197      5.165482
  C      -6.012161      1.643300      6.217741
  C     -10.043500      0.204653      4.126583
  H      -6.152195      4.598684     -0.459932
  H      -4.511757      4.905369     -1.063609
  H      -5.502814      3.591733     -1.745064
  H      -7.240576      2.463683     -0.589761
  H      -8.562215      0.550392      0.278849
  H      -3.607040     -1.885943      5.103231
  H      -4.030209      1.417022      2.088191
  H      -8.122064     10.777381     -0.306038
  H      -6.657011     10.764412     -1.296345
  H      -8.178858     10.105823     -1.970147
  H      -6.091816     10.840617      1.027414
  H      -4.741776     10.508333      3.095982
  H      -4.572018      3.538010      3.545700
  H      -6.547019      6.573926      0.708657
  H     -13.900241     -1.160180      1.893558
  H     -12.744955     -0.162100      0.937334
  H     -13.753300      0.615475      2.157913
  H     -11.742271      1.866224      1.691435
  H      -9.850105      3.486469      2.083503
  H      -6.524118      1.746689      7.192160
  H     -10.094400     -0.729879      4.730977
  N      -2.107476      1.844225      3.337392
  N      -1.640793      2.134233      2.160648
  H      -2.283647      2.638442      1.496776
  H      -0.883436      1.544567      1.782495
90
Coordinates from ORCA-job orca E -6724.622556847134
  N      -2.576175     -0.032277      5.514861
  Mo     -3.214317      1.760392      4.754040
  N      -4.712125      1.992059      6.185742
  C      -4.240987      2.764217      7.340515
  C      -2.817096      2.348765      7.688509
  N      -1.907380      2.234584      6.480470
  C      -0.920621      1.122564      6.694925
  C      -1.644563     -0.219448      6.594846
  C      -1.170709      3.516680      6.200447
  C      -2.148659      4.571595      5.700862
  N      -3.113200      3.848255      4.898149
  H      -0.921601     -1.018607      6.372108
  H      -2.167086     -0.488211      7.526653
  H      -0.177146      1.205306      5.891899
  H      -0.416765      1.251780      7.663560
  H      -2.651982      5.099000      6.528077
  H      -1.628084      5.333903      5.101510
  H      -0.637667      3.831249      7.110039
  H      -0.435177      3.284795      5.420409
  H      -4.874291      2.570450      8.221477
  H      -4.312150      3.841565      7.129781
  H      -2.849744      1.356084      8.153005
  H      -2.351514      3.043427      8.404158
  C      -5.276211      4.133901     -0.829137
  C      -4.695898      3.194989      0.201685
  O      -3.571037      3.363998      0.594679
  C      -5.527075      2.067145      0.710582
  C      -6.809673      1.794336      0.204309
  C      -7.548590      0.709292      0.683731
  C      -7.021854     -0.100655      1.683578
  F      -7.756769     -1.131363      2.116342
  C      -5.761366      0.161769      2.252511
  C      -5.189525     -0.691253      3.318841
  O      -5.518636     -1.849627      3.512957
  N      -4.166623     -0.085213      4.064878
  C      -3.456105     -0.806711      4.923170
  C      -5.038680      1.239149      1.725510
  C      -7.522893     10.217382     -1.034340
  C      -7.194802      8.841122     -0.518294
  O      -7.575784      7.837858     -1.105794
  C      -6.383416      8.723774      0.729849
  C      -5.857217      9.832861      1.403732
  C      -5.101677      9.657287      2.547885
  C      -4.862846      8.374001      3.021098
  F      -4.135379      8.276886      4.142572
  C      -5.368617      7.234164      2.381428
  C      -5.165626      5.812616      2.798382
  O      -5.822380      4.919913      2.261789
  N      -4.194490      5.607312      3.767029
  C      -3.983358      4.340602      4.052441
  C      -6.134686      7.453039      1.238838
  C     -13.159207     -0.327478      1.970375
  C     -12.090281     -0.588567      3.009809
  O     -12.111050     -1.568499      3.699565
  C     -11.013218      0.438615      3.169449
  C     -10.966948      1.644893      2.401417
  C      -9.939451      2.560077      2.587902
  C      -8.947414      2.262380      3.529836
  F      -7.965701      3.164733      3.700608
  C      -8.963076      1.094785      4.305748
  C      -7.949568      0.747649      5.356956
  O      -8.233461      0.003862      6.285202
  N      -6.668809      1.264740      5.150429
  C      -6.019723      1.643777      6.205115
  C     -10.028400      0.209534      4.108133
  H      -6.189149      4.591296     -0.434045
  H      -4.541302      4.912051     -1.084308
  H      -5.551271      3.593256     -1.748931
  H      -7.235644      2.426554     -0.570719
  H      -8.542882      0.481415      0.305194
  H      -3.598585     -1.872157      5.101169
  H      -4.037080      1.427395      2.098872
  H      -8.062472     10.803203     -0.274870
  H      -6.600198     10.767550     -1.273005
  H      -8.138925     10.127717     -1.933426
  H      -6.034541     10.840424      1.039112
  H      -4.688268     10.501700      3.093078
  H      -4.593190      3.547749      3.532721
  H      -6.550638      6.590013      0.728329
  H     -13.846046     -1.175701      1.949546
  H     -12.717496     -0.187120      0.970668
  H     -13.726242      0.592049      2.208378
  H     -11.734903      1.868948      1.664395
  H      -9.879759      3.477013      2.037061
  H      -6.534098      1.740793      7.180141
  H     -10.074654     -0.700301      4.704437
  N      -2.125359      1.845269      3.323997
  N      -1.671677      2.137080      2.146777
  H      -2.329784      2.650783      1.483425
  H      -0.912271      1.554583      1.757767
90
Coordinates from ORCA-job orca E -6724.621938925658
  N      -2.552190     -0.032168      5.522273
  Mo     -3.198985      1.760218      4.760300
  N      -4.707172      1.984322      6.183845
  C      -4.239079      2.761008      7.339694
  C      -2.812996      2.353918      7.695836
  N      -1.894754      2.242405      6.491523
  C      -0.897540      1.134767      6.709370
  C      -1.613459     -0.213230      6.604309
  C      -1.162139      3.528517      6.214574
  C      -2.142002      4.578165      5.714350
  N      -3.101077      3.849618      4.907868
  H      -0.881936     -1.012427      6.383248
  H      -2.139508     -0.485126      7.538281
  H      -0.149901      1.219261      5.909773
  H      -0.397469      1.270104      7.681891
  H      -2.650091      5.102960      6.540944
  H      -1.621567      5.344706      5.117267
  H      -0.631829      3.846762      7.126240
  H      -0.422218      3.300747      5.435679
  H      -4.875082      2.565968      8.218700
  H      -4.314598      3.838261      7.125946
  H      -2.844634      1.362917      8.163173
  H      -2.355779      3.053787      8.412973
  C      -5.258207      4.103068     -0.820653
  C      -4.688507      3.167749      0.184447
  O      -3.520347      3.327096      0.565839
  C      -5.533686      2.060293      0.687194
  C      -6.836295      1.810433      0.188244
  C      -7.583697      0.739530      0.662869
  C      -7.044601     -0.079925      1.654607
  F      -7.788932     -1.100310      2.087448
  C      -5.769420      0.162272      2.219117
  C      -5.192954     -0.703855      3.290293
  O      -5.531386     -1.888170      3.490078
  N      -4.156691     -0.091724      4.053824
  C      -3.441875     -0.818235      4.921964
  C      -5.035827      1.226592      1.694811
  C      -7.566163     10.221212     -1.041700
  C      -7.233548      8.838682     -0.522947
  O      -7.640480      7.822790     -1.097383
  C      -6.397870      8.731825      0.723867
  C      -5.852850      9.853203      1.388554
  C      -5.074356      9.686080      2.535625
  C      -4.831859      8.399568      3.021914
  F      -4.082423      8.314525      4.146880
  C      -5.357130      7.246564      2.389363
  C      -5.157669      5.821301      2.813444
  O      -5.832813      4.942131      2.291506
  N      -4.186121      5.604595      3.775804
  C      -3.971391      4.337114      4.059280
  C      -6.144965      7.458228      1.244058
  C     -13.182242     -0.289291      1.948958
  C     -12.133996     -0.532193      2.994347
  O     -12.173930     -1.554600      3.724758
  C     -11.032367      0.454630      3.164118
  C     -10.968688      1.620779      2.411167
  C      -9.935485      2.514916      2.592278
  C      -8.947735      2.221577      3.529159
  F      -7.977667      3.144571      3.666940
  C      -8.960657      1.044910      4.322445
  C      -7.951963      0.707451      5.358239
  O      -8.250900     -0.037539      6.299344
  N      -6.665537      1.227907      5.147262
  C      -6.016526      1.627884      6.195216
  C     -10.028830      0.185590      4.127772
  H      -6.173381      4.596164     -0.436968
  H      -4.513561      4.862431     -1.058500
  H      -5.537539      3.545542     -1.724398
  H      -7.274580      2.448486     -0.580466
  H      -8.593530      0.528588      0.287618
  H      -3.587545     -1.896361      5.100293
  H      -4.021231      1.396631      2.060989
  H      -8.085439     10.814989     -0.269381
  H      -6.645022     10.772987     -1.305791
  H      -8.203597     10.127659     -1.931397
  H      -6.033821     10.864101      1.015290
  H      -4.646829     10.541347      3.073180
  H      -4.580648      3.538574      3.537061
  H      -6.577390      6.585100      0.741431
  H     -13.879084     -1.141067      1.929673
  H     -12.715887     -0.156462      0.953505
  H     -13.743005      0.630480      2.174256
  H     -11.733496      1.840555      1.682190
  H      -9.882999      3.459355      2.012032
  H      -6.536975      1.727903      7.164382
  H     -10.081247     -0.703045      4.716999
  N      -2.096503      1.846187      3.343350
  N      -1.639831      2.133950      2.191751
  H      -2.291982      2.633940      1.522444
  H      -0.883285      1.556045      1.824646
90
Coordinates from ORCA-job orca E -6724.622406371691
  N      -2.569016     -0.038880      5.527487
  Mo     -3.203273      1.755518      4.759243
  N      -4.698983      1.995347      6.190959
  C      -4.216434      2.771083      7.341394
  C      -2.793495      2.354799      7.690727
  N      -1.887400      2.233036      6.480915
  C      -0.902892      1.118511      6.699797
  C      -1.629913     -0.220141      6.606984
  C      -1.149029      3.511989      6.191341
  C      -2.122547      4.564912      5.691373
  N      -3.089946      3.840870      4.895306
  H      -0.912838     -1.022156      6.389164
  H      -2.149632     -0.478819      7.541532
  H      -0.162426      1.191662      5.895153
  H      -0.397436      1.252166      7.669362
  H      -2.619261      5.096078      6.517756
  H      -1.602696      5.324422      5.086750
  H      -0.610055      3.830303      7.097745
  H      -0.418301      3.275744      5.407898
  H      -4.846790      2.584359      8.225655
  H      -4.285078      3.847094      7.122624
  H      -2.828496      1.366163      8.163265
  H      -2.326390      3.053302      8.401173
  C      -5.197627      4.085484     -0.859104
  C      -4.641493      3.145338      0.156679
  O      -3.437069      3.292226      0.535982
  C      -5.507036      2.045274      0.678341
  C      -6.782436      1.801568      0.173921
  C      -7.539557      0.743910      0.659236
  C      -7.034850     -0.069812      1.666268
  F      -7.800318     -1.078695      2.112865
  C      -5.778531      0.165279      2.233307
  C      -5.220815     -0.696547      3.309805
  O      -5.547012     -1.850011      3.522907
  N      -4.179402     -0.092975      4.066164
  C      -3.462851     -0.820182      4.932562
  C      -5.037769      1.217449      1.699643
  C      -7.604363     10.204506     -1.010547
  C      -7.227641      8.830196     -0.514718
  O      -7.565158      7.823082     -1.116551
  C      -6.426332      8.720201      0.737133
  C      -5.947952      9.840227      1.431331
  C      -5.196348      9.669613      2.583478
  C      -4.916871      8.381879      3.046159
  F      -4.198982      8.292561      4.177510
  C      -5.378897      7.230546      2.384799
  C      -5.145276      5.802150      2.784735
  O      -5.786915      4.897667      2.221905
  N      -4.173706      5.598997      3.758271
  C      -3.962757      4.332884      4.049118
  C      -6.137638      7.445069      1.232961
  C     -13.198669     -0.282792      1.936738
  C     -12.148973     -0.530342      3.001384
  O     -12.202445     -1.528730      3.731833
  C     -11.037537      0.482732      3.159019
  C     -10.955187      1.664733      2.384729
  C      -9.897202      2.559783      2.584940
  C      -8.918678      2.275565      3.535995
  F      -7.908701      3.160168      3.708669
  C      -8.965969      1.125409      4.318124
  C      -7.947443      0.771495      5.381299
  O      -8.229288      0.036017      6.341532
  N      -6.669456      1.258129      5.170084
  C      -6.010278      1.651794      6.213684
  C     -10.048225      0.243089      4.123993
  H      -6.094761      4.580378     -0.461426
  H      -4.445570      4.842028     -1.112602
  H      -5.496784      3.535512     -1.770104
  H      -7.189631      2.435853     -0.610703
  H      -8.525706      0.538035      0.277734
  H      -3.614000     -1.897481      5.113352
  H      -4.040733      1.381598      2.070521
  H      -8.165961     10.752473     -0.251731
  H      -6.708647     10.795742     -1.232010
  H      -8.205817     10.110903     -1.911547
  H      -6.158209     10.852480      1.077536
  H      -4.819852     10.522174      3.142408
  H      -4.576667      3.537479      3.534285
  H      -6.516955      6.573053      0.705725
  H     -13.900926     -1.118945      1.922575
  H     -12.749750     -0.167623      0.939684
  H     -13.742263      0.650498      2.155122
  H     -11.722169      1.893037      1.629914
  H      -9.811980      3.476694      2.019808
  H      -6.520611      1.763251      7.184011
  H     -10.106932     -0.689188      4.752701
  N      -2.109012      1.823827      3.336536
  N      -1.660164      2.094204      2.195451
  H      -2.303583      2.586427      1.528719
  H      -0.920329      1.514052      1.836853
90
Coordinates from ORCA-job orca E -6724.621723894725
  N      -2.568253     -0.038314      5.519580
  Mo     -3.212236      1.752797      4.758228
  N      -4.714514      1.980692      6.182997
  C      -4.245940      2.752534      7.337585
  C      -2.821161      2.339785      7.686785
  N      -1.907095      2.228920      6.481465
  C      -0.916057      1.118336      6.696157
  C      -1.633607     -0.226011      6.597010
  C      -1.174627      3.514780      6.199350
  C      -2.156664      4.567641      5.700867
  N      -3.119267      3.842249      4.899179
  H      -0.907669     -1.020292      6.371468
  H      -2.151992     -0.499495      7.527730
  H      -0.172408      1.204148      5.893850
  H      -0.411568      1.247964      7.662737
  H      -2.661562      5.093054      6.527663
  H      -1.639177      5.333093      5.102645
  H      -0.640838      3.830019      7.107576
  H      -0.439738      3.283750      5.419685
  H      -4.881336      2.556092      8.216272
  H      -4.319094      3.830039      7.127942
  H      -2.850979      1.345783      8.149655
  H      -2.359497      3.035159      8.402304
  C      -5.287206      4.133573     -0.816574
  C      -4.695602      3.197804      0.224043
  O      -3.536351      3.369327      0.637789
  C      -5.529593      2.068646      0.722516
  C      -6.817166      1.804214      0.213782
  C      -7.550982      0.726650      0.685780
  C      -7.013213     -0.087523      1.682960
  F      -7.747533     -1.114057      2.113601
  C      -5.750419      0.164324      2.251843
  C      -5.170677     -0.691255      3.314604
  O      -5.489895     -1.832881      3.517280
  N      -4.157385     -0.087893      4.062418
  C      -3.445769     -0.812127      4.926793
  C      -5.031027      1.237075      1.732359
  C      -7.492348     10.248126     -1.085513
  C      -7.177200      8.866330     -0.562180
  O      -7.555598      7.862158     -1.165990
  C      -6.379678      8.742349      0.706961
  C      -5.857067      9.848859      1.400703
  C      -5.111766      9.664201      2.564184
  C      -4.880132      8.375860      3.035075
  F      -4.161976      8.267990      4.172931
  C      -5.382398      7.239658      2.376412
  C      -5.183942      5.810102      2.784742
  O      -5.860530      4.908814      2.219822
  N      -4.204731      5.601566      3.765995
  C      -3.989947      4.336305      4.053994
  C      -6.138527      7.467752      1.216288
  C     -13.174728     -0.334066      1.964521
  C     -12.102133     -0.605525      3.010980
  O     -12.120468     -1.599439      3.691467
  C     -11.020484      0.417163      3.187435
  C     -10.975763      1.623590      2.449682
  C      -9.948978      2.555359      2.644956
  C      -8.957935      2.268819      3.563170
  F      -7.980983      3.189082      3.737960
  C      -8.965469      1.081550      4.319398
  C      -7.943272      0.735133      5.353226
  O      -8.212006     -0.026014      6.264180
  N      -6.666511      1.255170      5.146089
  C      -6.021231      1.634119      6.205186
  C     -10.029165      0.185971      4.112706
  H      -6.211464      4.579440     -0.438557
  H      -4.564372      4.921934     -1.058524
  H      -5.546181      3.589697     -1.738815
  H      -7.256081      2.439388     -0.558318
  H      -8.553326      0.506235      0.305426
  H      -3.587029     -1.879731      5.108948
  H      -4.022444      1.415808      2.106159
  H      -8.045897     10.841149     -0.329573
  H      -6.559371     10.791131     -1.306874
  H      -8.096057     10.163453     -2.003621
  H      -6.027313     10.859557      1.038230
  H      -4.701941     10.505373      3.122712
  H      -4.600199      3.545730      3.532565
  H      -6.549526      6.607900      0.693188
  H     -13.855694     -1.176249      1.929152
  H     -12.738357     -0.177002      0.980027
  H     -13.744252      0.574948      2.209518
  H     -11.753726      1.859389      1.715561
  H      -9.899048      3.493559      2.104482
  H      -6.533668      1.733421      7.180954
  H     -10.070354     -0.727228      4.688398
  N      -2.120331      1.845673      3.325686
  N      -1.653954      2.144626      2.128523
  H      -2.305115      2.653704      1.465416
  H      -0.884232      1.557266      1.739634
90
Coordinates from ORCA-job orca E -6724.623479342138
  N      -2.570775     -0.028040      5.522365
  Mo     -3.211055      1.760064      4.751106
  N      -4.708504      1.998203      6.180655
  C      -4.237644      2.782003      7.330293
  C      -2.812348      2.374358      7.683189
  N      -1.902928      2.251231      6.475449
  C      -0.912572      1.143056      6.696947
  C      -1.633318     -0.202795      6.603117
  C      -1.169111      3.531924      6.186328
  C      -2.148130      4.579769      5.680252
  N      -3.111334      3.848457      4.881643
  H      -0.908417     -1.004085      6.388318
  H      -2.156788     -0.464197      7.538377
  H      -0.169489      1.220312      5.893276
  H      -0.410424      1.280640      7.667509
  H      -2.651973      5.111805      6.504598
  H      -1.629245      5.339435      5.075851
  H      -0.635118      3.855660      7.093503
  H      -0.434015      3.296967      5.406048
  H      -4.868872      2.594287      8.213673
  H      -4.312937      3.857162      7.109293
  H      -2.843221      1.388243      8.159699
  H      -2.350191      3.078982      8.392890
  C      -5.298342      4.108130     -0.802138
  C      -4.717251      3.158597      0.202369
  O      -3.566606      3.310361      0.575660
  C      -5.550681      2.039659      0.714458
  C      -6.843103      1.773305      0.222169
  C      -7.581634      0.690850      0.706791
  C      -7.045970     -0.121822      1.699658
  F      -7.779430     -1.148810      2.138955
  C      -5.778266      0.135646      2.256424
  C      -5.202571     -0.719022      3.322791
  O      -5.520114     -1.878024      3.523638
  N      -4.173903     -0.102468      4.068931
  C      -3.456442     -0.818050      4.930233
  C      -5.054289      1.210368      1.723675
  C      -7.527866     10.257813     -1.009966
  C      -7.198940      8.876321     -0.504877
  O      -7.598842      7.872760     -1.088182
  C      -6.375933      8.753116      0.736792
  C      -5.838751      9.860001      1.410507
  C      -5.075365      9.677973      2.551539
  C      -4.840873      8.391219      3.022098
  F      -4.107852      8.289612      4.142156
  C      -5.358348      7.253094      2.381406
  C      -5.166032      5.827618      2.795908
  O      -5.842166      4.947360      2.274599
  N      -4.189182      5.608457      3.753497
  C      -3.985637      4.340005      4.038135
  C      -6.130381      7.478935      1.241924
  C     -13.142088     -0.323062      1.936989
  C     -12.113293     -0.541566      2.979181
  O     -12.161837     -1.528931      3.689053
  C     -11.019163      0.460924      3.145781
  C     -10.949102      1.626118      2.383976
  C      -9.913932      2.515843      2.566175
  C      -8.927683      2.210938      3.520679
  F      -7.946596      3.112057      3.668051
  C      -8.953889      1.050768      4.315270
  C      -7.952887      0.708580      5.365796
  O      -8.259508     -0.019941      6.299027
  N      -6.662620      1.233738      5.152926
  C      -6.016931      1.641629      6.196313
  C     -10.027483      0.198683      4.114572
  H      -6.198715      4.584092     -0.397316
  H      -4.563286      4.873634     -1.052582
  H      -5.588809      3.572019     -1.713157
  H      -7.276879      2.407152     -0.547464
  H      -8.584284      0.466462      0.337833
  H      -3.600410     -1.892163      5.110480
  H      -4.045806      1.394666      2.086590
  H      -8.052019     10.840698     -0.240570
  H      -6.608393     10.809934     -1.261034
  H      -8.156696     10.173757     -1.898738
  H      -6.014241     10.871043      1.049076
  H      -4.654195     10.521322      3.096490
  H      -4.601555      3.548085      3.523655
  H      -6.555547      6.617738      0.731710
  H     -13.844604     -1.198044      1.914596
  H     -12.651404     -0.189092      0.943160
  H     -13.704128      0.593761      2.159548
  H     -11.706902      1.843847      1.650062
  H      -9.854901      3.452429      1.982111
  H      -6.537876      1.745974      7.165528
  H     -10.081463     -0.701622      4.721620
  N      -2.115239      1.831092      3.326334
  N      -1.659038      2.110234      2.157888
  H      -2.307319      2.621992      1.489311
  H      -0.899095      1.527524      1.780153
90
Coordinates from ORCA-job orca E -6724.621704930197
  N      -2.548658     -0.035065      5.535421
  Mo     -3.193940      1.754380      4.764496
  N      -4.697492      1.987865      6.189958
  C      -4.223100      2.767359      7.340910
  C      -2.797282      2.360092      7.694819
  N      -1.884258      2.241677      6.487304
  C      -0.889741      1.133429      6.709113
  C      -1.608378     -0.210690      6.616250
  C      -1.151629      3.525275      6.198127
  C      -2.131693      4.572675      5.696385
  N      -3.095080      3.843122      4.897589
  H      -0.881729     -1.010969      6.398976
  H      -2.129940     -0.473367      7.552502
  H      -0.146649      1.211173      5.905726
  H      -0.386485      1.273320      7.678642
  H      -2.634254      5.101622      6.522125
  H      -1.613620      5.335569      5.093114
  H      -0.616477      3.847311      7.105262
  H      -0.416829      3.291893      5.416613
  H      -4.856389      2.576688      8.222851
  H      -4.297231      3.843343      7.122147
  H      -2.827563      1.371584      8.168499
  H      -2.336789      3.063011      8.405422
  C      -5.252076      4.072579     -0.843637
  C      -4.683500      3.143029      0.166087
  O      -3.513609      3.301733      0.541036
  C      -5.533041      2.037340      0.677382
  C      -6.827829      1.779117      0.170716
  C      -7.575288      0.710308      0.650752
  C      -7.045463     -0.099553      1.655321
  F      -7.798428     -1.119749      2.096788
  C      -5.771299      0.150715      2.224868
  C      -5.195123     -0.709125      3.305216
  O      -5.533110     -1.896176      3.511446
  N      -4.156463     -0.095780      4.068781
  C      -3.437402     -0.821304      4.939601
  C      -5.039438      1.212990      1.695305
  C      -7.578985     10.220950     -1.033888
  C      -7.221696      8.840296     -0.527227
  O      -7.585759      7.827335     -1.122113
  C      -6.408903      8.733036      0.730328
  C      -5.907341      9.857545      1.419067
  C      -5.148165      9.690699      2.576950
  C      -4.882450      8.401518      3.051417
  F      -4.155508      8.316951      4.189334
  C      -5.366215      7.245190      2.395187
  C      -5.146267      5.818518      2.806769
  O      -5.799376      4.932851      2.266000
  N      -4.176304      5.605292      3.769455
  C      -3.967676      4.335671      4.052626
  C      -6.133708      7.455975      1.237809
  C     -13.204587     -0.244054      1.910952
  C     -12.134172     -0.541152      2.987500
  O     -12.174207     -1.558128      3.712484
  C     -11.026102      0.454575      3.161382
  C     -10.954448      1.636387      2.409160
  C      -9.909658      2.538267      2.608072
  C      -8.930366      2.257126      3.542409
  F      -7.945075      3.175489      3.702237
  C      -8.959243      1.086767      4.318788
  C      -7.943595      0.738651      5.366817
  O      -8.230770     -0.015215      6.319070
  N      -6.663212      1.240552      5.160182
  C      -6.008690      1.637590      6.207844
  C     -10.029104      0.199106      4.123098
  H      -6.167638      4.566093     -0.452692
  H      -4.502724      4.832005     -1.086985
  H      -5.538875      3.512799     -1.751575
  H      -7.255373      2.410195     -0.609253
  H      -8.575315      0.493198      0.269290
  H      -3.582442     -1.898424      5.121947
  H      -4.032604      1.388318      2.066130
  H      -8.129486     10.788320     -0.268461
  H      -6.669332     10.798036     -1.267607
  H      -8.192425     10.127055     -1.937008
  H      -6.106808     10.870855      1.055974
  H      -4.754356     10.547883      3.132723
  H      -4.583125      3.543724      3.533415
  H      -6.531813      6.579415      0.714653
  H     -13.899441     -1.060423      1.881601
  H     -12.784255     -0.114999      0.907575
  H     -13.742152      0.694179      2.143722
  H     -11.721923      1.862944      1.667343
  H      -9.838313      3.467297      2.049235
  H      -6.524310      1.745176      7.178037
  H     -10.083783     -0.719969      4.724907
  N      -2.098103      1.831326      3.344576
  N      -1.653945      2.110566      2.199848
  H      -2.306966      2.604208      1.535923
  H      -0.908632      1.533774      1.835661
90
Coordinates from ORCA-job orca E -6724.622474694822
  N      -2.565305     -0.044043      5.528781
  Mo     -3.206169      1.744377      4.754542
  N      -4.708411      1.981255      6.179717
  C      -4.237430      2.759136      7.330699
  C      -2.812861      2.348962      7.682794
  N      -1.900723      2.228616      6.477325
  C      -0.911229      1.117966      6.699612
  C      -1.630939     -0.224508      6.608213
  C      -1.167605      3.511246      6.187483
  C      -2.146585      4.561460      5.684594
  N      -3.110123      3.833857      4.886244
  H      -0.908830     -1.023506      6.390053
  H      -2.151121     -0.487064      7.540677
  H      -0.167839      1.195483      5.896999
  H      -0.407462      1.254028      7.667270
  H      -2.649653      5.092766      6.508304
  H      -1.627654      5.322811      5.081764
  H      -0.632780      3.832545      7.094028
  H      -0.433274      3.274628      5.408008
  H      -4.872626      2.568382      8.211084
  H      -4.310133      3.835312      7.114332
  H      -2.843125      1.359194      8.154184
  H      -2.350594      3.050058      8.392592
  C      -5.243874      4.101220     -0.836854
  C      -4.663694      3.168127      0.194684
  O      -3.464813      3.337181      0.592603
  C      -5.517691      2.053184      0.710866
  C      -6.793238      1.803743      0.206617
  C      -7.536311      0.739737      0.683292
  C      -7.015040     -0.076207      1.682718
  F      -7.760432     -1.092709      2.119161
  C      -5.762266      0.161877      2.248954
  C      -5.189329     -0.698867      3.316461
  O      -5.514816     -1.855274      3.525822
  N      -4.161110     -0.097340      4.069407
  C      -3.445752     -0.822905      4.934144
  C      -5.036240      1.222397      1.725388
  C      -7.521921     10.241153     -1.059658
  C      -7.184118      8.859972     -0.550617
  O      -7.532897      7.857514     -1.163377
  C      -6.398489      8.737059      0.718446
  C      -5.907144      9.848581      1.424170
  C      -5.171099      9.666495      2.591352
  C      -4.917430      8.375589      3.055005
  F      -4.211479      8.271959      4.198683
  C      -5.389752      7.233501      2.382443
  C      -5.172280      5.802183      2.779579
  O      -5.833119      4.899807      2.207877
  N      -4.194070      5.594685      3.756700
  C      -3.983839      4.328135      4.043273
  C      -6.136733      7.459104      1.218258
  C     -13.177140     -0.341436      1.982605
  C     -12.120978     -0.562624      3.005732
  O     -12.141488     -1.589955      3.711280
  C     -11.032368      0.465349      3.170433
  C     -10.985318      1.679049      2.423511
  C      -9.946800      2.594988      2.625099
  C      -8.949749      2.294330      3.549827
  F      -7.961066      3.196927      3.729284
  C      -8.963728      1.111856      4.304611
  C      -7.934909      0.753518      5.340459
  O      -8.198208     -0.011407      6.274346
  N      -6.664700      1.253789      5.144014
  C      -6.016701      1.634875      6.201466
  C     -10.034807      0.226295      4.097749
  H      -6.153582      4.565543     -0.450376
  H      -4.509833      4.878894     -1.090166
  H      -5.520379      3.552143     -1.750028
  H      -7.216835      2.440083     -0.571115
  H      -8.528142      0.530675      0.303672
  H      -3.587855     -1.894142      5.115996
  H      -4.035762      1.390325      2.096016
  H      -8.090282     10.809144     -0.307350
  H      -6.603866     10.808080     -1.266410
  H      -8.112012     10.157184     -1.978295
  H      -6.094953     10.861731      1.068469
  H      -4.786088     10.511666      3.158892
  H      -4.600611      3.537538      3.524539
  H      -6.524290      6.594452      0.684072
  H     -13.855300     -1.210684      1.966287
  H     -12.698963     -0.177720      1.010623
  H     -13.776298      0.552129      2.220898
  H     -11.774920      1.935546      1.674625
  H      -9.892157      3.528354      2.086006
  H      -6.528848      1.742039      7.173713
  H     -10.080850     -0.677822      4.669614
  N      -2.115105      1.827264      3.326276
  N      -1.660245      2.113099      2.156146
  H      -2.309985      2.613444      1.496483
  H      -0.906429      1.531373      1.778902
90
Coordinates from ORCA-job orca E -6724.622001568408
  N      -2.566823     -0.030033      5.524001
  Mo     -3.215902      1.754693      4.750337
  N      -4.712036      1.991121      6.179538
  C      -4.240722      2.776474      7.326924
  C      -2.812781      2.373290      7.676625
  N      -1.904902      2.252338      6.468154
  C      -0.909374      1.147372      6.689084
  C      -1.625232     -0.202607      6.601743
  C      -1.176096      3.536301      6.172845
  C      -2.161624      4.580855      5.668463
  N      -3.125171      3.845697      4.874260
  H      -0.896518     -0.999083      6.383453
  H      -2.142995     -0.468263      7.538621
  H      -0.168888      1.227829      5.883205
  H      -0.402518      1.287708      7.656343
  H      -2.665006      5.111958      6.492975
  H      -1.647545      5.342629      5.061678
  H      -0.639705      3.862473      7.077178
  H      -0.443029      3.302043      5.391344
  H      -4.869964      2.586440      8.211010
  H      -4.319901      3.851842      7.106100
  H      -2.838631      1.386293      8.153127
  H      -2.350999      3.079518      8.383798
  C      -5.315587      4.114054     -0.788043
  C      -4.727676      3.164353      0.225153
  O      -3.569128      3.319729      0.613097
  C      -5.555618      2.038566      0.731080
  C      -6.845621      1.768244      0.235001
  C      -7.577965      0.684735      0.717012
  C      -7.035557     -0.127163      1.709461
  F      -7.764981     -1.156255      2.146972
  C      -5.769150      0.132326      2.267243
  C      -5.186147     -0.719088      3.328079
  O      -5.491397     -1.852355      3.531650
  N      -4.166929     -0.104030      4.071781
  C      -3.448601     -0.817334      4.934933
  C      -5.051733      1.209662      1.737428
  C      -7.481745     10.284231     -1.039871
  C      -7.173005      8.900249     -0.527566
  O      -7.571298      7.899678     -1.120435
  C      -6.366673      8.768885      0.725840
  C      -5.830558      9.868887      1.410850
  C      -5.081611      9.677685      2.561704
  C      -4.860318      8.388950      3.029024
  F      -4.140465      8.276560      4.157026
  C      -5.376471      7.258327      2.377618
  C      -5.192096      5.828512      2.786726
  O      -5.882554      4.939717      2.245883
  N      -4.207618      5.606422      3.749686
  C      -4.002238      4.338452      4.033198
  C      -6.134850      7.493330      1.229714
  C     -13.155713     -0.311056      1.910960
  C     -12.109611     -0.581419      2.983461
  O     -12.156093     -1.549611      3.670500
  C     -11.015480      0.421703      3.165154
  C     -10.946886      1.598268      2.414554
  C      -9.913926      2.507714      2.605071
  C      -8.931685      2.212003      3.551844
  F      -7.945358      3.112940      3.721343
  C      -8.957851      1.043191      4.330680
  C      -7.953536      0.699550      5.379119
  O      -8.247594     -0.038259      6.295054
  N      -6.666352      1.231554      5.158855
  C      -6.019064      1.635509      6.202221
  C     -10.029048      0.173000      4.122900
  H      -6.224486      4.576646     -0.386799
  H      -4.586773      4.890953     -1.033721
  H      -5.596110      3.577773     -1.706438
  H      -7.286178      2.401675     -0.533282
  H      -8.581016      0.458955      0.346464
  H      -3.587133     -1.888151      5.117789
  H      -4.041255      1.395334      2.101300
  H      -8.015332     10.874908     -0.278733
  H      -6.551752     10.824760     -1.275020
  H      -8.096931     10.205438     -1.941456
  H      -5.994435     10.880897      1.051272
  H      -4.661630     10.514883      3.114903
  H      -4.618950      3.549646      3.519338
  H      -6.557109      6.638098      0.711127
  H     -13.859364     -1.160527      1.866027
  H     -12.702822     -0.172564      0.913405
  H     -13.694948      0.612985      2.144500
  H     -11.698452      1.807690      1.689969
  H      -9.852814      3.447391      2.035859
  H      -6.534383      1.739466      7.174747
  H     -10.077778     -0.752142      4.732908
  N      -2.122529      1.829352      3.317910
  N      -1.662174      2.108534      2.137435
  H      -2.307165      2.617057      1.468771
  H      -0.899328      1.522393      1.761559
90
Coordinates from ORCA-job orca E -6724.624832952132
  N      -2.551966     -0.035954      5.537925
  Mo     -3.199194      1.749613      4.763933
  N      -4.699655      1.985412      6.189151
  C      -4.226355      2.764760      7.338882
  C      -2.800637      2.358220      7.689765
  N      -1.888149      2.238225      6.480858
  C      -0.893430      1.131825      6.702545
  C      -1.611169     -0.210811      6.615789
  C      -1.156940      3.520912      6.186390
  C      -2.138051      4.567358      5.686736
  N      -3.104695      3.838707      4.892383
  H      -0.887469     -1.011084      6.399073
  H      -2.129670     -0.469966      7.553908
  H      -0.152893      1.209182      5.896928
  H      -0.387925      1.274265      7.669147
  H      -2.637754      5.096794      6.513500
  H      -1.622248      5.328888      5.081541
  H      -0.619138      3.842704      7.090340
  H      -0.425790      3.285750      5.403289
  H      -4.858970      2.574029      8.221234
  H      -4.300796      3.839648      7.120724
  H      -2.828501      1.370280      8.163830
  H      -2.339653      3.062317      8.398048
  C      -5.304988      4.071656     -0.835783
  C      -4.716886      3.142372      0.176203
  O      -3.570035      3.308418      0.546629
  C      -5.549167      2.026415      0.694238
  C      -6.845971      1.751505      0.196172
  C      -7.578214      0.669388      0.681336
  C      -7.034609     -0.135594      1.681591
  F      -7.773328     -1.163358      2.128447
  C      -5.763397      0.130254      2.244147
  C      -5.183415     -0.721090      3.320611
  O      -5.511850     -1.897517      3.529146
  N      -4.154990     -0.099625      4.074887
  C      -3.436395     -0.821644      4.945862
  C      -5.042230      1.204871      1.709317
  C      -7.533395     10.234403     -1.039764
  C      -7.181499      8.853486     -0.535156
  O      -7.530716      7.845833     -1.145030
  C      -6.387458      8.739233      0.733371
  C      -5.899648      9.857922      1.437893
  C      -5.158824      9.684866      2.602974
  C      -4.897925      8.395540      3.068689
  F      -4.190387      8.302285      4.214716
  C      -5.367442      7.245804      2.398188
  C      -5.151944      5.820294      2.805956
  O      -5.798210      4.937955      2.263737
  N      -4.183070      5.606854      3.772072
  C      -3.979327      4.335796      4.053017
  C      -6.116358      7.461680      1.233234
  C     -13.159286     -0.280956      1.931533
  C     -12.100280     -0.518060      2.969606
  O     -12.118054     -1.528240      3.679511
  C     -11.015293      0.488308      3.135803
  C     -10.958939      1.667938      2.390924
  C      -9.927260      2.565953      2.590360
  C      -8.943900      2.280882      3.523338
  F      -7.973645      3.205300      3.682612
  C      -8.959974      1.110911      4.298730
  C      -7.944396      0.761377      5.348758
  O      -8.233849      0.018321      6.290060
  N      -6.659276      1.256090      5.150892
  C      -6.009661      1.640897      6.205613
  C     -10.017050      0.224173      4.101304
  H      -6.220997      4.544311     -0.443056
  H      -4.577734      4.842759     -1.083058
  H      -5.586096      3.518787     -1.740646
  H      -7.285936      2.378287     -0.579704
  H      -8.578082      0.439252      0.306176
  H      -3.578587     -1.898078      5.131154
  H      -4.037037      1.392639      2.077072
  H      -8.100672     10.797206     -0.281015
  H      -6.618797     10.813374     -1.251553
  H      -8.130381     10.143861     -1.956098
  H      -6.096234     10.871625      1.081097
  H      -4.776172     10.537422      3.171790
  H      -4.599395      3.551136      3.534146
  H      -6.504660      6.589713      0.698724
  H     -13.832807     -1.131583      1.919481
  H     -12.694319     -0.129070      0.943795
  H     -13.756652      0.622145      2.162419
  H     -11.728656      1.898760      1.652188
  H      -9.865588      3.491559      2.035743
  H      -6.526943      1.749777      7.175485
  H     -10.064134     -0.695770      4.700358
  N      -2.111055      1.831452      3.339547
  N      -1.666856      2.121291      2.172587
  H      -2.331993      2.620453      1.505946
  H      -0.909621      1.545483      1.788358
90
Coordinates from ORCA-job orca E -6724.621250619938
  N      -2.552170     -0.032861      5.539858
  Mo     -3.200477      1.748925      4.751745
  N      -4.696418      1.996686      6.180205
  C      -4.218112      2.788630      7.322617
  C      -2.789827      2.387691      7.674923
  N      -1.884390      2.256501      6.466401
  C      -0.891074      1.151359      6.696466
  C      -1.608783     -0.195758      6.619210
  C      -1.155769      3.536865      6.160954
  C      -2.139967      4.578261      5.652618
  N      -3.106750      3.839353      4.865394
  H      -0.884553     -0.996363      6.408336
  H      -2.126042     -0.448966      7.556924
  H      -0.152453      1.220488      5.889869
  H      -0.383621      1.299663      7.663831
  H      -2.638970      5.115543      6.474961
  H      -1.627135      5.336119      5.039527
  H      -0.615279      3.869869      7.062440
  H      -0.425484      3.295984      5.378347
  H      -4.845370      2.605261      8.209352
  H      -4.296931      3.862741      7.093339
  H      -2.816348      1.405149      8.160201
  H      -2.326825      3.099539      8.376114
  C      -5.298343      4.057620     -0.817742
  C      -4.714586      3.121908      0.196111
  O      -3.524582      3.284096      0.570496
  C      -5.556136      2.007317      0.720578
  C      -6.839691      1.742581      0.224738
  C      -7.574046      0.669622      0.710312
  C      -7.036790     -0.138826      1.708599
  F      -7.770270     -1.163680      2.152491
  C      -5.771953      0.116844      2.266560
  C      -5.185270     -0.735556      3.338911
  O      -5.506711     -1.906912      3.551720
  N      -4.155610     -0.118887      4.086297
  C      -3.436690     -0.829507      4.953208
  C      -5.057350      1.184762      1.733661
  C      -7.519037     10.278505     -1.020986
  C      -7.175784      8.893725     -0.529642
  O      -7.514149      7.897458     -1.150736
  C      -6.397701      8.760452      0.737470
  C      -5.921284      9.865947      1.455624
  C      -5.192815      9.675124      2.620296
  C      -4.931859      8.381047      3.070310
  F      -4.234987      8.270625      4.213172
  C      -5.390090      7.243633      2.384122
  C      -5.164832      5.810237      2.768152
  O      -5.822004      4.915740      2.204856
  N      -4.190425      5.597631      3.736650
  C      -3.987214      4.329445      4.024335
  C      -6.129079      7.478198      1.221968
  C     -13.181894     -0.252076      1.880447
  C     -12.140169     -0.545237      2.969416
  O     -12.216611     -1.557724      3.683411
  C     -11.011459      0.445784      3.161762
  C     -10.920561      1.643638      2.405580
  C      -9.866454      2.548678      2.609230
  C      -8.887966      2.231894      3.564969
  F      -7.882593      3.124972      3.739397
  C      -8.943029      1.062430      4.331786
  C      -7.944816      0.717130      5.370719
  O      -8.252372     -0.033190      6.312938
  N      -6.658736      1.236588      5.159487
  C      -6.007059      1.644728      6.200713
  C     -10.034712      0.203822      4.109581
  H      -6.200543      4.533353     -0.405580
  H      -4.555846      4.826902     -1.080435
  H      -5.601704      3.510719     -1.733328
  H      -7.271846      2.372449     -0.552096
  H      -8.569724      0.447929      0.337216
  H      -3.576599     -1.904370      5.143537
  H      -4.051718      1.366053      2.096005
  H      -8.092980     10.829816     -0.267961
  H      -6.606278     10.855162     -1.215721
  H      -8.101263     10.203845     -1.938916
  H      -6.115557     10.882491      1.110786
  H      -4.819146     10.516379      3.197695
  H      -4.607028      3.537436      3.514112
  H      -6.504396      6.617145      0.675164
  H     -13.898922     -1.082848      1.831634
  H     -12.735223     -0.120113      0.884530
  H     -13.702844      0.687904      2.115758
  H     -11.691048      1.902998      1.642132
  H      -9.789526      3.513923      2.032288
  H      -6.523268      1.756472      7.168959
  H     -10.120635     -0.671209      4.675959
  N      -2.111638      1.814119      3.319393
  N      -1.673263      2.080754      2.171837
  H      -2.324047      2.576084      1.507847
  H      -0.927486      1.504098      1.807191
90
Coordinates from ORCA-job orca E -6724.622633713493
  N      -2.562306     -0.039527      5.531857
  Mo     -3.215482      1.741502      4.749907
  N      -4.711235      1.982022      6.178953
  C      -4.237016      2.768119      7.324269
  C      -2.807135      2.367734      7.671015
  N      -1.900305      2.245042      6.462448
  C      -0.903482      1.140893      6.686953
  C      -1.618604     -0.210221      6.607651
  C      -1.173382      3.530299      6.160477
  C      -2.162374      4.573778      5.656599
  N      -3.128544      3.835654      4.867493
  H      -0.888841     -1.007489      6.389122
  H      -2.134342     -0.474706      7.545993
  H      -0.164219      1.219124      5.879085
  H      -0.393233      1.284541      7.651490
  H      -2.664615      5.107065      6.480918
  H      -1.650852      5.336446      5.046646
  H      -0.633264      3.859545      7.062150
  H      -0.442331      3.293324      5.377266
  H      -4.865688      2.577285      8.209213
  H      -4.317584      3.844072      7.103545
  H      -2.830059      1.380338      8.148600
  H      -2.344864      3.075836      8.375472
  C      -5.303516      4.096511     -0.790595
  C      -4.710833      3.157484      0.227871
  O      -3.507046      3.328117      0.619734
  C      -5.548669      2.033160      0.738935
  C      -6.826135      1.775528      0.239348
  C      -7.560824      0.703127      0.713808
  C      -7.026498     -0.113343      1.705166
  F      -7.757100     -1.136546      2.136338
  C      -5.769529      0.132703      2.266109
  C      -5.184652     -0.724729      3.327639
  O      -5.499728     -1.874765      3.538169
  N      -4.161202     -0.114050      4.076323
  C      -3.442243     -0.826351      4.943846
  C      -5.055075      1.201058      1.744930
  C      -7.456363     10.302109     -1.064087
  C      -7.153236      8.913415     -0.553228
  O      -7.532009      7.913130     -1.165900
  C      -6.368687      8.777593      0.718643
  C      -5.853480      9.879204      1.427567
  C      -5.121489      9.684079      2.597479
  C      -4.895337      8.389760      3.059546
  F      -4.192117      8.272799      4.205495
  C      -5.390617      7.257461      2.383189
  C      -5.199139      5.821855      2.779045
  O      -5.888420      4.930088      2.211674
  N      -4.213904      5.596982      3.747237
  C      -4.008750      4.328535      4.029665
  C      -6.133473      7.496523      1.217301
  C     -13.153361     -0.351082      1.929208
  C     -12.107040     -0.597742      2.990288
  O     -12.142764     -1.609553      3.693498
  C     -11.025873      0.438581      3.164255
  C     -10.978519      1.634530      2.418563
  C      -9.953985      2.557228      2.615821
  C      -8.964578      2.271232      3.545575
  F      -7.984423      3.166961      3.725475
  C      -8.967999      1.083455      4.318028
  C      -7.946364      0.730444      5.367862
  O      -8.215037     -0.027619      6.294957
  N      -6.670955      1.245804      5.154465
  C      -6.019836      1.635065      6.204994
  C     -10.031246      0.201477      4.106662
  H      -6.214999      4.555857     -0.394990
  H      -4.575462      4.882321     -1.043641
  H      -5.581295      3.547898     -1.704119
  H      -7.260788      2.412675     -0.530741
  H      -8.559978      0.488038      0.339469
  H      -3.577971     -1.893807      5.131052
  H      -4.048050      1.375961      2.111347
  H      -8.012188     10.886370     -0.310456
  H      -6.522101     10.847679     -1.272336
  H      -8.049298     10.228315     -1.983837
  H      -6.019792     10.894323      1.073116
  H      -4.719108     10.521598      3.167660
  H      -4.629588      3.540037      3.516906
  H      -6.537617      6.640173      0.680488
  H     -13.842422     -1.214376      1.881907
  H     -12.692357     -0.194868      0.947306
  H     -13.715833      0.554687      2.167133
  H     -11.741985      1.842525      1.697106
  H      -9.900351      3.477763      2.075564
  H      -6.530629      1.742522      7.179979
  H     -10.055887     -0.745500      4.718475
  N      -2.130338      1.820031      3.311426
  N      -1.677428      2.099485      2.135073
  H      -2.313395      2.605521      1.480756
  H      -0.922330      1.512639      1.759941
90
Coordinates from ORCA-job orca E -6724.622124328619
  N      -2.564868     -0.030867      5.535432
  Mo     -3.204885      1.755036      4.757800
  N      -4.706675      1.995742      6.183047
  C      -4.238152      2.777629      7.331588
  C      -2.813723      2.370521      7.684408
  N      -1.899594      2.244478      6.476909
  C      -0.908712      1.137626      6.701787
  C      -1.628569     -0.203481      6.614614
  C      -1.165142      3.523056      6.181737
  C      -2.142037      4.569605      5.677294
  N      -3.108041      3.842638      4.881060
  H      -0.907333     -1.004493      6.401262
  H      -2.149332     -0.458299      7.551226
  H      -0.165607      1.212027      5.897388
  H      -0.407851      1.280526      7.669062
  H      -2.642824      5.102403      6.502018
  H      -1.623008      5.326472      5.072180
  H      -0.629951      3.845978      7.086054
  H      -0.432667      3.283502      5.400745
  H      -4.871877      2.588501      8.213813
  H      -4.312358      3.851643      7.111883
  H      -2.843329      1.385153      8.162350
  H      -2.352681      3.076319      8.390906
  C      -5.318605      4.079078     -0.821766
  C      -4.729364      3.139759      0.183821
  O      -3.591898      3.295059      0.557689
  C      -5.555844      2.019899      0.694233
  C      -6.853797      1.735291      0.194886
  C      -7.582936      0.645488      0.680577
  C      -7.041114     -0.156678      1.682729
  F      -7.780629     -1.189659      2.130180
  C      -5.770681      0.118814      2.246384
  C      -5.191103     -0.724215      3.321774
  O      -5.499732     -1.875008      3.528428
  N      -4.168395     -0.102033      4.072295
  C      -3.447045     -0.820998      4.943845
  C      -5.049022      1.200172      1.710458
  C      -7.507585     10.267286     -1.033112
  C      -7.161687      8.885632     -0.528292
  O      -7.534119      7.877542     -1.128902
  C      -6.361943      8.767106      0.734846
  C      -5.860249      9.880383      1.433788
  C      -5.118458      9.701519      2.595204
  C      -4.870747      8.411935      3.061538
  F      -4.163886      8.311821      4.205220
  C      -5.353408      7.268341      2.396339
  C      -5.151942      5.842096      2.806159
  O      -5.816352      4.964735      2.274755
  N      -4.177838      5.618351      3.765007
  C      -3.981248      4.345848      4.043807
  C      -6.103202      7.489913      1.236453
  C     -13.151994     -0.318581      1.945813
  C     -12.091829     -0.552581      2.974826
  O     -12.103172     -1.534997      3.663413
  C     -11.013105      0.450608      3.146516
  C     -10.965606      1.635001      2.400389
  C      -9.935065      2.532944      2.600170
  C      -8.948774      2.251933      3.530897
  F      -7.985616      3.197753      3.680388
  C      -8.960609      1.087353      4.302846
  C      -7.939850      0.741562      5.349459
  O      -8.217737      0.001240      6.279589
  N      -6.660007      1.249663      5.148581
  C      -6.015113      1.647902      6.199978
  C     -10.011643      0.188502      4.112978
  H      -6.232284      4.552159     -0.424138
  H      -4.592081      4.847631     -1.062220
  H      -5.598803      3.535207     -1.731302
  H      -7.294298      2.359600     -0.580829
  H      -8.581761      0.407485      0.304595
  H      -3.590206     -1.897052      5.128080
  H      -4.044286      1.395803      2.079662
  H      -8.060964     10.836839     -0.270257
  H      -6.592736     10.839816     -1.257991
  H      -8.116272     10.176775     -1.941202
  H      -6.047455     10.894186      1.076434
  H      -4.725859     10.549895      3.160586
  H      -4.607323      3.567478      3.524030
  H      -6.502161      6.622779      0.707113
  H     -13.821794     -1.172602      1.931636
  H     -12.698696     -0.166575      0.948494
  H     -13.744144      0.591954      2.186260
  H     -11.742223      1.875140      1.655686
  H      -9.881876      3.460452      2.044670
  H      -6.534217      1.757555      7.170437
  H     -10.058552     -0.724944      4.707124
  N      -2.112473      1.826741      3.334369
  N      -1.656896      2.110529      2.153564
  H      -2.312952      2.612280      1.485026
  H      -0.890518      1.532138      1.774023
90
Coordinates from ORCA-job orca E -6724.626705888649
  N      -2.541090     -0.035198      5.540309
  Mo     -3.200497      1.745406      4.758119
  N      -4.697243      1.981469      6.186092
  C      -4.223401      2.769794      7.330860
  C      -2.792187      2.374029      7.678713
  N      -1.884083      2.252167      6.468405
  C      -0.882510      1.150704      6.693196
  C      -1.593874     -0.200244      6.615775
  C      -1.160643      3.538584      6.164724
  C      -2.151532      4.578582      5.663464
  N      -3.117628      3.839454      4.875152
  H      -0.863801     -0.998438      6.399837
  H      -2.109199     -0.460784      7.556690
  H      -0.144136      1.227626      5.885325
  H      -0.373001      1.299607      7.657978
  H      -2.652670      5.110062      6.488745
  H      -1.642019      5.342081      5.052760
  H      -0.619754      3.869437      7.064925
  H      -0.430333      3.303500      5.380199
  H      -4.851207      2.578584      8.216575
  H      -4.306571      3.844785      7.108087
  H      -2.812747      1.387994      8.159291
  H      -2.332451      3.085564      8.381556
  C      -5.330849      4.052721     -0.835698
  C      -4.738103      3.127742      0.186864
  O      -3.569829      3.295706      0.552450
  C      -5.572531      2.009436      0.720328
  C      -6.865947      1.736394      0.233326
  C      -7.590055      0.657514      0.723581
  C      -7.036274     -0.148306      1.717478
  F      -7.759124     -1.176612      2.165714
  C      -5.768028      0.114682      2.269050
  C      -5.172842     -0.736815      3.336720
  O      -5.492581     -1.911949      3.543472
  N      -4.145045     -0.114803      4.085508
  C      -3.420708     -0.828282      4.951512
  C      -5.059865      1.188426      1.731606
  C      -7.464760     10.277846     -1.049885
  C      -7.131725      8.892399     -0.550036
  O      -7.461812      7.895389     -1.178611
  C      -6.375284      8.760157      0.733782
  C      -5.910213      9.867209      1.462989
  C      -5.201512      9.678319      2.641354
  C      -4.948761      8.384547      3.094436
  F      -4.271546      8.274392      4.251448
  C      -5.395638      7.246074      2.398842
  C      -5.175229      5.814911      2.787613
  O      -5.824959      4.925351      2.223896
  N      -4.203913      5.602112      3.758142
  C      -3.999509      4.332302      4.038897
  C      -6.115144      7.477841      1.222389
  C     -13.163788     -0.270203      1.905167
  C     -12.110931     -0.534052      2.961762
  O     -12.151221     -1.544810      3.668874
  C     -11.013907      0.475942      3.136320
  C     -10.939089      1.656383      2.395604
  C      -9.902470      2.567069      2.596899
  C      -8.920422      2.261664      3.546029
  F      -7.931146      3.158467      3.728872
  C      -8.952913      1.090715      4.311890
  C      -7.942342      0.732388      5.359989
  O      -8.233458     -0.018061      6.292429
  N      -6.658139      1.237427      5.158903
  C      -6.007616      1.630564      6.207057
  C     -10.028861      0.225106      4.091027
  H      -6.237547      4.518507     -0.436116
  H      -4.604975      4.829937     -1.102728
  H      -5.620864      3.497769     -1.740214
  H      -7.310892      2.364053     -0.539866
  H      -8.588509      0.429772      0.356672
  H      -3.553776     -1.902869      5.138359
  H      -4.052149      1.375740      2.089714
  H      -8.054475     10.832831     -0.305279
  H      -6.544694     10.853825     -1.227102
  H      -8.031382     10.201224     -1.982720
  H      -6.098196     10.883799      1.115354
  H      -4.836820     10.521196      3.228025
  H      -4.620816      3.545504      3.524528
  H      -6.481987      6.615030      0.667236
  H     -13.853170     -1.111458      1.874176
  H     -12.708045     -0.124767      0.917278
  H     -13.729304      0.646534      2.138633
  H     -11.695540      1.877590      1.662822
  H      -9.835766      3.519596      2.030808
  H      -6.522589      1.739155      7.177556
  H     -10.088886     -0.691736      4.683051
  N      -2.119122      1.827236      3.324914
  N      -1.680328      2.110651      2.157972
  H      -2.370151      2.592246      1.478144
  H      -0.922346      1.539331      1.776619
90
Coordinates from ORCA-job orca E -6724.622444154521
  N      -2.579073     -0.031520      5.538355
  Mo     -3.219601      1.744519      4.745254
  N      -4.712761      2.003805      6.171978
  C      -4.232977      2.796082      7.311680
  C      -2.807105      2.392083      7.663211
  N      -1.903921      2.253336      6.454725
  C      -0.916514      1.147217      6.687311
  C      -1.637463     -0.194979      6.615697
  C      -1.172543      3.528481      6.141125
  C      -2.153396      4.569959      5.630317
  N      -3.123384      3.833478      4.847935
  H      -0.917582     -0.994152      6.404398
  H      -2.150704     -0.444897      7.553255
  H      -0.179867      1.212612      5.879486
  H      -0.408097      1.295735      7.651716
  H      -2.648488      5.110578      6.451828
  H      -1.640503      5.323161      5.014617
  H      -0.629613      3.861623      7.039417
  H      -0.446967      3.280662      5.358393
  H      -4.859138      2.615367      8.198697
  H      -4.309453      3.868512      7.081748
  H      -2.835067      1.412131      8.150459
  H      -2.341137      3.103037      8.360610
  C      -5.309857      4.075057     -0.771856
  C      -4.717111      3.132678      0.229644
  O      -3.524040      3.303960      0.624768
  C      -5.539012      2.009949      0.726501
  C      -6.811606      1.740637      0.216367
  C      -7.550577      0.663721      0.692197
  C      -7.023375     -0.144255      1.692901
  F      -7.767989     -1.170498      2.130612
  C      -5.764751      0.113968      2.260331
  C      -5.189432     -0.736208      3.332846
  O      -5.502300     -1.890114      3.550193
  N      -4.171796     -0.116491      4.081956
  C      -3.459035     -0.823271      4.956237
  C      -5.045722      1.185399      1.737612
  C      -7.484927     10.320726     -1.034891
  C      -7.173693      8.930888     -0.532858
  O      -7.558927      7.932307     -1.142335
  C      -6.373533      8.793556      0.729727
  C      -5.853944      9.894123      1.435033
  C      -5.110631      9.697844      2.597811
  C      -4.877835      8.403084      3.057126
  F      -4.166937      8.286541      4.199304
  C      -5.377822      7.271133      2.383478
  C      -5.185447      5.836678      2.779490
  O      -5.880701      4.958346      2.239507
  N      -4.197216      5.603151      3.729905
  C      -4.002873      4.331759      4.011730
  C      -6.131012      7.511588      1.224357
  C     -13.147815     -0.322735      1.901421
  C     -12.108066     -0.592863      2.976910
  O     -12.159192     -1.610427      3.677854
  C     -11.007844      0.415792      3.176312
  C     -10.954344      1.630727      2.427587
  C      -9.916862      2.530643      2.643397
  C      -8.936357      2.240973      3.569740
  F      -7.952868      3.144725      3.744843
  C      -8.953377      1.048939      4.338021
  C      -7.952701      0.718304      5.367464
  O      -8.252840     -0.044259      6.296633
  N      -6.669279      1.252778      5.149875
  C      -6.020939      1.659277      6.195448
  C     -10.014074      0.158756      4.130412
  H      -6.228103      4.542636     -0.366554
  H      -4.575132      4.850741     -1.006753
  H      -5.591165      3.532873     -1.693948
  H      -7.245146      2.371247     -0.557882
  H      -8.551964      0.439672      0.313363
  H      -3.600557     -1.892548      5.151372
  H      -4.047350      1.368198      2.112189
  H      -8.032630     10.899902     -0.273845
  H      -6.554931     10.870050     -1.252130
  H      -8.087930     10.248845     -1.946606
  H      -6.026823     10.910355      1.083303
  H      -4.705491     10.535323      3.166014
  H      -4.630955      3.549536      3.504548
  H      -6.540161      6.655633      0.689746
  H     -13.849121     -1.184510      1.839234
  H     -12.683254     -0.163544      0.914168
  H     -13.694272      0.589411      2.144016
  H     -11.737317      1.891448      1.669484
  H      -9.853690      3.452018      2.108815
  H      -6.535184      1.771556      7.166147
  H     -10.060575     -0.757527      4.714561
  N      -2.131080      1.799902      3.307063
  N      -1.688419      2.063979      2.145450
  H      -2.284550      2.586659      1.515027
  H      -0.943185      1.473186      1.779998
90
Coordinates from ORCA-job orca E -6724.627455093454
  N      -2.552980     -0.036515      5.543546
  Mo     -3.208816      1.742095      4.755510
  N      -4.701315      1.986676      6.188034
  C      -4.224621      2.777492      7.329701
  C      -2.792736      2.380975      7.674308
  N      -1.888743      2.253381      6.461737
  C      -0.888451      1.151099      6.687910
  C      -1.603314     -0.200220      6.616231
  C      -1.162968      3.537256      6.150952
  C      -2.152340      4.577285      5.646046
  N      -3.121188      3.837395      4.861415
  H      -0.874897     -0.999159      6.400117
  H      -2.115739     -0.458448      7.558789
  H      -0.151370      1.225983      5.877710
  H      -0.376429      1.301996      7.651147
  H      -2.651475      5.113358      6.470074
  H      -1.642011      5.336642      5.032006
  H      -0.619931      3.870595      7.049134
  H      -0.434951      3.296671      5.365896
  H      -4.849948      2.588591      8.217757
  H      -4.307524      3.852308      7.105274
  H      -2.812501      1.396482      8.158297
  H      -2.329230      3.094082      8.373113
  C      -5.324653      4.049964     -0.805788
  C      -4.738591      3.114350      0.203636
  O      -3.560449      3.275915      0.577268
  C      -5.576468      1.996457      0.723547
  C      -6.866447      1.722627      0.228950
  C      -7.595218      0.643007      0.715047
  C      -7.053261     -0.162318      1.713379
  F      -7.780584     -1.190923      2.155694
  C      -5.786310      0.102465      2.271192
  C      -5.193795     -0.743591      3.340964
  O      -5.503712     -1.897418      3.556248
  N      -4.164567     -0.118585      4.087530
  C      -3.437970     -0.829296      4.958349
  C      -5.072531      1.175510      1.736175
  C      -7.467538     10.310257     -1.036880
  C      -7.142042      8.922447     -0.538330
  O      -7.507148      7.922531     -1.155100
  C      -6.364183      8.787405      0.734610
  C      -5.871790      9.891467      1.453990
  C      -5.149921      9.697629      2.626605
  C      -4.912017      8.402039      3.082476
  F      -4.224651      8.286560      4.235874
  C      -5.384887      7.267100      2.395391
  C      -5.187592      5.833119      2.790087
  O      -5.857439      4.948458      2.223562
  N      -4.204873      5.604530      3.748167
  C      -4.004253      4.333118      4.028200
  C      -6.116137      7.504177      1.225631
  C     -13.135674     -0.323918      1.897410
  C     -12.089634     -0.568146      2.957376
  O     -12.120350     -1.567985      3.654917
  C     -11.007992      0.452548      3.142462
  C     -10.954671      1.646045      2.393604
  C      -9.930948      2.565088      2.596143
  C      -8.949971      2.280683      3.537354
  F      -7.979839      3.204207      3.710884
  C      -8.962612      1.101973      4.309783
  C      -7.940861      0.743103      5.372788
  O      -8.210569     -0.009277      6.307275
  N      -6.664246      1.244466      5.166620
  C      -6.010927      1.638420      6.214650
  C     -10.020285      0.213590      4.098568
  H      -6.233595      4.524664     -0.407195
  H      -4.592536      4.823181     -1.056461
  H      -5.609194      3.497503     -1.713374
  H      -7.303938      2.349892     -0.546262
  H      -8.591559      0.414242      0.342329
  H      -3.574011     -1.902005      5.147127
  H      -4.059844      1.362828      2.097045
  H      -8.031744     10.875993     -0.281130
  H      -6.544999     10.876695     -1.238743
  H      -8.057456     10.233705     -1.955649
  H      -6.050325     10.908909      1.105348
  H      -4.766243     10.537808      3.206807
  H      -4.632315      3.549105      3.519300
  H      -6.506487      6.645065      0.680352
  H     -13.817650     -1.186057      1.856679
  H     -12.674140     -0.168494      0.906685
  H     -13.709369      0.587509      2.135022
  H     -11.720792      1.870539      1.650994
  H      -9.875717      3.499764      2.041507
  H      -6.522418      1.751063      7.187619
  H     -10.066671     -0.693254      4.684758
  N      -2.126642      1.811672      3.321171
  N      -1.681683      2.085461      2.151023
  H      -2.335150      2.582064      1.487106
  H      -0.927434      1.505090      1.779528
90
Coordinates from ORCA-job orca E -6724.628408959597
  N      -2.548909     -0.031626      5.550142
  Mo     -3.206942      1.739405      4.749977
  N      -4.702886      1.989947      6.176817
  C      -4.230127      2.788664      7.314219
  C      -2.798478      2.398351      7.663802
  N      -1.892134      2.264034      6.454084
  C      -0.891286      1.166364      6.688704
  C      -1.601863     -0.184944      6.625307
  C      -1.169466      3.545508      6.135640
  C      -2.159693      4.579624      5.624233
  N      -3.126199      3.834856      4.842594
  H      -0.872745     -0.982739      6.415948
  H      -2.114265     -0.436152      7.568048
  H      -0.153748      1.235800      5.879483
  H      -0.382003      1.325131      7.650959
  H      -2.660397      5.119005      6.444681
  H      -1.650503      5.336014      5.006870
  H      -0.628077      3.885667      7.031631
  H      -0.440805      3.300843      5.352763
  H      -4.856219      2.604092      8.202247
  H      -4.315224      3.860963      7.082719
  H      -2.816895      1.418289      8.154721
  H      -2.338572      3.117484      8.358100
  C      -5.354788      4.028441     -0.798777
  C      -4.758353      3.103440      0.217890
  O      -3.586550      3.276417      0.591812
  C      -5.581510      1.976816      0.736089
  C      -6.868491      1.693862      0.242996
  C      -7.588580      0.608957      0.729577
  C      -7.038050     -0.193424      1.725655
  F      -7.759588     -1.226159      2.172247
  C      -5.773138      0.079221      2.280284
  C      -5.176968     -0.762506      3.350779
  O      -5.485943     -1.921684      3.571842
  N      -4.153611     -0.128718      4.094605
  C      -3.428103     -0.831224      4.968791
  C      -5.068959      1.158476      1.746588
  C      -7.436738     10.347107     -1.033565
  C      -7.119563      8.954126     -0.544507
  O      -7.464697      7.962773     -1.182819
  C      -6.360307      8.804814      0.737925
  C      -5.884160      9.900944      1.478417
  C      -5.176135      9.694913      2.657091
  C      -4.935252      8.394845      3.097760
  F      -4.260170      8.266754      4.257036
  C      -5.392340      7.267254      2.389735
  C      -5.182277      5.830785      2.764982
  O      -5.861971      4.952450      2.213049
  N      -4.204968      5.600658      3.726059
  C      -4.009398      4.329112      4.007410
  C      -6.111484      7.516301      1.214904
  C     -13.146439     -0.290515      1.895309
  C     -12.096077     -0.557189      2.949379
  O     -12.125544     -1.574611      3.632214
  C     -11.004907      0.454609      3.140483
  C     -10.942367      1.650716      2.401973
  C      -9.909514      2.559290      2.611780
  C      -8.928773      2.260087      3.551842
  F      -7.945686      3.167696      3.731956
  C      -8.951048      1.079108      4.311105
  C      -7.934952      0.716093      5.355418
  O      -8.217346     -0.040003      6.283951
  N      -6.658345      1.235750      5.152140
  C      -6.012043      1.640738      6.199739
  C     -10.015339      0.199102      4.094148
  H      -6.274027      4.485811     -0.405604
  H      -4.634104      4.813610     -1.047083
  H      -5.625626      3.472253     -1.709764
  H      -7.314049      2.320315     -0.529178
  H      -8.586601      0.374455      0.359977
  H      -3.560977     -1.903648      5.164530
  H      -4.063669      1.354057      2.108363
  H      -8.018882     10.902945     -0.282968
  H      -6.511050     10.916832     -1.208556
  H      -8.006350     10.281346     -1.966231
  H      -6.063329     10.921902      1.140660
  H      -4.804350     10.528782      3.252954
  H      -4.643013      3.547995      3.501414
  H      -6.487035      6.662970      0.651463
  H     -13.831763     -1.143595      1.846977
  H     -12.689032     -0.126951      0.907770
  H     -13.713999      0.619924      2.143395
  H     -11.707297      1.885826      1.660356
  H      -9.846512      3.498509      2.062154
  H      -6.528026      1.754343      7.169932
  H     -10.066990     -0.721461      4.679237
  N      -2.124078      1.802788      3.315582
  N      -1.678627      2.071678      2.145338
  H      -2.332010      2.569475      1.479309
  H      -0.923692      1.488396      1.773595
90
Coordinates from ORCA-job orca E -6724.627245818712
  N      -2.542881     -0.017000      5.516441
  Mo     -3.234100      1.754769      4.748099
  N      -4.709818      1.970948      6.200401
  C      -4.227498      2.760885      7.339771
  C      -2.786097      2.384105      7.661136
  N      -1.898225      2.274005      6.435483
  C      -0.881874      1.186236      6.640665
  C      -1.577433     -0.170907      6.574357
  C      -1.196454      3.566216      6.119004
  C      -2.206808      4.594304      5.638499
  N      -3.179267      3.849477      4.864737
  H      -0.843712     -0.957938      6.344161
  H      -2.071014     -0.436966      7.522505
  H      -0.159250      1.271779      5.820058
  H      -0.358602      1.340630      7.595661
  H      -2.698475      5.117521      6.474581
  H      -1.717511      5.364176      5.022026
  H      -0.642716      3.902537      7.008652
  H      -0.479617      3.338605      5.320289
  H      -4.836681      2.558271      8.235495
  H      -4.328883      3.834495      7.122902
  H      -2.784836      1.399001      8.141386
  H      -2.323901      3.101207      8.355744
  C      -5.333657      3.989271     -0.865256
  C      -4.734469      3.060740      0.150424
  O      -3.555722      3.210197      0.500005
  C      -5.570718      1.957131      0.696027
  C      -6.865591      1.687072      0.218681
  C      -7.594880      0.616474      0.722415
  C      -7.044411     -0.183176      1.720944
  F      -7.774381     -1.203896      2.183537
  C      -5.774154      0.081118      2.264327
  C      -5.181286     -0.756562      3.339772
  O      -5.484660     -1.923036      3.557926
  N      -4.162672     -0.118042      4.083582
  C      -3.419368     -0.821120      4.939270
  C      -5.061093      1.145289      1.713490
  C      -7.264070     10.361351     -1.111123
  C      -7.000179      8.970963     -0.584472
  O      -7.349143      7.977382     -1.214180
  C      -6.304928      8.827949      0.734223
  C      -5.836026      9.926245      1.474802
  C      -5.186470      9.726501      2.687351
  C      -4.995851      8.430126      3.161752
  F      -4.377670      8.308620      4.352891
  C      -5.449254      7.300414      2.455716
  C      -5.288192      5.867619      2.865947
  O      -5.947178      4.995109      2.288782
  N      -4.289887      5.626116      3.801637
  C      -4.083921      4.350755      4.055714
  C      -6.109387      7.543300      1.245715
  C     -13.140995     -0.338256      1.916851
  C     -12.077131     -0.614198      2.957173
  O     -12.087354     -1.649613      3.620916
  C     -11.006002      0.415596      3.170307
  C     -10.961822      1.622486      2.454509
  C      -9.945934      2.546218      2.684981
  C      -8.961775      2.248045      3.625255
  F      -7.996873      3.168998      3.829160
  C      -8.966561      1.056218      4.362229
  C      -7.952682      0.701426      5.397111
  O      -8.226490     -0.091713      6.297344
  N      -6.675350      1.227637      5.188611
  C      -6.017117      1.615148      6.234579
  C     -10.014855      0.161364      4.124231
  H      -6.238562      4.462003     -0.459870
  H      -4.605210      4.761495     -1.132993
  H      -5.628971      3.433120     -1.769239
  H      -7.310079      2.309942     -0.557547
  H      -8.599349      0.390506      0.363490
  H      -3.535275     -1.897929      5.123774
  H      -4.053164      1.331521      2.065504
  H      -7.863875     10.944440     -0.395423
  H      -6.318816     10.905886     -1.257528
  H      -7.795816     10.291780     -2.065631
  H      -5.974846     10.944305      1.110229
  H      -4.821845     10.562690      3.283827
  H      -4.727958      3.578230      3.551728
  H      -6.478066      6.688187      0.680386
  H     -13.813436     -1.196706      1.857123
  H     -12.693940     -0.149878      0.931407
  H     -13.720148      0.558335      2.184772
  H     -11.726822      1.853931      1.714246
  H      -9.898565      3.498407      2.150201
  H      -6.522246      1.713200      7.212018
  H     -10.051055     -0.773360      4.694369
  N      -2.177719      1.850341      3.295743
  N      -1.756616      2.143612      2.123210
  H      -2.427137      2.654228      1.481534
  H      -1.007673      1.570851      1.722060
90
Coordinates from ORCA-job orca E -6724.628048983664
  N      -2.532631     -0.018750      5.533244
  Mo     -3.218728      1.744889      4.743132
  N      -4.698396      1.981490      6.187796
  C      -4.218054      2.782513      7.320163
  C      -2.778428      2.406375      7.649804
  N      -1.887087      2.280287      6.428124
  C      -0.873325      1.193764      6.648629
  C      -1.570572     -0.162532      6.595312
  C      -1.182001      3.566845      6.098659
  C      -2.188792      4.591105      5.604433
  N      -3.160805      3.840663      4.835556
  H      -0.837794     -0.953155      6.375551
  H      -2.066923     -0.417054      7.545022
  H      -0.148157      1.268758      5.829079
  H      -0.352711      1.358157      7.603446
  H      -2.681644      5.124188      6.433653
  H      -1.696350      5.353505      4.981408
  H      -0.629650      3.912253      6.985770
  H      -0.463921      3.328570      5.304194
  H      -4.830271      2.590784      8.216251
  H      -4.316595      3.853949      7.091554
  H      -2.780489      1.426962      8.141490
  H      -2.316830      3.130528      8.337436
  C      -5.548266      4.024984     -0.753992
  C      -4.905748      3.109739      0.245977
  O      -3.738110      3.317823      0.606277
  C      -5.688483      1.961656      0.776527
  C      -6.976515      1.649816      0.307253
  C      -7.660159      0.544723      0.800717
  C      -7.069940     -0.248902      1.780481
  F      -7.756964     -1.304241      2.233082
  C      -5.803140      0.051896      2.312925
  C      -5.172854     -0.781827      3.369660
  O      -5.455098     -1.950485      3.589226
  N      -4.151606     -0.134282      4.100219
  C      -3.407353     -0.828790      4.962372
  C      -5.135890      1.151289      1.772906
  C      -7.210848     10.414850     -1.101550
  C      -6.943643      9.017297     -0.595445
  O      -7.291288      8.031761     -1.240056
  C      -6.258199      8.856809      0.727009
  C      -5.797781      9.945166      1.487751
  C      -5.159660      9.729224      2.704186
  C      -4.971142      8.426530      3.161453
  F      -4.367382      8.288584      4.358852
  C      -5.414742      7.306313      2.434087
  C      -5.255690      5.867999      2.827367
  O      -5.912128      5.001948      2.236811
  N      -4.259770      5.617530      3.764581
  C      -4.062269      4.341365      4.021886
  C      -6.064793      7.565334      1.221704
  C     -13.087637     -0.376745      1.850893
  C     -12.034068     -0.635064      2.904552
  O     -12.053145     -1.656574      3.586032
  C     -10.966719      0.398232      3.113814
  C     -10.913230      1.592150      2.373792
  C      -9.900119      2.518397      2.600638
  C      -8.929571      2.240379      3.558536
  F      -7.971350      3.169125      3.758020
  C      -8.944331      1.062277      4.320783
  C      -7.945630      0.728329      5.376517
  O      -8.232787     -0.047987      6.286706
  N      -6.661191      1.239505      5.171545
  C      -6.007678      1.633291      6.218194
  C      -9.989075      0.161733      4.087412
  H      -6.481318      4.439766     -0.347005
  H      -4.858581      4.839050     -0.996377
  H      -5.804675      3.473548     -1.672472
  H      -7.453392      2.268578     -0.452422
  H      -8.659891      0.287061      0.449371
  H      -3.524779     -1.903091      5.158822
  H      -4.131575      1.369872      2.118378
  H      -7.815991     10.984414     -0.379307
  H      -6.267185     10.965751     -1.235840
  H      -7.738567     10.357699     -2.059306
  H      -5.935894     10.968025      1.136912
  H      -4.803586     10.557441      3.317139
  H      -4.711850      3.572059      3.522102
  H      -6.429420      6.718371      0.641749
  H     -13.762820     -1.236294      1.801226
  H     -12.630363     -0.208680      0.865440
  H     -13.666119      0.526587      2.096292
  H     -11.669063      1.811080      1.616955
  H      -9.845379      3.456448      2.050310
  H      -6.518771      1.746683      7.191113
  H     -10.032450     -0.759392      4.673724
  N      -2.157021      1.820104      3.292757
  N      -1.729199      2.093969      2.117294
  H      -2.394114      2.587399      1.463364
  H      -0.974848      1.517058      1.732978
90
Coordinates from ORCA-job orca E -6724.627453658108
  N      -2.535483     -0.031302      5.589675
  Mo     -3.191332      1.721211      4.747091
  N      -4.696498      2.000400      6.157281
  C      -4.232523      2.820912      7.282810
  C      -2.801164      2.441978      7.647711
  N      -1.886865      2.283109      6.446207
  C      -0.885386      1.192543      6.711248
  C      -1.594438     -0.161021      6.673636
  C      -1.163503      3.558093      6.102431
  C      -2.152049      4.580005      5.564480
  N      -3.115934      3.818896      4.794082
  H      -0.863214     -0.963717      6.485751
  H      -2.112951     -0.391908      7.619363
  H      -0.142554      1.244667      5.904739
  H      -0.381644      1.373751      7.673059
  H      -2.656912      5.136690      6.371195
  H      -1.640445      5.324325      4.933844
  H      -0.625489      3.918837      6.992780
  H      -0.431362      3.296462      5.328004
  H      -4.863510      2.650910      8.170664
  H      -4.319495      3.888983      7.031036
  H      -2.819580      1.472376      8.160074
  H      -2.346947      3.177534      8.328833
  C      -5.361611      3.947393     -0.796487
  C      -4.754560      3.020845      0.212596
  O      -3.577781      3.191378      0.571045
  C      -5.575621      1.897481      0.746689
  C      -6.866458      1.607267      0.265450
  C      -7.581043      0.524787      0.766290
  C      -7.022370     -0.266679      1.766475
  F      -7.741339     -1.293019      2.230910
  C      -5.753003      0.012957      2.308947
  C      -5.149418     -0.812064      3.388106
  O      -5.452340     -1.967415      3.625487
  N      -4.132162     -0.162279      4.126060
  C      -3.408302     -0.845765      5.018420
  C      -5.054046      1.088267      1.760006
  C      -7.481293     10.411917     -0.961476
  C      -7.139505      9.008598     -0.519967
  O      -7.465884      8.033286     -1.193029
  C      -6.381271      8.829139      0.759286
  C      -5.929167      9.907831      1.540009
  C      -5.224832      9.674340      2.715949
  C      -4.962693      8.364204      3.111905
  F      -4.298473      8.205201      4.274038
  C      -5.392152      7.254040      2.360935
  C      -5.152729      5.809827      2.689763
  O      -5.872058      4.939335      2.172912
  N      -4.178125      5.577497      3.656060
  C      -3.997443      4.306925      3.951964
  C      -6.110653      7.529228      1.192115
  C     -13.146977     -0.219907      1.857530
  C     -12.077315     -0.514290      2.881262
  O     -12.080915     -1.558634      3.516238
  C     -10.999240      0.503316      3.100463
  C     -10.955699      1.724496      2.403143
  C      -9.932583      2.637207      2.636474
  C      -8.942309      2.317150      3.558824
  F      -7.974832      3.234937      3.767518
  C      -8.945542      1.109618      4.280188
  C      -7.916873      0.720763      5.311458
  O      -8.195070     -0.025372      6.248264
  N      -6.642962      1.246380      5.118858
  C      -6.007822      1.657660      6.170941
  C     -10.002004      0.226388      4.038801
  H      -6.279367      4.401426     -0.396442
  H      -4.644129      4.734605     -1.046110
  H      -5.635172      3.394315     -1.707516
  H      -7.318780      2.225484     -0.509014
  H      -8.580565      0.285928      0.407087
  H      -3.539334     -1.914202      5.235095
  H      -4.044385      1.290129      2.115016
  H      -8.076587     10.929167     -0.194481
  H      -6.566757     11.006236     -1.113176
  H      -8.046486     10.367780     -1.897942
  H      -6.126901     10.936414      1.237353
  H      -4.874585     10.493779      3.344601
  H      -4.640800      3.529339      3.457123
  H      -6.468575      6.689186      0.597410
  H     -13.825624     -1.079004      1.789466
  H     -12.705785     -0.016635      0.868095
  H     -13.719745      0.676249      2.147474
  H     -11.727287      1.974180      1.676439
  H      -9.885088      3.595296      2.119530
  H      -6.533135      1.782293      7.134987
  H     -10.038729     -0.708737      4.588388
  N      -2.100643      1.755251      3.317389
  N      -1.645717      1.998366      2.143651
  H      -2.294814      2.475772      1.460561
  H      -0.888254      1.408174      1.791211
90
Coordinates from ORCA-job orca E -6724.628760052866
  N      -2.514950     -0.023810      5.554897
  Mo     -3.205336      1.730569      4.746204
  N      -4.691837      1.974209      6.181759
  C      -4.219584      2.783937      7.311510
  C      -2.778855      2.417500      7.648962
  N      -1.882028      2.285615      6.431506
  C      -0.863769      1.205151      6.665908
  C      -1.555779     -0.155330      6.621830
  C      -1.180887      3.572990      6.092905
  C      -2.190282      4.588941      5.585817
  N      -3.157296      3.827770      4.820002
  H      -0.818746     -0.945671      6.411641
  H      -2.055444     -0.404094      7.572108
  H      -0.135274      1.276278      5.848564
  H      -0.347310      1.380314      7.621472
  H      -2.688510      5.127614      6.408421
  H      -1.698621      5.348347      4.957984
  H      -0.632654      3.928710      6.978713
  H      -0.458929      3.330523      5.303078
  H      -4.834530      2.594167      8.206348
  H      -4.322846      3.853898      7.076370
  H      -2.777702      1.441728      8.148591
  H      -2.323160      3.149568      8.332407
  C      -5.475562      3.962170     -0.780786
  C      -4.838282      3.042058      0.218804
  O      -3.658462      3.221075      0.555707
  C      -5.635858      1.907458      0.761482
  C      -6.927409      1.602432      0.294776
  C      -7.620206      0.506650      0.796769
  C      -7.037163     -0.283260      1.784044
  F      -7.733872     -1.326513      2.247601
  C      -5.767715      0.012288      2.314774
  C      -5.143310     -0.813314      3.381488
  O      -5.425709     -1.979731      3.607969
  N      -4.128097     -0.157633      4.114581
  C      -3.383962     -0.842549      4.986295
  C      -5.090891      1.101064      1.765043
  C      -7.301606     10.400220     -1.068643
  C      -7.014951      9.000912     -0.578021
  O      -7.333193      8.017865     -1.241738
  C      -6.319997      8.835686      0.738574
  C      -5.880324      9.922610      1.513871
  C      -5.235407      9.702790      2.725942
  C      -5.019061      8.397677      3.163527
  F      -4.412563      8.253622      4.358791
  C      -5.438969      7.279163      2.419879
  C      -5.247471      5.838893      2.792446
  O      -5.927825      4.969282      2.231416
  N      -4.253464      5.597301      3.735116
  C      -4.058870      4.322575      4.002338
  C      -6.097647      7.541168      1.213263
  C     -13.104948     -0.247040      1.824967
  C     -12.042405     -0.545876      2.857422
  O     -12.041726     -1.602486      3.479737
  C     -10.975639      0.479701      3.100640
  C     -10.932099      1.705693      2.414426
  C      -9.918680      2.623996      2.670402
  C      -8.938127      2.304735      3.604939
  F      -7.978632      3.225080      3.835021
  C      -8.942108      1.092947      4.314308
  C      -7.926996      0.712166      5.346992
  O      -8.209337     -0.064659      6.258027
  N      -6.647627      1.234097      5.153025
  C      -6.001370      1.625575      6.205159
  C      -9.987851      0.202356      4.051076
  H      -6.394512      4.399048     -0.365514
  H      -4.775475      4.761988     -1.041173
  H      -5.754539      3.407674     -1.690328
  H      -7.398148      2.218103     -0.471176
  H      -8.621038      0.254573      0.447083
  H      -3.497191     -1.915778      5.190494
  H      -4.083100      1.314817      2.109692
  H      -7.919674     10.950334     -0.342927
  H      -6.366780     10.968754     -1.191270
  H      -7.823361     10.346219     -2.029660
  H      -6.041287     10.947383      1.178426
  H      -4.896602     10.529497      3.350809
  H      -4.707520      3.551741      3.505753
  H      -6.445969      6.694973      0.621640
  H     -13.775585     -1.108193      1.741455
  H     -12.655529     -0.032000      0.843856
  H     -13.687153      0.641410      2.115368
  H     -11.695884      1.955005      1.677810
  H      -9.871379      3.586955      2.160992
  H      -6.517170      1.735252      7.175971
  H     -10.023300     -0.742614      4.594713
  N      -2.138538      1.798154      3.299400
  N      -1.705466      2.065529      2.123680
  H      -2.366399      2.557132      1.464640
  H      -0.951677      1.485633      1.744427
90
Coordinates from ORCA-job orca E -6724.628105870333
  N      -2.541419     -0.033616      5.566390
  Mo     -3.227731      1.714944      4.740935
  N      -4.686903      1.998554      6.195395
  C      -4.187655      2.819473      7.305246
  C      -2.744875      2.443339      7.623776
  N      -1.869907      2.282569      6.393526
  C      -0.858585      1.195690      6.628094
  C      -1.564584     -0.158096      6.617997
  C      -1.162134      3.556865      6.022152
  C      -2.169926      4.574818      5.516840
  N      -3.158047      3.812649      4.779064
  H      -0.839605     -0.959299      6.407518
  H      -2.049725     -0.386423      7.580777
  H      -0.143643      1.245998      5.797454
  H      -0.323981      1.381024      7.571608
  H      -2.648484      5.131263      6.339242
  H      -1.681566      5.319549      4.869216
  H      -0.594840      3.920920      6.892371
  H      -0.456648      3.294331      5.223909
  H      -4.789513      2.649023      8.212800
  H      -4.284010      3.886899      7.056148
  H      -2.744948      1.475836      8.139056
  H      -2.270259      3.181572      8.287352
  C      -5.484808      3.980521     -0.676810
  C      -4.869985      3.054295      0.330729
  O      -3.708388      3.245455      0.715125
  C      -5.676361      1.912276      0.844545
  C      -6.959941      1.608432      0.354600
  C      -7.658272      0.506452      0.836511
  C      -7.087755     -0.292094      1.824826
  F      -7.787456     -1.342385      2.267918
  C      -5.825708      0.000361      2.374182
  C      -5.210200     -0.826220      3.444120
  O      -5.497432     -1.992088      3.675166
  N      -4.179640     -0.173402      4.157002
  C      -3.427840     -0.852777      5.025910
  C      -5.144713      1.096531      1.846418
  C      -7.308122     10.450071     -1.031812
  C      -7.010703      9.044413     -0.566410
  O      -7.340219      8.070770     -1.237545
  C      -6.317730      8.860477      0.748534
  C      -5.880306      9.936337      1.539988
  C      -5.237800      9.699662      2.749979
  C      -5.021909      8.388555      3.169262
  F      -4.418997      8.226765      4.363977
  C      -5.439207      7.280725      2.408898
  C      -5.247200      5.836454      2.763948
  O      -5.936351      4.974678      2.204222
  N      -4.246316      5.586108      3.696406
  C      -4.068076      4.310486      3.972030
  C      -6.096081      7.559204      1.205238
  C     -13.015028     -0.316122      1.747350
  C     -11.981112     -0.575292      2.819440
  O     -12.007477     -1.601046      3.492364
  C     -10.923304      0.461180      3.055836
  C     -10.850965      1.653319      2.316321
  C      -9.845336      2.582056      2.566943
  C      -8.901106      2.305475      3.552108
  F      -7.947848      3.233826      3.775776
  C      -8.934670      1.128527      4.315169
  C      -7.954169      0.794600      5.393732
  O      -8.259315      0.037607      6.314039
  N      -6.660403      1.277750      5.192980
  C      -6.002173      1.673622      6.235709
  C      -9.972193      0.227599      4.054567
  H      -6.422854      4.399360     -0.287347
  H      -4.786433      4.792264     -0.902637
  H      -5.725098      3.435745     -1.603133
  H      -7.421113      2.231214     -0.411574
  H      -8.653513      0.255941      0.469718
  H      -3.547596     -1.921861      5.248446
  H      -4.143712      1.309808      2.209273
  H      -7.922630     10.985717     -0.292278
  H      -6.377067     11.024698     -1.153233
  H      -7.837703     10.409230     -1.989153
  H      -6.041201     10.965712      1.218759
  H      -4.901111     10.517550      3.387332
  H      -4.737591      3.545993      3.495217
  H      -6.443765      6.721844      0.601228
  H     -13.689886     -1.174522      1.686653
  H     -12.538558     -0.150991      0.769819
  H     -13.597609      0.589144      1.979653
  H     -11.585954      1.867912      1.541077
  H      -9.776679      3.521429      2.014454
  H      -6.509198      1.807961      7.207953
  H     -10.029129     -0.692387      4.638625
  N      -2.190319      1.748348      3.271809
  N      -1.782671      1.992614      2.082078
  H      -2.459128      2.473006      1.428138
  H      -1.040876      1.401979      1.695566
90
Coordinates from ORCA-job orca E -6724.628919325476
  N      -2.504425     -0.028164      5.569189
  Mo     -3.205671      1.717346      4.750046
  N      -4.676356      1.977168      6.197096
  C      -4.192296      2.794068      7.316631
  C      -2.747179      2.432102      7.640295
  N      -1.863939      2.289823      6.413850
  C      -0.841445      1.213359      6.647436
  C      -1.531904     -0.148280      6.625245
  C      -1.168636      3.574335      6.053767
  C      -2.184703      4.584031      5.548323
  N      -3.160624      3.815418      4.800832
  H      -0.796871     -0.939892      6.413663
  H      -2.019527     -0.388099      7.583890
  H      -0.122636      1.276972      5.821019
  H      -0.314139      1.399004      7.595000
  H      -2.673920      5.130512      6.371156
  H      -1.701089      5.337872      4.907764
  H      -0.610172      3.939687      6.929182
  H      -0.455897      3.324097      5.258045
  H      -4.797262      2.609399      8.219326
  H      -4.299389      3.862417      7.075850
  H      -2.738911      1.461018      8.148697
  H      -2.284535      3.170975      8.311552
  C      -5.538241      3.907992     -0.754636
  C      -4.894087      2.996749      0.247986
  O      -3.715386      3.184749      0.582972
  C      -5.686341      1.865754      0.806699
  C      -6.980600      1.552591      0.353491
  C      -7.663521      0.455706      0.866916
  C      -7.066763     -0.327742      1.851340
  F      -7.751651     -1.375174      2.323272
  C      -5.794081     -0.023621      2.368666
  C      -5.153503     -0.842184      3.431221
  O      -5.431478     -2.007685      3.669542
  N      -4.133314     -0.178609      4.149481
  C      -3.377876     -0.854149      5.018557
  C      -5.128941      1.067018      1.809190
  C      -7.315266     10.409485     -1.046703
  C      -7.013290      9.007855     -0.572042
  O      -7.328769      8.028867     -1.242848
  C      -6.334093      8.834401      0.751687
  C      -5.914181      9.916643      1.544213
  C      -5.284200      9.689736      2.762980
  C      -5.063421      8.381979      3.189889
  F      -4.474216      8.228620      4.392782
  C      -5.463333      7.268378      2.428746
  C      -5.264734      5.827118      2.791226
  O      -5.949062      4.959406      2.233131
  N      -4.262332      5.585171      3.724571
  C      -4.073021      4.309782      3.994008
  C      -6.108048      7.536641      1.216144
  C     -13.027027     -0.189965      1.718121
  C     -11.978307     -0.499485      2.761876
  O     -11.993246     -1.557790      3.382060
  C     -10.920444      0.527441      3.036899
  C     -10.859611      1.755108      2.354915
  C      -9.853399      2.673248      2.639175
  C      -8.897703      2.352229      3.598448
  F      -7.945501      3.272042      3.857975
  C      -8.919551      1.138863      4.304260
  C      -7.927622      0.758268      5.356986
  O      -8.228796     -0.020003      6.260649
  N      -6.638593      1.259731      5.171264
  C      -5.989601      1.643321      6.224396
  C      -9.957814      0.248444      4.012711
  H      -6.457210      4.344895     -0.339494
  H      -4.840916      4.707684     -1.022631
  H      -5.816965      3.346582     -1.660167
  H      -7.461181      2.162026     -0.411384
  H      -8.666095      0.196698      0.527002
  H      -3.486464     -1.925654      5.234121
  H      -4.119162      1.286412      2.143020
  H      -7.942035     10.943726     -0.316396
  H      -6.387035     10.990474     -1.160106
  H      -7.833695     10.360781     -2.009848
  H      -6.079102     10.943404      1.216994
  H      -4.961558     10.512658      3.401195
  H      -4.734195      3.543032      3.510617
  H      -6.441592      6.693945      0.610961
  H     -13.702466     -1.046185      1.624367
  H     -12.563954      0.023230      0.743173
  H     -13.606384      0.702096      2.002230
  H     -11.604343      2.005429      1.599051
  H      -9.793355      3.637251      2.133400
  H      -6.503521      1.760122      7.195329
  H     -10.005979     -0.698625      4.552796
  N      -2.157448      1.771560      3.288943
  N      -1.740543      2.031424      2.105949
  H      -2.407579      2.529234      1.457585
  H      -0.997734      1.444464      1.715820
90
Coordinates from ORCA-job orca E -6724.628745879708
  N      -2.450287     -0.031427      5.578578
  Mo     -3.186840      1.698944      4.757107
  N      -4.653340      1.941613      6.209735
  C      -4.176187      2.762481      7.329329
  C      -2.722694      2.425987      7.643081
  N      -1.845045      2.299363      6.410594
  C      -0.801307      1.242459      6.640178
  C      -1.467817     -0.131380      6.627611
  C      -1.175693      3.595745      6.043130
  C      -2.212681      4.585476      5.540421
  N      -3.179132      3.797977      4.799551
  H      -0.720572     -0.910892      6.412889
  H      -1.944151     -0.376697      7.590730
  H      -0.089576      1.316245      5.808373
  H      -0.270657      1.440745      7.583416
  H      -2.707558      5.125283      6.364334
  H      -1.746012      5.346530      4.895698
  H      -0.618831      3.973723      6.914257
  H      -0.463023      3.356061      5.244068
  H      -4.772855      2.565052      8.234944
  H      -4.302904      3.829734      7.092452
  H      -2.693545      1.455074      8.151186
  H      -2.268775      3.173041      8.311281
  C      -5.598751      3.849556     -0.721342
  C      -4.934124      2.962029      0.288660
  O      -3.764403      3.188099      0.631425
  C      -5.690481      1.799120      0.833149
  C      -6.968473      1.442796      0.365112
  C      -7.618883      0.321582      0.867843
  C      -7.006613     -0.443726      1.856817
  F      -7.662884     -1.511874      2.322525
  C      -5.749024     -0.099757      2.386627
  C      -5.092843     -0.900479      3.453526
  O      -5.338053     -2.073856      3.687197
  N      -4.084206     -0.215555      4.168249
  C      -3.311894     -0.874773      5.035575
  C      -5.115046      1.014488      1.836862
  C      -7.343632     10.334848     -1.083001
  C      -7.050663      8.936122     -0.594242
  O      -7.314159      7.954669     -1.283816
  C      -6.399332      8.770821      0.744379
  C      -6.019035      9.858112      1.549942
  C      -5.416460      9.639176      2.783941
  C      -5.182050      8.334306      3.212247
  F      -4.622154      8.186914      4.429854
  C      -5.541252      7.216078      2.437886
  C      -5.325389      5.777939      2.803454
  O      -5.978632      4.898576      2.225198
  N      -4.315122      5.551583      3.732810
  C      -4.105488      4.278624      3.999522
  C      -6.160128      7.475765      1.210180
  C     -12.990016      0.069408      1.612521
  C     -11.945968     -0.318069      2.634285
  O     -11.940206     -1.433591      3.143052
  C     -10.892371      0.686288      2.994290
  C     -10.837435      1.967655      2.418670
  C      -9.835107      2.863219      2.778559
  C      -8.876929      2.465832      3.705952
  F      -7.929438      3.365279      4.043531
  C      -8.892788      1.196388      4.306623
  C      -7.895278      0.733609      5.322851
  O      -8.202063     -0.075254      6.196959
  N      -6.607665      1.244831      5.164091
  C      -5.965452      1.604441      6.229627
  C      -9.927602      0.329577      3.942094
  H      -6.536813      4.254266     -0.316691
  H      -4.926960      4.673050     -0.982495
  H      -5.847225      3.278163     -1.629309
  H      -7.462674      2.039593     -0.401071
  H      -8.609313      0.031432      0.518508
  H      -3.399435     -1.947544      5.254397
  H      -4.116276      1.267316      2.182202
  H      -8.003118     10.864738     -0.379090
  H      -6.416345     10.923402     -1.160403
  H      -7.822945     10.280823     -2.065886
  H      -6.194826     10.882683      1.221437
  H      -5.126243     10.465955      3.432738
  H      -4.760070      3.504083      3.521077
  H      -6.462936      6.629219      0.594330
  H     -13.655206     -0.782744      1.439543
  H     -12.521872      0.370444      0.662994
  H     -13.581197      0.927902      1.967426
  H     -11.584107      2.277297      1.687689
  H      -9.779978      3.867029      2.356225
  H      -6.483520      1.704316      7.200214
  H      -9.971154     -0.659048      4.399768
  N      -2.149242      1.765394      3.288927
  N      -1.747331      2.024768      2.100618
  H      -2.436057      2.489859      1.450748
  H      -0.991181      1.454425      1.712078
90
Coordinates from ORCA-job orca E -6724.629278637201
  N      -2.417694     -0.041029      5.609182
  Mo     -3.177489      1.671791      4.770993
  N      -4.619267      1.937676      6.241024
  C      -4.126550      2.771284      7.344129
  C      -2.665893      2.445421      7.635945
  N      -1.809558      2.305259      6.389332
  C      -0.755504      1.258277      6.617130
  C      -1.414287     -0.119040      6.640026
  C      -1.154449      3.598941      5.988593
  C      -2.205171      4.574780      5.487852
  N      -3.181154      3.771602      4.775977
  H      -0.667399     -0.898301      6.423375
  H      -1.870512     -0.350868      7.616080
  H      -0.059606      1.321710      5.771186
  H      -0.208660      1.475336      7.546870
  H      -2.688754      5.125562      6.311224
  H      -1.753521      5.327897      4.823435
  H      -0.584151      3.994366      6.843118
  H      -0.454771      3.349225      5.181169
  H      -4.707437      2.581291      8.261603
  H      -4.261454      3.835629      7.098165
  H      -2.622624      1.481992      8.156929
  H      -2.203673      3.204039      8.285076
  C      -5.729583      3.725557     -0.684457
  C      -5.027259      2.844074      0.305679
  O      -3.836894      3.052104      0.581296
  C      -5.772357      1.699846      0.903991
  C      -7.070547      1.345409      0.493175
  C      -7.706685      0.235041      1.036635
  C      -7.059171     -0.520695      2.010411
  F      -7.700867     -1.579836      2.515393
  C      -5.781806     -0.173874      2.488581
  C      -5.092328     -0.958692      3.546207
  O      -5.328558     -2.129131      3.804158
  N      -4.075691     -0.257368      4.232669
  C      -3.283364     -0.898296      5.095728
  C      -5.163841      0.928692      1.898468
  C      -7.441976     10.307656     -1.034857
  C      -7.128095      8.907194     -0.564258
  O      -7.372392      7.931389     -1.268656
  C      -6.480963      8.733756      0.775298
  C      -6.127095      9.815658      1.599853
  C      -5.529319      9.589831      2.835031
  C      -5.272655      8.283294      3.244680
  F      -4.721003      8.125881      4.464946
  C      -5.603677      7.170766      2.450440
  C      -5.361280      5.732636      2.798621
  O      -6.017973      4.849733      2.229932
  N      -4.336974      5.514710      3.715030
  C      -4.125182      4.243463      3.990083
  C      -6.219740      7.436254      1.222758
  C     -12.794650      0.275058      1.351587
  C     -11.791355     -0.155961      2.396640
  O     -11.795776     -1.296404      2.847240
  C     -10.764504      0.836759      2.852937
  C     -10.687236      2.141189      2.334649
  C      -9.710018      3.024938      2.782603
  C      -8.798365      2.592046      3.740248
  F      -7.879898      3.481475      4.171660
  C      -8.835408      1.297336      4.282944
  C      -7.877327      0.798463      5.319027
  O      -8.214107     -0.038736      6.154166
  N      -6.576687      1.282977      5.189760
  C      -5.935939      1.620810      6.263021
  C      -9.846747      0.443388      3.832827
  H      -6.639200      4.152148     -0.239687
  H      -5.060540      4.534004     -0.995473
  H      -6.032660      3.142690     -1.568308
  H      -7.590770      1.933460     -0.262565
  H      -8.711360     -0.054538      0.730046
  H      -3.360187     -1.967952      5.333256
  H      -4.151975      1.182040      2.203098
  H      -8.113753     10.816409     -0.326971
  H      -6.524503     10.912857     -1.099578
  H      -7.915647     10.259470     -2.020801
  H      -6.320682     10.841481      1.285553
  H      -5.260814     10.412062      3.498767
  H      -4.792454      3.467742      3.534359
  H      -6.501865      6.593816      0.591663
  H     -13.448268     -0.569983      1.113097
  H     -12.288782      0.618770      0.436478
  H     -13.403392      1.115781      1.718799
  H     -11.398027      2.478181      1.580497
  H      -9.640643      4.046587      2.407432
  H      -6.454849      1.726275      7.232479
  H      -9.906177     -0.564721      4.244649
  N      -2.168325      1.717673      3.282236
  N      -1.792227      1.961164      2.082161
  H      -2.495805      2.416835      1.442634
  H      -1.045221      1.385273      1.684221
90
Coordinates from ORCA-job orca E -6724.629217658200
  N      -2.430044     -0.048685      5.633859
  Mo     -3.181859      1.659200      4.777792
  N      -4.613287      1.956712      6.252260
  C      -4.109348      2.800259      7.341801
  C      -2.650175      2.467038      7.629783
  N      -1.801978      2.303073      6.381076
  C      -0.754193      1.251735      6.617903
  C      -1.421674     -0.121214      6.660268
  C      -1.140885      3.587061      5.959960
  C      -2.187867      4.563611      5.453021
  N      -3.173465      3.759108      4.755393
  H      -0.680983     -0.907511      6.448682
  H      -1.874110     -0.339088      7.641050
  H      -0.061105      1.299603      5.768687
  H      -0.202048      1.476766      7.542526
  H      -2.663592      5.127270      6.272205
  H      -1.734485      5.305973      4.777809
  H      -0.563007      3.989400      6.806064
  H      -0.447726      3.322134      5.151801
  H      -4.686400      2.624740      8.264667
  H      -4.238537      3.862665      7.083771
  H      -2.611270      1.510680      8.163523
  H      -2.178381      3.231039      8.265403
  C      -5.697247      3.646197     -0.730648
  C      -4.999719      2.771963      0.269412
  O      -3.816680      2.994366      0.565613
  C      -5.753424      1.642533      0.884777
  C      -7.048000      1.283658      0.466688
  C      -7.691267      0.183544      1.021162
  C      -7.055804     -0.555044      2.016051
  F      -7.705939     -1.601746      2.535326
  C      -5.782625     -0.203574      2.501091
  C      -5.105555     -0.976302      3.576495
  O      -5.348793     -2.142796      3.847974
  N      -4.091369     -0.271028      4.262973
  C      -3.301732     -0.906706      5.132432
  C      -5.156656      0.888074      1.899049
  C      -7.535066     10.324507     -0.964018
  C      -7.156056      8.925711     -0.538572
  O      -7.417165      7.955645     -1.244679
  C      -6.515922      8.737643      0.802350
  C      -6.193443      9.808927      1.653144
  C      -5.599328      9.570240      2.887842
  C      -5.316764      8.261195      3.271331
  F      -4.772511      8.088000      4.492889
  C      -5.616425      7.159464      2.450579
  C      -5.345757      5.720474      2.771698
  O      -6.003627      4.838311      2.204272
  N      -4.322505      5.503842      3.689377
  C      -4.120229      4.232262      3.973355
  C      -6.229581      7.436681      1.224157
  C     -12.759381      0.347321      1.316590
  C     -11.758973     -0.095521      2.359918
  O     -11.808874     -1.219299      2.850290
  C     -10.729906      0.890806      2.825488
  C     -10.608042      2.177423      2.272242
  C      -9.628499      3.055415      2.727350
  C      -8.760789      2.633217      3.729098
  F      -7.852786      3.520082      4.185682
  C      -8.835073      1.353000      4.298152
  C      -7.900402      0.867565      5.359829
  O      -8.253875      0.038387      6.195405
  N      -6.588386      1.318892      5.219071
  C      -5.935503      1.661272      6.282919
  C      -9.850151      0.506096      3.843578
  H      -6.609612      4.075426     -0.293931
  H      -5.027825      4.453419     -1.044614
  H      -5.994343      3.056226     -1.611959
  H      -7.558574      1.859006     -0.305183
  H      -8.692103     -0.111053      0.707292
  H      -3.382965     -1.973631      5.380586
  H      -4.147946      1.144003      2.209497
  H      -8.206558     10.790429     -0.226578
  H      -6.642496     10.964665     -1.036301
  H      -8.032338     10.283090     -1.938629
  H      -6.408076     10.836605      1.359384
  H      -5.354742     10.383820      3.571088
  H      -4.799084      3.460605      3.529950
  H      -6.486483      6.601885      0.571999
  H     -13.440678     -0.481347      1.099240
  H     -12.251411      0.657731      0.391192
  H     -13.338195      1.213476      1.672094
  H     -11.287576      2.506184      1.485993
  H      -9.528729      4.065721      2.329076
  H      -6.446151      1.782891      7.254615
  H      -9.940296     -0.491044      4.278928
  N      -2.178211      1.681961      3.284636
  N      -1.803345      1.914978      2.081903
  H      -2.497323      2.390193      1.444161
  H      -1.071690      1.321251      1.681125
90
Coordinates from ORCA-job orca E -6724.629588401002
  N      -2.408598     -0.053245      5.643164
  Mo     -3.174252      1.646086      4.781492
  N      -4.597939      1.947046      6.261112
  C      -4.093292      2.796734      7.345333
  C      -2.630321      2.472485      7.625858
  N      -1.788500      2.306416      6.372607
  C      -0.733121      1.262158      6.608875
  C      -1.392255     -0.114899      6.662518
  C      -1.136982      3.591846      5.940154
  C      -2.192174      4.559797      5.433550
  N      -3.177446      3.746191      4.745573
  H      -0.648332     -0.897915      6.449424
  H      -1.836443     -0.330886      7.647605
  H      -0.045205      1.309633      5.755325
  H      -0.176671      1.495393      7.528958
  H      -2.666718      5.125207      6.252237
  H      -1.746326      5.301115      4.752118
  H      -0.556395      4.002238      6.780549
  H      -0.447078      3.325929      5.129503
  H      -4.664416      2.620665      8.271868
  H      -4.229857      3.857773      7.084868
  H      -2.583107      1.518896      8.163971
  H      -2.158445      3.242076      8.254676
  C      -5.722307      3.594419     -0.717820
  C      -5.019973      2.730165      0.286631
  O      -3.830908      2.946177      0.563274
  C      -5.770596      1.606405      0.915987
  C      -7.071829      1.250142      0.515188
  C      -7.713394      0.156571      1.084407
  C      -7.069299     -0.578645      2.076470
  F      -7.720603     -1.614609      2.614947
  C      -5.786513     -0.232266      2.540611
  C      -5.096124     -1.002615      3.609065
  O      -5.334845     -2.167818      3.886988
  N      -4.079507     -0.290910      4.285583
  C      -3.278598     -0.918736      5.151286
  C      -5.164077      0.854346      1.925767
  C      -7.575612     10.292752     -0.960375
  C      -7.204732      8.892948     -0.530940
  O      -7.422125      7.927531     -1.258292
  C      -6.574237      8.703256      0.814336
  C      -6.279969      9.771826      1.678772
  C      -5.696951      9.531740      2.918499
  C      -5.396025      8.224107      3.292675
  F      -4.863482      8.047834      4.519015
  C      -5.665776      7.125413      2.457674
  C      -5.375201      5.688372      2.770831
  O      -6.006948      4.800147      2.182319
  N      -4.346702      5.481181      3.684925
  C      -4.133271      4.211349      3.969675
  C      -6.268711      7.403443      1.226442
  C     -12.700149      0.493391      1.232880
  C     -11.724990      0.017518      2.284904
  O     -11.779800     -1.123378      2.731190
  C     -10.685631      0.977285      2.780935
  C     -10.533569      2.270258      2.249682
  C      -9.546638      3.124704      2.732541
  C      -8.702882      2.672160      3.740828
  F      -7.793119      3.538412      4.232942
  C      -8.803387      1.382198      4.284125
  C      -7.879179      0.861778      5.341481
  O      -8.250859      0.045532      6.181245
  N      -6.565471      1.310958      5.219710
  C      -5.920748      1.654196      6.288224
  C      -9.825273      0.559376      3.802602
  H      -6.628385      4.033816     -0.278001
  H      -5.052158      4.394236     -1.048215
  H      -6.030331      2.994315     -1.588333
  H      -7.589241      1.823667     -0.253349
  H      -8.719263     -0.134979      0.785003
  H      -3.352077     -1.984935      5.404871
  H      -4.150079      1.107769      2.222210
  H      -8.269165     10.752530     -0.239985
  H      -6.683629     10.936538     -1.004238
  H      -8.045034     10.254424     -1.948802
  H      -6.509196     10.798402      1.392174
  H      -5.475266     10.342899      3.612453
  H      -4.811402      3.434851      3.534278
  H      -6.503009      6.570853      0.563119
  H     -13.384289     -0.323922      0.982236
  H     -12.171256      0.821221      0.324740
  H     -13.277906      1.356410      1.598044
  H     -11.196044      2.622987      1.459158
  H      -9.424976      4.139647      2.352992
  H      -6.435581      1.774957      7.257787
  H      -9.936864     -0.443140      4.217985
  N      -2.180158      1.664853      3.281928
  N      -1.814850      1.892923      2.074949
  H      -2.516298      2.358334      1.437407
  H      -1.082655      1.300451      1.673622
90
Coordinates from ORCA-job orca E -6724.629519207822
  N      -2.413948     -0.053461      5.653131
  Mo     -3.167746      1.644781      4.779156
  N      -4.601403      1.955215      6.248489
  C      -4.102055      2.808127      7.332792
  C      -2.642187      2.480932      7.624587
  N      -1.792472      2.307731      6.378095
  C      -0.741921      1.261523      6.626252
  C      -1.405271     -0.113766      6.680143
  C      -1.134340      3.589860      5.945021
  C      -2.183181      4.558684      5.426721
  N      -3.165286      3.744899      4.734422
  H      -0.661514     -0.899163      6.475219
  H      -1.857025     -0.325287      7.662817
  H      -0.047285      1.304117      5.777887
  H      -0.191883      1.496750      7.549690
  H      -2.662616      5.128103      6.239760
  H      -1.729856      5.296299      4.746231
  H      -0.558907      4.002134      6.788057
  H      -0.439268      3.318970      5.140441
  H      -4.679407      2.636417      8.256265
  H      -4.234639      3.868527      7.067967
  H      -2.601652      1.528970      8.166348
  H      -2.172078      3.251353      8.253727
  C      -5.663517      3.581888     -0.751468
  C      -4.974593      2.729154      0.271090
  O      -3.785896      2.943503      0.551093
  C      -5.726719      1.600009      0.888216
  C      -7.019640      1.236907      0.466746
  C      -7.666898      0.143782      1.029985
  C      -7.038408     -0.582980      2.038065
  F      -7.698345     -1.614315      2.574720
  C      -5.762537     -0.233566      2.518592
  C      -5.086219     -1.001622      3.597832
  O      -5.325977     -2.166956      3.872175
  N      -4.074687     -0.290590      4.282563
  C      -3.281534     -0.918300      5.155704
  C      -5.132556      0.851607      1.908180
  C      -7.585966     10.314491     -0.936044
  C      -7.225282      8.909874     -0.513827
  O      -7.413123      7.954391     -1.262375
  C      -6.590316      8.709767      0.827846
  C      -6.308286      9.770201      1.706329
  C      -5.721773      9.520730      2.942537
  C      -5.404562      8.211954      3.298819
  F      -4.867001      8.025913      4.521583
  C      -5.661533      7.121245      2.449409
  C      -5.354300      5.683716      2.744643
  O      -5.973820      4.795915      2.142245
  N      -4.332595      5.476578      3.665967
  C      -4.117086      4.207356      3.952582
  C      -6.267701      7.408434      1.221807
  C     -12.767310      0.489523      1.302861
  C     -11.784815      0.023379      2.352086
  O     -11.825110     -1.118608      2.796283
  C     -10.727464      0.980165      2.814523
  C     -10.572115      2.262271      2.258557
  C      -9.570959      3.116367      2.711549
  C      -8.718406      2.674898      3.717111
  F      -7.796513      3.543021      4.182816
  C      -8.820742      1.394141      4.283175
  C      -7.891909      0.885502      5.344118
  O      -8.257227      0.065991      6.183140
  N      -6.574981      1.321375      5.207805
  C      -5.926067      1.668317      6.272173
  C      -9.853888      0.570599      3.828549
  H      -6.575135      4.025758     -0.327583
  H      -4.988498      4.378158     -1.079950
  H      -5.960312      2.972931     -1.619727
  H      -7.526196      1.805725     -0.312357
  H      -8.666178     -0.153154      0.714651
  H      -3.359049     -1.983875      5.410663
  H      -4.123688      1.108698      2.218769
  H      -8.290640     10.768516     -0.222986
  H      -6.692195     10.957118     -0.958558
  H      -8.038823     10.286480     -1.932496
  H      -6.550012     10.797692      1.433566
  H      -5.509163     10.325280      3.646985
  H      -4.791253      3.428177      3.515269
  H      -6.491408      6.582124      0.547096
  H     -13.455394     -0.328916      1.066538
  H     -12.245862      0.806879      0.386530
  H     -13.339362      1.357718      1.664640
  H     -11.241791      2.606753      1.470310
  H      -9.444840      4.122325      2.310961
  H      -6.441691      1.800664      7.239991
  H      -9.969334     -0.422886      4.263059
  N      -2.159529      1.655479      3.288996
  N      -1.782851      1.875347      2.084374
  H      -2.482728      2.324986      1.433221
  H      -1.042749      1.283035      1.697659
90
Coordinates from ORCA-job orca E -6724.629746310994
  N      -2.385456     -0.060739      5.671685
  Mo     -3.155986      1.624947      4.787719
  N      -4.581432      1.942663      6.261226
  C      -4.080824      2.803456      7.338629
  C      -2.616831      2.486943      7.622596
  N      -1.774678      2.310434      6.371022
  C      -0.714826      1.273896      6.619874
  C      -1.367719     -0.105570      6.690371
  C      -1.128871      3.593567      5.922621
  C      -2.187804      4.550593      5.403107
  N      -3.168718      3.724847      4.723067
  H      -0.620154     -0.887256      6.485416
  H      -1.809574     -0.312279      7.678487
  H      -0.026880      1.314311      5.766026
  H      -0.159584      1.520779      7.537096
  H      -2.666504      5.122974      6.214488
  H      -1.743548      5.286094      4.714444
  H      -0.550729      4.017155      6.758148
  H      -0.437303      3.320566      5.115754
  H      -4.651761      2.632708      8.266275
  H      -4.221244      3.861886      7.069836
  H      -2.566591      1.538942      8.170375
  H      -2.147034      3.264504      8.243065
  C      -5.709800      3.516079     -0.722738
  C      -5.002686      2.663778      0.287969
  O      -3.812334      2.884997      0.555120
  C      -5.745385      1.538540      0.923418
  C      -7.042632      1.169827      0.520589
  C      -7.680735      0.079656      1.099657
  C      -7.038437     -0.638068      2.105578
  F      -7.690322     -1.665309      2.659693
  C      -5.757332     -0.282988      2.567141
  C      -5.065787     -1.041955      3.643045
  O      -5.295156     -2.207963      3.925034
  N      -4.054510     -0.319930      4.316021
  C      -3.249591     -0.935798      5.186826
  C      -5.137369      0.799157      1.941566
  C      -7.676386     10.258863     -0.917817
  C      -7.279591      8.859293     -0.511533
  O      -7.455486      7.905873     -1.265362
  C      -6.659435      8.656910      0.836684
  C      -6.413792      9.712636      1.731480
  C      -5.838856      9.461747      2.972843
  C      -5.497261      8.156224      3.318033
  F      -4.972951      7.966710      4.546109
  C      -5.718061      7.070405      2.452586
  C      -5.383304      5.636997      2.737712
  O      -5.978258      4.742137      2.121197
  N      -4.358102      5.443603      3.657707
  C      -4.131196      4.177226      3.947731
  C      -6.313594      7.358235      1.219999
  C     -12.687572      0.703543      1.190267
  C     -11.711492      0.181942      2.219412
  O     -11.771979     -0.974611      2.623149
  C     -10.655886      1.112001      2.737467
  C     -10.476725      2.410325      2.229097
  C      -9.476972      3.238640      2.730941
  C      -8.650813      2.754884      3.739132
  F      -7.733438      3.598280      4.256873
  C      -8.776460      1.455861      4.257785
  C      -7.870045      0.902671      5.315048
  O      -8.260483      0.076040      6.135288
  N      -6.546755      1.326224      5.205132
  C      -5.907333      1.662943      6.278279
  C      -9.807642      0.658798      3.754725
  H      -6.615669      3.957048     -0.283990
  H      -5.042056      4.314542     -1.060951
  H      -6.018386      2.907346     -1.587069
  H      -7.559683      1.731704     -0.256687
  H      -8.683113     -0.221891      0.798591
  H      -3.317145     -2.000096      5.449920
  H      -4.125740      1.060708      2.238322
  H      -8.394117     10.686350     -0.201204
  H      -6.799507     10.924455     -0.930857
  H      -8.126457     10.230804     -1.915538
  H      -6.674698     10.737639      1.467198
  H      -5.654260     10.262411      3.689452
  H      -4.804768      3.392803      3.520271
  H      -6.508760      6.535540      0.532133
  H     -13.387782     -0.094434      0.922700
  H     -12.161476      1.047680      0.286639
  H     -13.245966      1.565975      1.585257
  H     -11.125846      2.787476      1.438840
  H      -9.332431      4.256014      2.366591
  H      -6.429957      1.797717      7.242015
  H      -9.940900     -0.348632      4.151508
  N      -2.157797      1.629016      3.290684
  N      -1.790881      1.842753      2.082082
  H      -2.497121      2.286437      1.433232
  H      -1.052485      1.249550      1.693250
90
Coordinates from ORCA-job orca E -6724.629831939481
  N      -2.372277     -0.067984      5.700505
  Mo     -3.149947      1.605317      4.798897
  N      -4.562585      1.947381      6.277512
  C      -4.053969      2.818653      7.342356
  C      -2.587457      2.505298      7.617136
  N      -1.756305      2.312929      6.360310
  C      -0.693080      1.280746      6.613539
  C      -1.343413     -0.098659      6.708359
  C      -1.115720      3.590362      5.888229
  C      -2.179397      4.539467      5.364019
  N      -3.165387      3.704462      4.702518
  H      -0.596940     -0.881870      6.505291
  H      -1.774244     -0.293502      7.703672
  H      -0.012786      1.310546      5.753174
  H      -0.129763      1.540390      7.522290
  H      -2.652524      5.122054      6.171427
  H      -1.740321      5.266230      4.662876
  H      -0.530856      4.026206      6.712714
  H      -0.430833      3.306285      5.079509
  H      -4.617549      2.656685      8.276147
  H      -4.196748      3.874616      7.064640
  H      -2.532419      1.564177      8.176054
  H      -2.111813      3.290395      8.223403
  C      -5.723283      3.398832     -0.746711
  C      -5.013666      2.566975      0.279166
  O      -3.825466      2.800403      0.546516
  C      -5.755927      1.457492      0.942129
  C      -7.055605      1.082957      0.552029
  C      -7.693486      0.006311      1.155969
  C      -7.047597     -0.692198      2.173229
  F      -7.699904     -1.704521      2.753651
  C      -5.762942     -0.331988      2.620143
  C      -5.064973     -1.076545      3.702068
  O      -5.290015     -2.240039      3.997770
  N      -4.052157     -0.345151      4.362351
  C      -3.238548     -0.950045      5.233050
  C      -5.144516      0.737666      1.971974
  C      -7.798093     10.225240     -0.855127
  C      -7.376775      8.827360     -0.468150
  O      -7.544000      7.880116     -1.231607
  C      -6.751175      8.617530      0.876430
  C      -6.527877      9.664498      1.787175
  C      -5.947492      9.407488      3.024807
  C      -5.577326      8.104617      3.349627
  F      -5.048888      7.906849      4.574787
  C      -5.774239      7.027860      2.467394
  C      -5.409575      5.598020      2.732794
  O      -5.991014      4.700291      2.107529
  N      -4.375955      5.412628      3.644132
  C      -4.140761      4.148374      3.938306
  C      -6.377038      7.320766      1.239644
  C     -12.590469      0.900132      1.073485
  C     -11.629813      0.339028      2.096327
  O     -11.703372     -0.829138      2.463546
  C     -10.576862      1.245820      2.658802
  C     -10.363068      2.547237      2.172765
  C      -9.365664      3.353805      2.713659
  C      -8.578021      2.844544      3.739710
  F      -7.667975      3.667920      4.301293
  C      -8.736606      1.540129      4.235059
  C      -7.859570      0.958062      5.301661
  O      -8.278255      0.132605      6.108394
  N      -6.527036      1.356716      5.212123
  C      -5.892885      1.688790      6.289544
  C      -9.764636      0.765503      3.693300
  H      -6.628432      3.847611     -0.314491
  H      -5.056717      4.191321     -1.101027
  H      -6.032413      2.773276     -1.598739
  H      -7.574515      1.629630     -0.234762
  H      -8.697420     -0.300266      0.865065
  H      -3.301565     -2.011632      5.508020
  H      -4.130757      1.002596      2.258207
  H      -8.521106     10.631665     -0.131540
  H      -6.932367     10.905330     -0.861525
  H      -8.250269     10.202487     -1.852042
  H      -6.811000     10.687476      1.538420
  H      -5.780473     10.201036      3.753524
  H      -4.819404      3.359963      3.527883
  H      -6.554534      6.504569      0.539100
  H     -13.299630      0.119262      0.780225
  H     -12.052237      1.258668      0.182668
  H     -13.138686      1.760887      1.485661
  H     -10.982502      2.944119      1.368375
  H      -9.194228      4.372732      2.365960
  H      -6.419547      1.834633      7.249376
  H      -9.923122     -0.246074      4.070362
  N      -2.162702      1.589040      3.294521
  N      -1.804678      1.787714      2.080467
  H      -2.515845      2.221577      1.429234
  H      -1.069989      1.188014      1.694336
90
Coordinates from ORCA-job orca E -6724.630018515430
  N      -2.353393     -0.082062      5.742886
  Mo     -3.134514      1.573727      4.811671
  N      -4.537569      1.952290      6.288671
  C      -4.024003      2.838341      7.338135
  C      -2.556213      2.527758      7.608869
  N      -1.733637      2.312178      6.350273
  C      -0.667219      1.285965      6.615605
  C      -1.314134     -0.093204      6.740277
  C      -1.098039      3.581569      5.849444
  C      -2.165565      4.519275      5.312512
  N      -3.152789      3.671370      4.669235
  H      -0.567677     -0.878101      6.543334
  H      -1.734408     -0.272061      7.743082
  H       0.007497      1.301237      5.750495
  H      -0.098030      1.563048      7.515570
  H      -2.637296      5.114818      6.111350
  H      -1.728686      5.234508      4.598225
  H      -0.509394      4.034421      6.662041
  H      -0.417187      3.282679      5.042655
  H      -4.582675      2.688862      8.277109
  H      -4.168029      3.890864      7.047247
  H      -2.498585      1.596610      8.183916
  H      -2.075154      3.322832      8.197454
  C      -5.703525      3.266900     -0.760790
  C      -4.991658      2.443593      0.270550
  O      -3.800096      2.674024      0.526734
  C      -5.738117      1.353626      0.959824
  C      -7.041883      0.978767      0.582093
  C      -7.685335     -0.078776      1.213344
  C      -7.040620     -0.756223      2.245986
  F      -7.701368     -1.742643      2.860293
  C      -5.750683     -0.396962      2.677081
  C      -5.049897     -1.125973      3.767666
  O      -5.273833     -2.285290      4.080197
  N      -4.039991     -0.382439      4.418721
  C      -3.219234     -0.973233      5.293108
  C      -5.127464      0.653585      2.003045
  C      -7.975041     10.150409     -0.783462
  C      -7.504357      8.759541     -0.429451
  O      -7.633611      7.826447     -1.217205
  C      -6.887998      8.536256      0.917280
  C      -6.729615      9.562687      1.864231
  C      -6.155612      9.294707      3.102568
  C      -5.725694      8.001772      3.391130
  F      -5.205676      7.789552      4.617731
  C      -5.855608      6.946220      2.471705
  C      -5.426409      5.527778      2.699622
  O      -5.959401      4.624815      2.039366
  N      -4.394642      5.360667      3.614697
  C      -4.143078      4.101040      3.916041
  C      -6.455198      7.248023      1.244730
  C     -12.501717      1.210983      0.966058
  C     -11.540213      0.585076      1.949591
  O     -11.617409     -0.603007      2.246471
  C     -10.487115      1.453354      2.568423
  C     -10.229667      2.760256      2.121352
  C      -9.229058      3.529816      2.708957
  C      -8.485772      2.977499      3.745468
  F      -7.579356      3.766453      4.360720
  C      -8.686632      1.664472      4.201229
  C      -7.843143      1.033085      5.268163
  O      -8.295350      0.205332      6.053016
  N      -6.499333      1.397700      5.203768
  C      -5.874132      1.725807      6.287111
  C      -9.715045      0.927429      3.612045
  H      -6.598480      3.731996     -0.324316
  H      -5.032428      4.047245     -1.133093
  H      -6.028559      2.632236     -1.599917
  H      -7.559013      1.509922     -0.216341
  H      -8.691758     -0.387078      0.932682
  H      -3.277304     -2.031446      5.581939
  H      -4.111206      0.919190      2.279956
  H      -8.722995     10.508635     -0.059751
  H      -7.136226     10.862950     -0.758445
  H      -8.412927     10.138066     -1.786908
  H      -7.059203     10.578113      1.643295
  H      -6.039098     10.071601      3.858538
  H      -4.820844      3.303721      3.523342
  H      -6.580697      6.447255      0.515216
  H     -13.226376      0.457121      0.641804
  H     -11.966092      1.603133      0.087798
  H     -13.029407      2.060278      1.425853
  H     -10.814436      3.190388      1.308208
  H      -9.020601      4.550654      2.388048
  H      -6.408845      1.889122      7.239505
  H      -9.905818     -0.090597      3.955179
  N      -2.150979      1.528986      3.305196
  N      -1.793913      1.711670      2.087943
  H      -2.500037      2.149024      1.431212
  H      -1.069467      1.096531      1.706396
90
Coordinates from ORCA-job orca E -6724.630379977263
  N      -2.339726     -0.099642      5.786449
  Mo     -3.118208      1.541574      4.827184
  N      -4.511003      1.960468      6.300568
  C      -3.990793      2.857941      7.336206
  C      -2.522782      2.544597      7.603490
  N      -1.708884      2.304723      6.343692
  C      -0.642521      1.280898      6.619826
  C      -1.290016     -0.095681      6.772670
  C      -1.073941      3.564299      5.816289
  C      -2.141993      4.494257      5.266767
  N      -3.131770      3.637063      4.640231
  H      -0.545770     -0.884108      6.580948
  H      -1.699970     -0.258323      7.782536
  H       0.026556      1.280822      5.750243
  H      -0.066659      1.572241      7.511076
  H      -2.611390      5.103033      6.057096
  H      -1.704157      5.197156      4.540843
  H      -0.481071      4.031368      6.617775
  H      -0.397090      3.249706      5.012067
  H      -4.545851      2.721659      8.279488
  H      -4.132179      3.907790      7.033660
  H      -2.465835      1.622895      8.193697
  H      -2.034140      3.346975      8.175536
  C      -5.680692      3.143317     -0.772530
  C      -4.970047      2.331825      0.269225
  O      -3.775221      2.558195      0.515367
  C      -5.720230      1.257704      0.977987
  C      -7.025881      0.881448      0.606748
  C      -7.677483     -0.155442      1.263591
  C      -7.037998     -0.810137      2.314435
  F      -7.710909     -1.766689      2.961838
  C      -5.743821     -0.453241      2.733439
  C      -5.043479     -1.167181      3.834212
  O      -5.268040     -2.322156      4.161914
  N      -4.033680     -0.415085      4.475608
  C      -3.207781     -0.995961      5.352656
  C      -5.113321      0.577227      2.035730
  C      -8.192923     10.024370     -0.715748
  C      -7.671142      8.646047     -0.384939
  O      -7.772920      7.720387     -1.185286
  C      -7.045388      8.423211      0.957658
  C      -6.937746      9.435327      1.926821
  C      -6.353310      9.168960      3.160662
  C      -5.861117      7.892529      3.421740
  F      -5.332444      7.679164      4.644710
  C      -5.937917      6.852277      2.479093
  C      -5.442652      5.450807      2.678193
  O      -5.931795      4.540066      1.994581
  N      -4.408874      5.306606      3.591993
  C      -4.137561      4.053017      3.900037
  C      -6.550563      7.150629      1.257867
  C     -12.384453      1.546313      0.843471
  C     -11.412036      0.858203      1.773015
  O     -11.464905     -0.352672      1.967150
  C     -10.380523      1.690731      2.470418
  C     -10.104147      3.015797      2.095962
  C      -9.114311      3.748241      2.746589
  C      -8.405337      3.141045      3.776177
  F      -7.510069      3.892331      4.453446
  C      -8.629037      1.809522      4.164030
  C      -7.818270      1.116847      5.219892
  O      -8.299865      0.269676      5.964441
  N      -6.465489      1.451035      5.187591
  C      -5.852906      1.768261      6.281028
  C      -9.642252      1.109055      3.509290
  H      -6.567589      3.624138     -0.336305
  H      -5.004399      3.911465     -1.160429
  H      -6.017619      2.498382     -1.598845
  H      -7.538719      1.396828     -0.204646
  H      -8.686151     -0.464624      0.991200
  H      -3.264917     -2.051100      5.652763
  H      -4.095791      0.844454      2.306966
  H      -8.955169     10.342313      0.011822
  H      -7.380951     10.766649     -0.675894
  H      -8.628489     10.012999     -1.720203
  H      -7.315752     10.438147      1.726846
  H      -6.275914      9.934246      3.933292
  H      -4.813608      3.245478      3.526744
  H      -6.634442      6.360765      0.510354
  H     -13.104943      0.812403      0.468240
  H     -11.856698      2.004340     -0.007348
  H     -12.913496      2.356900      1.367082
  H     -10.660101      3.488283      1.286176
  H      -8.884130      4.778657      2.475267
  H      -6.398181      1.947946      7.224285
  H      -9.847836      0.075991      3.793538
  N      -2.136652      1.465622      3.320353
  N      -1.778987      1.630444      2.100433
  H      -2.481176      2.064603      1.435984
  H      -1.063551      1.000110      1.726488
90
Coordinates from ORCA-job orca E -6724.630660377091
  N      -2.346507     -0.120823      5.818333
  Mo     -3.092677      1.522474      4.837872
  N      -4.495333      1.974643      6.292227
  C      -3.977853      2.870796      7.329583
  C      -2.516469      2.540198      7.612409
  N      -1.693407      2.282637      6.362904
  C      -0.640393      1.249216      6.655000
  C      -1.302219     -0.120810      6.810040
  C      -1.039428      3.533052      5.833867
  C      -2.090909      4.470240      5.264482
  N      -3.077876      3.617555      4.629724
  H      -0.562923     -0.916223      6.627291
  H      -1.719244     -0.274975      7.818517
  H       0.036323      1.238890      5.791474
  H      -0.069409      1.539452      7.549839
  H      -2.565877      5.087156      6.045355
  H      -1.633676      5.164576      4.542124
  H      -0.452295      4.000345      6.639596
  H      -0.355497      3.207159      5.040059
  H      -4.543616      2.743856      8.267937
  H      -4.104216      3.921402      7.022513
  H      -2.476776      1.621813      8.209663
  H      -2.023000      3.339772      8.184105
  C      -5.556167      3.092583     -0.819154
  C      -4.872959      2.294577      0.251243
  O      -3.680189      2.515994      0.513711
  C      -5.636432      1.219619      0.941233
  C      -6.932838      0.842545      0.539286
  C      -7.611386     -0.173716      1.201724
  C      -7.006034     -0.807759      2.285261
  F      -7.715340     -1.724646      2.951410
  C      -5.715443     -0.461212      2.722422
  C      -5.041302     -1.167318      3.844105
  O      -5.280024     -2.317680      4.176830
  N      -4.030999     -0.420309      4.491438
  C      -3.218759     -1.008640      5.376997
  C      -5.058178      0.549862      2.021245
  C      -8.411774      9.836508     -0.686696
  C      -7.841686      8.477684     -0.354716
  O      -7.932921      7.541440     -1.143974
  C      -7.175849      8.287891      0.973995
  C      -7.086343      9.309256      1.935217
  C      -6.463636      9.073478      3.156476
  C      -5.914503      7.819242      3.412478
  F      -5.349001      7.637513      4.624293
  C      -5.970575      6.770732      2.476710
  C      -5.416759      5.388920      2.667092
  O      -5.872612      4.462668      1.980005
  N      -4.382307      5.269672      3.578680
  C      -4.087013      4.023946      3.890243
  C      -6.622773      7.038459      1.268863
  C     -12.397788      1.787612      0.848801
  C     -11.373027      1.072167      1.697490
  O     -11.352627     -0.153373      1.773977
  C     -10.373823      1.888885      2.454212
  C     -10.141124      3.244514      2.172908
  C      -9.158090      3.954044      2.859043
  C      -8.418851      3.296273      3.834685
  F      -7.509415      4.018637      4.527536
  C      -8.616302      1.940269      4.146570
  C      -7.799705      1.190128      5.159457
  O      -8.278233      0.301616      5.855677
  N      -6.443941      1.515422      5.143781
  C      -5.841089      1.812250      6.247822
  C      -9.612671      1.259567      3.447666
  H      -6.452566      3.577421     -0.406640
  H      -4.868763      3.856787     -1.194617
  H      -5.875331      2.440581     -1.646581
  H      -7.421945      1.348495     -0.292439
  H      -8.618605     -0.477765      0.916380
  H      -3.289954     -2.063790      5.673936
  H      -4.046429      0.818799      2.312909
  H      -9.170944     10.136757      0.051336
  H      -7.622177     10.603272     -0.665760
  H      -8.864625      9.803264     -1.682976
  H      -7.508645     10.294984      1.738996
  H      -6.399229      9.846002      3.923075
  H      -4.751917      3.202605      3.524914
  H      -6.689930      6.241538      0.527487
  H     -13.089675      1.053234      0.423669
  H     -11.910775      2.340070      0.030231
  H     -12.950795      2.525056      1.450330
  H     -10.714544      3.756749      1.400011
  H      -8.944313      5.000576      2.644161
  H      -6.397801      2.001977      7.182157
  H      -9.790080      0.204974      3.661027
  N      -2.087265      1.421368      3.347900
  N      -1.706136      1.575471      2.133558
  H      -2.391643      2.008208      1.451964
  H      -0.995143      0.930402      1.776612
90
Coordinates from ORCA-job orca E -6724.630350571691
  N      -2.340984     -0.141106      5.873777
  Mo     -3.092599      1.482205      4.864104
  N      -4.451736      2.002172      6.330593
  C      -3.902635      2.911163      7.338982
  C      -2.438739      2.567005      7.595402
  N      -1.650132      2.270225      6.331539
  C      -0.598577      1.234906      6.623180
  C      -1.267275     -0.124626      6.833131
  C      -0.999134      3.501250      5.754049
  C      -2.056404      4.431772      5.183744
  N      -3.062042      3.570736      4.591688
  H      -0.539961     -0.930978      6.649994
  H      -1.655172     -0.248704      7.857306
  H       0.054448      1.196131      5.742431
  H      -0.001129      1.543255      7.494394
  H      -2.510505      5.071229      5.958979
  H      -1.608082      5.104381      4.435597
  H      -0.390065      3.985315      6.533184
  H      -0.336039      3.149026      4.953782
  H      -4.451007      2.810916      8.290976
  H      -4.020580      3.957589      7.014024
  H      -2.395404      1.662798      8.213781
  H      -1.921488      3.373434      8.135497
  C      -5.671383      2.933715     -0.772218
  C      -4.964077      2.149634      0.292943
  O      -3.762588      2.366038      0.516732
  C      -5.718774      1.097496      1.025500
  C      -7.026762      0.723083      0.660441
  C      -7.703481     -0.263576      1.367128
  C      -7.084863     -0.867332      2.460459
  F      -7.797696     -1.742429      3.177090
  C      -5.779831     -0.527147      2.858535
  C      -5.089662     -1.209282      3.986194
  O      -5.333521     -2.348069      4.353745
  N      -4.060184     -0.455886      4.595641
  C      -3.231005     -1.031189      5.475507
  C      -5.124315      0.452765      2.112234
  C      -8.763092      9.635616     -0.534645
  C      -8.142055      8.293077     -0.228659
  O      -8.225997      7.359598     -1.021922
  C      -7.417030      8.121254      1.071276
  C      -7.335798      9.137042      2.039073
  C      -6.659647      8.917321      3.234643
  C      -6.048489      7.685569      3.457085
  F      -5.432098      7.516859      4.645905
  C      -6.092566      6.644475      2.512697
  C      -5.475220      5.285414      2.671181
  O      -5.917462      4.345781      1.992817
  N      -4.414716      5.196972      3.553960
  C      -4.097379      3.960979      3.879576
  C      -6.798982      6.894811      1.331954
  C     -11.983902      2.187696      0.475840
  C     -10.994085      1.432682      1.331148
  O     -10.918754      0.207005      1.288408
  C     -10.086727      2.208103      2.231194
  C      -9.854715      3.582291      2.064330
  C      -8.940858      4.251784      2.875335
  C      -8.272632      3.535512      3.860766
  F      -7.430334      4.218382      4.670614
  C      -8.478812      2.160204      4.066522
  C      -7.741311      1.342573      5.088039
  O      -8.273947      0.423670      5.699391
  N      -6.377912      1.620295      5.143972
  C      -5.800488      1.887195      6.269347
  C      -9.402349      1.519891      3.241265
  H      -6.550095      3.433680     -0.340097
  H      -4.988266      3.684647     -1.180786
  H      -6.022114      2.270624     -1.577488
  H      -7.527207      1.209670     -0.176064
  H      -8.721250     -0.562291      1.115239
  H      -3.303615     -2.079493      5.795536
  H      -4.104618      0.721373      2.375243
  H      -9.508707      9.907811      0.227597
  H      -7.997106     10.426231     -0.531768
  H      -9.244869      9.593825     -1.516924
  H      -7.807153     10.105187      1.868641
  H      -6.600945      9.684879      4.006656
  H      -4.771337      3.128660      3.557805
  H      -6.857912      6.102828      0.585056
  H     -12.617654      1.472597     -0.058713
  H     -11.461323      2.821815     -0.257400
  H     -12.601007      2.855014      1.096320
  H     -10.369194      4.141072      1.282266
  H      -8.722238      5.311381      2.746752
  H      -6.370385      2.100606      7.190297
  H      -9.581493      0.451715      3.366452
  N      -2.120226      1.326558      3.356689
  N      -1.762712      1.447472      2.131518
  H      -2.456476      1.874309      1.454770
  H      -1.074356      0.778623      1.773826
90
Coordinates from ORCA-job orca E -6724.631209349631
  N      -2.335077     -0.119485      5.839474
  Mo     -3.089580      1.511682      4.845278
  N      -4.484499      1.978812      6.301777
  C      -3.960611      2.878556      7.332881
  C      -2.496839      2.552421      7.607426
  N      -1.682035      2.289198      6.353688
  C      -0.624429      1.261503      6.647523
  C      -1.282639     -0.107388      6.822347
  C      -1.035361      3.536557      5.810378
  C      -2.093114      4.465155      5.238251
  N      -3.079689      3.603975      4.614685
  H      -0.544092     -0.903680      6.641931
  H      -1.690919     -0.251078      7.835761
  H       0.045169      1.243590      5.778695
  H      -0.047294      1.561993      7.534829
  H      -2.566337      5.087433      6.015719
  H      -1.641595      5.154585      4.507718
  H      -0.445086      4.012683      6.608409
  H      -0.354923      3.205767      5.015630
  H      -4.520551      2.755200      8.275189
  H      -4.090173      3.927709      7.022691
  H      -2.451092      1.637790      8.209785
  H      -2.001515      3.356354      8.171545
  C      -5.623090      3.046774     -0.788062
  C      -4.915172      2.241002      0.260582
  O      -3.723235      2.473914      0.511440
  C      -5.668751      1.172558      0.972940
  C      -6.970127      0.791685      0.593259
  C      -7.634676     -0.226777      1.265753
  C      -7.012194     -0.855894      2.341983
  F      -7.701420     -1.789013      3.007629
  C      -5.719920     -0.498729      2.765763
  C      -5.034243     -1.193895      3.887431
  O      -5.271802     -2.340548      4.236028
  N      -4.025493     -0.437137      4.524938
  C      -3.208028     -1.014031      5.412762
  C      -5.075384      0.512206      2.051572
  C      -8.479556      9.828442     -0.629947
  C      -7.919059      8.463520     -0.306763
  O      -8.019715      7.532061     -1.100386
  C      -7.224595      8.269908      1.006476
  C      -7.116109      9.287620      1.969699
  C      -6.471916      9.045839      3.178608
  C      -5.920732      7.789630      3.419947
  F      -5.335648      7.599842      4.620941
  C      -5.994020      6.745749      2.481376
  C      -5.441670      5.362907      2.660801
  O      -5.906976      4.439308      1.977258
  N      -4.397063      5.244502      3.563668
  C      -4.097792      4.001049      3.882291
  C      -6.665999      7.019385      1.285634
  C     -12.296421      1.869332      0.730221
  C     -11.282786      1.145090      1.584334
  O     -11.251047     -0.082267      1.632257
  C     -10.303750      1.954989      2.374423
  C     -10.076446      3.317780      2.123052
  C      -9.117998      4.022597      2.846887
  C      -8.391297      3.352358      3.823489
  F      -7.509022      4.069220      4.555807
  C      -8.580567      1.990514      4.103787
  C      -7.785964      1.234686      5.125675
  O      -8.280043      0.334824      5.796269
  N      -6.427795      1.551377      5.135807
  C      -5.832059      1.832061      6.248235
  C      -9.559685      1.314764      3.374120
  H      -6.513176      3.523966     -0.353956
  H      -4.945842      3.815990     -1.171539
  H      -5.956401      2.400910     -1.614704
  H      -7.471608      1.290256     -0.235605
  H      -8.645444     -0.533163      0.995888
  H      -3.274603     -2.066771      5.719430
  H      -4.061704      0.786547      2.328988
  H      -9.227555     10.133166      0.117756
  H      -7.683184     10.588321     -0.616338
  H      -8.944128      9.801643     -1.621029
  H      -7.541489     10.274347      1.785410
  H      -6.393193      9.814692      3.947518
  H      -4.764282      3.174557      3.529212
  H      -6.749372      6.224886      0.543812
  H     -12.976540      1.138644      0.281041
  H     -11.797345      2.436830     -0.070514
  H     -12.864325      2.594478      1.332055
  H     -10.641984      3.840994      1.351628
  H      -8.916917      5.077948      2.663783
  H      -6.393903      2.022422      7.179424
  H      -9.739473      0.257701      3.573376
  N      -2.094606      1.395592      3.349336
  N      -1.724837      1.538683      2.130756
  H      -2.423764      1.955427      1.454871
  H      -1.015778      0.892156      1.772406
90
Coordinates from ORCA-job orca E -6724.631378170290
  N      -2.341323     -0.128589      5.867245
  Mo     -3.078621      1.497678      4.851778
  N      -4.474603      1.995311      6.297675
  C      -3.947430      2.896766      7.325191
  C      -2.486812      2.561404      7.605155
  N      -1.671056      2.281129      6.356039
  C      -0.620355      1.249165      6.661252
  C      -1.286832     -0.114638      6.847892
  C      -1.014816      3.519363      5.802489
  C      -2.064124      4.448682      5.216229
  N      -3.051582      3.587223      4.595121
  H      -0.553070     -0.916662      6.672835
  H      -1.694010     -0.248005      7.863187
  H       0.050332      1.219399      5.793610
  H      -0.042395      1.554096      7.546602
  H      -2.538309      5.080299      5.985591
  H      -1.603748      5.128988      4.482552
  H      -0.424905      4.000207      6.598012
  H      -0.333070      3.176646      5.013883
  H      -4.510343      2.781375      8.266886
  H      -4.069459      3.945616      7.010149
  H      -2.449577      1.651873      8.215711
  H      -1.986437      3.366119      8.163601
  C      -5.562967      2.974306     -0.817504
  C      -4.880554      2.196892      0.269240
  O      -3.688629      2.422728      0.529655
  C      -5.645238      1.135687      0.980252
  C      -6.941590      0.750240      0.587563
  C      -7.615223     -0.261152      1.262640
  C      -7.002352     -0.883912      2.348434
  F      -7.695559     -1.815829      3.011441
  C      -5.715980     -0.520768      2.784815
  C      -5.039733     -1.206144      3.917147
  O      -5.275097     -2.351981      4.268966
  N      -4.031548     -0.446064      4.552188
  C      -3.217432     -1.021406      5.444216
  C      -5.065272      0.486223      2.071905
  C      -8.638179      9.726598     -0.567382
  C      -8.036162      8.375884     -0.259535
  O      -8.160780      7.433531     -1.036822
  C      -7.310558      8.197412      1.038988
  C      -7.207977      9.216037      2.002011
  C      -6.535234      8.988124      3.198006
  C      -5.949521      7.745165      3.426369
  F      -5.338221      7.567878      4.616155
  C      -6.014370      6.701641      2.486447
  C      -5.430402      5.330258      2.653109
  O      -5.875084      4.403732      1.959575
  N      -4.382386      5.222434      3.551234
  C      -4.076356      3.981286      3.871175
  C      -6.716469      6.960386      1.304708
  C     -12.263975      2.031397      0.688260
  C     -11.226527      1.291983      1.499099
  O     -11.160045      0.064874      1.482008
  C     -10.268519      2.085479      2.329344
  C     -10.042779      3.455110      2.115953
  C      -9.091731      4.142138      2.865441
  C      -8.371504      3.447346      3.829376
  F      -7.487350      4.143408      4.580511
  C      -8.563888      2.079910      4.076577
  C      -7.773632      1.296504      5.082632
  O      -8.276543      0.393751      5.742410
  N      -6.413336      1.605068      5.107871
  C      -5.825100      1.881374      6.225275
  C      -9.537455      1.422442      3.323511
  H      -6.458892      3.468063     -0.414949
  H      -4.874320      3.729379     -1.208778
  H      -5.882773      2.306327     -1.631931
  H      -7.433356      1.241480     -0.251435
  H      -8.625353     -0.567205      0.987092
  H      -3.290651     -2.072199      5.755878
  H      -4.055657      0.765184      2.359713
  H      -9.369571     10.016136      0.202564
  H      -7.859285     10.504238     -0.579519
  H      -9.132743      9.686538     -1.543375
  H      -7.660583     10.192419      1.827880
  H      -6.460574      9.757553      3.966761
  H      -4.743674      3.151246      3.528054
  H      -6.794809      6.164512      0.563206
  H     -12.935921      1.307391      0.215953
  H     -11.784298      2.639945     -0.094172
  H     -12.836717      2.721280      1.325833
  H     -10.598910      3.996280      1.350024
  H      -8.887466      5.200689      2.707254
  H      -6.393793      2.079129      7.150599
  H      -9.719722      0.361094      3.495984
  N      -2.077399      1.357960      3.361752
  N      -1.698136      1.493136      2.144107
  H      -2.383256      1.923740      1.462064
  H      -1.001333      0.831027      1.790093
90
Coordinates from ORCA-job orca E -6724.631298072329
  N      -2.348960     -0.127745      5.864748
  Mo     -3.084746      1.502808      4.855207
  N      -4.462473      2.011276      6.315943
  C      -3.915732      2.901948      7.342583
  C      -2.454358      2.554412      7.604286
  N      -1.652559      2.274215      6.345211
  C      -0.606174      1.233611      6.637371
  C      -1.283190     -0.123242      6.833701
  C      -0.992822      3.509128      5.790292
  C      -2.042457      4.445845      5.215623
  N      -3.038706      3.589832      4.601977
  H      -0.560509     -0.933789      6.651979
  H      -1.680368     -0.250350      7.853785
  H       0.052470      1.197364      5.760756
  H      -0.014642      1.533938      7.515290
  H      -2.505539      5.080142      5.989346
  H      -1.586792      5.123975      4.476789
  H      -0.392303      3.983538      6.581619
  H      -0.320338      3.164772      4.994368
  H      -4.469870      2.789106      8.289854
  H      -4.031712      3.952966      7.032321
  H      -2.416512      1.642275      8.210783
  H      -1.944366      3.353321      8.162600
  C      -5.690602      2.973744     -0.768538
  C      -5.003122      2.234164      0.340865
  O      -3.810498      2.466108      0.590450
  C      -5.750274      1.158282      1.050507
  C      -7.045342      0.761203      0.669328
  C      -7.695077     -0.272755      1.332716
  C      -7.056904     -0.911321      2.393720
  F      -7.716877     -1.886680      3.027357
  C      -5.776533     -0.524548      2.833540
  C      -5.087499     -1.198076      3.964990
  O      -5.314654     -2.341699      4.328519
  N      -4.060808     -0.438403      4.573272
  C      -3.240950     -1.014329      5.458821
  C      -5.150788      0.504350      2.129686
  C      -8.729438      9.693616     -0.498469
  C      -8.144345      8.339469     -0.173768
  O      -8.348330      7.368982     -0.898362
  C      -7.328363      8.196580      1.074199
  C      -7.118568      9.254988      1.975338
  C      -6.369510      9.055677      3.130069
  C      -5.816941      7.801512      3.379956
  F      -5.133327      7.656023      4.533328
  C      -5.986392      6.718325      2.499521
  C      -5.446348      5.332741      2.694021
  O      -5.961952      4.390876      2.073695
  N      -4.362556      5.226042      3.553203
  C      -4.065798      3.985863      3.883044
  C      -6.761289      6.951291      1.358004
  C     -12.043669      1.967382      0.461381
  C     -11.055096      1.254873      1.352205
  O     -10.954120      0.030293      1.339679
  C     -10.178590      2.073762      2.244865
  C     -10.021935      3.462255      2.083042
  C      -9.140450      4.173019      2.890474
  C      -8.410079      3.485820      3.852584
  F      -7.583117      4.201389      4.649780
  C      -8.537152      2.104778      4.051758
  C      -7.748701      1.332325      5.065091
  O      -8.238900      0.392235      5.683705
  N      -6.398399      1.666278      5.121980
  C      -5.812286      1.901965      6.250080
  C      -9.454730      1.422002      3.249426
  H      -6.603063      3.454131     -0.388697
  H      -5.015537      3.734023     -1.173420
  H      -5.986808      2.279994     -1.570720
  H      -7.556966      1.261039     -0.152709
  H      -8.710399     -0.575077      1.072304
  H      -3.320992     -2.062256      5.778116
  H      -4.143485      0.796715      2.412650
  H      -9.393635     10.035882      0.309859
  H      -7.933778     10.447033     -0.601619
  H      -9.295824      9.627276     -1.433087
  H      -7.546755     10.239504      1.785918
  H      -6.210603      9.856151      3.853047
  H      -4.745357      3.157342      3.556616
  H      -6.925403      6.124748      0.666848
  H     -12.649621      1.225987     -0.070574
  H     -11.517424      2.597005     -0.273573
  H     -12.693027      2.633644      1.048399
  H     -10.582188      3.997122      1.316001
  H      -9.002669      5.248873      2.783883
  H      -6.379149      2.081028      7.180381
  H      -9.595129      0.350841      3.397945
  N      -2.111377      1.349442      3.348460
  N      -1.755318      1.481467      2.122617
  H      -2.450862      1.923584      1.462863
  H      -1.074657      0.813514      1.749593
90
Coordinates from ORCA-job orca E -6724.631903821240
  N      -2.338686     -0.133312      5.898519
  Mo     -3.064867      1.485787      4.864052
  N      -4.457421      2.009750      6.304799
  C      -3.922527      2.908212      7.330777
  C      -2.463294      2.564369      7.609074
  N      -1.649679      2.274907      6.360077
  C      -0.603615      1.239263      6.670556
  C      -1.278754     -0.117846      6.873632
  C      -0.987985      3.507060      5.800450
  C      -2.034379      4.435111      5.206074
  N      -3.019708      3.570199      4.587656
  H      -0.552570     -0.927683      6.702919
  H      -1.681621     -0.237976      7.892370
  H       0.062414      1.197093      5.799879
  H      -0.020202      1.548912      7.550654
  H      -2.509330      5.073257      5.969410
  H      -1.571874      5.109240      4.467840
  H      -0.397521      3.990949      6.593608
  H      -0.305826      3.157938      5.014834
  H      -4.485466      2.799680      8.273436
  H      -4.037570      3.957352      7.013693
  H      -2.430076      1.657494      8.223803
  H      -1.959371      3.368517      8.165324
  C      -5.609035      2.914777     -0.794207
  C      -4.909109      2.133438      0.278197
  O      -3.719065      2.368004      0.534374
  C      -5.672057      1.083703      1.010279
  C      -6.975734      0.703762      0.640611
  C      -7.644203     -0.302823      1.327325
  C      -7.016514     -0.929675      2.401304
  F      -7.697913     -1.870678      3.063191
  C      -5.727051     -0.560560      2.829047
  C      -5.048584     -1.226847      3.971301
  O      -5.293662     -2.360613      4.354528
  N      -4.035445     -0.458244      4.590952
  C      -3.223344     -1.025462      5.489592
  C      -5.082894      0.441567      2.102354
  C      -8.880316      9.562076     -0.463635
  C      -8.271707      8.217697     -0.141682
  O      -8.442233      7.250327     -0.878803
  C      -7.439850      8.089952      1.097500
  C      -7.261654      9.144263      2.010098
  C      -6.498237      8.958018      3.157469
  C      -5.898609      7.721838      3.387961
  F      -5.200524      7.588507      4.534104
  C      -6.033811      6.644359      2.494460
  C      -5.443422      5.276462      2.667378
  O      -5.915606      4.330831      2.019218
  N      -4.365121      5.189179      3.534785
  C      -4.050553      3.954062      3.867056
  C      -6.824537      6.863242      1.361037
  C     -12.078110      2.240913      0.487063
  C     -11.076335      1.480362      1.321259
  O     -10.996603      0.255215      1.261054
  C     -10.165876      2.250277      2.222674
  C      -9.967715      3.635856      2.088496
  C      -9.054078      4.301421      2.898617
  C      -8.336149      3.571061      3.838089
  F      -7.474931      4.242973      4.637598
  C      -8.505329      2.190919      4.011149
  C      -7.733176      1.373580      5.002691
  O      -8.243252      0.429119      5.597730
  N      -6.378484      1.684524      5.078916
  C      -5.807000      1.913231      6.215915
  C      -9.450535      1.553647      3.203543
  H      -6.505492      3.398157     -0.380908
  H      -4.930899      3.676022     -1.191913
  H      -5.933397      2.248217     -1.607970
  H      -7.480580      1.197455     -0.189339
  H      -8.667147     -0.588867      1.077510
  H      -3.303594     -2.072073      5.813470
  H      -4.070149      0.722694      2.378026
  H      -9.557888      9.885974      0.341004
  H      -8.098940     10.331816     -0.555354
  H      -9.437756      9.490122     -1.403202
  H      -7.726433     10.114897      1.835829
  H      -6.363288      9.754962      3.889134
  H      -4.720070      3.116330      3.543609
  H      -6.961769      6.040144      0.659897
  H     -12.718284      1.530116     -0.045724
  H     -11.561973      2.879810     -0.246855
  H     -12.691033      2.904276      1.115308
  H     -10.518109      4.203803      1.338472
  H      -8.879963      5.373774      2.808567
  H      -6.386868      2.105011      7.135650
  H      -9.624153      0.484848      3.331578
  N      -2.074283      1.318177      3.370249
  N      -1.707498      1.438432      2.146849
  H      -2.408128      1.851031      1.473559
  H      -1.017007      0.771097      1.791135
90
Coordinates from ORCA-job orca E -6724.631978843461
  N      -2.344322     -0.133156      5.899355
  Mo     -3.060885      1.487380      4.860790
  N      -4.461176      2.013246      6.293234
  C      -3.932101      2.909445      7.323950
  C      -2.474518      2.563863      7.610104
  N      -1.653890      2.273792      6.365997
  C      -0.610724      1.236394      6.680747
  C      -1.287449     -0.120863      6.877765
  C      -0.986885      3.505464      5.811873
  C      -2.027895      4.435028      5.211222
  N      -3.009528      3.571802      4.584403
  H      -0.561078     -0.930545      6.706988
  H      -1.693474     -0.243850      7.894887
  H       0.059761      1.195106      5.813522
  H      -0.031585      1.544250      7.564310
  H      -2.508385      5.072250      5.971910
  H      -1.559101      5.109929      4.477729
  H      -0.401210      3.988102      6.609348
  H      -0.299905      3.156070      5.030624
  H      -4.499777      2.797364      8.263399
  H      -4.046182      3.959634      7.009812
  H      -2.445940      1.656625      8.224415
  H      -1.972612      3.367011      8.169584
  C      -5.591504      2.940198     -0.782652
  C      -4.892102      2.140310      0.276357
  O      -3.699957      2.365736      0.531899
  C      -5.658091      1.087868      1.001264
  C      -6.960435      0.707098      0.626394
  C      -7.629383     -0.303452      1.307741
  C      -7.004817     -0.930912      2.383581
  F      -7.684349     -1.876582      3.041011
  C      -5.717672     -0.560235      2.815392
  C      -5.042128     -1.227299      3.957601
  O      -5.285034     -2.362765      4.337855
  N      -4.034700     -0.455818      4.583333
  C      -3.226241     -1.024401      5.483754
  C      -5.072414      0.444072      2.093383
  C      -8.870899      9.549880     -0.488138
  C      -8.269150      8.205789     -0.152865
  O      -8.470558      7.224763     -0.863568
  C      -7.424094      8.089627      1.078531
  C      -7.232892      9.153556      1.977194
  C      -6.458439      8.977791      3.118775
  C      -5.860597      7.742260      3.357538
  F      -5.150117      7.621194      4.497368
  C      -6.008162      6.655355      2.477199
  C      -5.421516      5.287008      2.657113
  O      -5.889709      4.343706      2.003203
  N      -4.350496      5.195868      3.533088
  C      -4.040057      3.959190      3.865092
  C      -6.809402      6.864203      1.349337
  C     -12.110553      2.236858      0.514179
  C     -11.080625      1.477831      1.315122
  O     -10.956161      0.259910      1.201739
  C     -10.192086      2.242364      2.243239
  C     -10.034485      3.636237      2.155784
  C      -9.140130      4.300931      2.988016
  C      -8.398411      3.560130      3.900731
  F      -7.555926      4.230333      4.721197
  C      -8.528409      2.170161      4.028502
  C      -7.730203      1.341973      4.991555
  O      -8.214082      0.368634      5.561371
  N      -6.381061      1.677511      5.063799
  C      -5.810665      1.914393      6.199905
  C      -9.455580      1.534239      3.200045
  H      -6.480896      3.427321     -0.358565
  H      -4.908954      3.700077     -1.175558
  H      -5.926132      2.285672     -1.602095
  H      -7.463231      1.201727     -0.204267
  H      -8.649180     -0.592966      1.049850
  H      -3.308934     -2.071648      5.805090
  H      -4.061589      0.726879      2.374568
  H      -9.534440      9.893119      0.320283
  H      -8.084315     10.311023     -0.603427
  H      -9.442304      9.467399     -1.418395
  H      -7.696051     10.123831      1.796655
  H      -6.312880      9.782788      3.839455
  H      -4.709003      3.123443      3.536184
  H      -6.954979      6.033637      0.658043
  H     -12.732874      1.526865     -0.040032
  H     -11.618456      2.916321     -0.199410
  H     -12.738104      2.859198      1.169228
  H     -10.600368      4.212393      1.423941
  H      -8.995774      5.379970      2.931639
  H      -6.392427      2.095132      7.120694
  H      -9.595725      0.456735      3.289642
  N      -2.063413      1.318820      3.371851
  N      -1.691019      1.443818      2.150276
  H      -2.386253      1.863974      1.474678
  H      -1.003543      0.773380      1.794344
90
Coordinates from ORCA-job orca E -6724.632262208426
  N      -2.350961     -0.135899      5.911166
  Mo     -3.054611      1.483604      4.863279
  N      -4.461163      2.017852      6.288290
  C      -3.932074      2.910701      7.322081
  C      -2.477242      2.559585      7.614502
  N      -1.651234      2.267478      6.374808
  C      -0.613469      1.226749      6.695297
  C      -1.296852     -0.126819      6.892656
  C      -0.976855      3.496609      5.824590
  C      -2.011357      4.428161      5.216149
  N      -2.989555      3.565779      4.583354
  H      -0.574050     -0.940168      6.725174
  H      -1.706136     -0.246203      7.908818
  H       0.059348      1.181058      5.830191
  H      -0.036255      1.534116      7.580213
  H      -2.496064      5.067179      5.972559
  H      -1.536738      5.101205      4.484770
  H      -0.395020      3.977962      6.625567
  H      -0.285759      3.144967      5.047996
  H      -4.503875      2.800275      8.259229
  H      -4.040948      3.961459      7.008411
  H      -2.454977      1.651919      8.228392
  H      -1.975549      3.360579      8.177319
  C      -5.596578      2.948874     -0.759414
  C      -4.903814      2.165730      0.315509
  O      -3.711530      2.391027      0.570861
  C      -5.661449      1.094213      1.020151
  C      -6.953825      0.698882      0.628339
  C      -7.615106     -0.328233      1.291893
  C      -6.993858     -0.957288      2.368541
  F      -7.663105     -1.925927      3.002325
  C      -5.717222     -0.570935      2.819445
  C      -5.047560     -1.232493      3.967902
  O      -5.286380     -2.368200      4.349415
  N      -4.039100     -0.458706      4.590907
  C      -3.235268     -1.025384      5.496267
  C      -5.078399      0.448016      2.112404
  C      -9.000187      9.471991     -0.415922
  C      -8.398016      8.132126     -0.065442
  O      -8.669327      7.124783     -0.713698
  C      -7.472153      8.051380      1.109384
  C      -7.208320      9.145414      1.951864
  C      -6.364090      8.999704      3.047158
  C      -5.770207      7.764097      3.296381
  F      -4.989368      7.677402      4.392070
  C      -5.988238      6.647265      2.469223
  C      -5.413438      5.275659      2.662409
  O      -5.905949      4.325197      2.037192
  N      -4.328133      5.187336      3.523467
  C      -4.018663      3.951762      3.861605
  C      -6.856352      6.828230      1.386530
  C     -12.054308      2.294341      0.439819
  C     -11.063981      1.524862      1.279583
  O     -10.966111      0.302472      1.188859
  C     -10.179164      2.284684      2.215509
  C     -10.019178      3.679414      2.133645
  C      -9.130760      4.339800      2.975239
  C      -8.390196      3.594598      3.885222
  F      -7.545377      4.260404      4.707143
  C      -8.522698      2.204665      4.007067
  C      -7.728451      1.370626      4.966387
  O      -8.215148      0.389510      5.521387
  N      -6.379447      1.701568      5.049864
  C      -5.810666      1.925131      6.189267
  C      -9.449516      1.573089      3.174617
  H      -6.498406      3.428143     -0.353219
  H      -4.917175      3.713089     -1.149180
  H      -5.911254      2.283423     -1.578364
  H      -7.456738      1.195923     -0.200909
  H      -8.629066     -0.625203      1.019777
  H      -3.324019     -2.070586      5.822558
  H      -4.075731      0.743342      2.408357
  H      -9.600908      9.860046      0.421036
  H      -8.212137     10.213513     -0.616996
  H      -9.636093      9.361641     -1.300347
  H      -7.669063     10.115590      1.764626
  H      -6.160239      9.828832      3.725084
  H      -4.689145      3.115013      3.536239
  H      -7.058508      5.974467      0.739707
  H     -12.677743      1.590344     -0.121229
  H     -11.526152      2.950965     -0.269451
  H     -12.685400      2.941094      1.066828
  H     -10.581434      4.259287      1.401193
  H      -8.990288      5.419131      2.927415
  H      -6.394902      2.104515      7.108747
  H      -9.593611      0.496390      3.264484
  N      -2.056027      1.304689      3.376651
  N      -1.682381      1.428618      2.155117
  H      -2.372788      1.858995      1.482178
  H      -1.001756      0.752264      1.797118
90
Coordinates from ORCA-job orca E -6724.632454907231
  N      -2.374488     -0.146077      5.945565
  Mo     -3.043798      1.471818      4.874434
  N      -4.450955      2.043549      6.285234
  C      -3.913872      2.932184      7.318183
  C      -2.466236      2.560080      7.620674
  N      -1.636706      2.248609      6.388117
  C      -0.616267      1.194846      6.721870
  C      -1.321492     -0.146198      6.928513
  C      -0.941197      3.464824      5.835068
  C      -1.959074      4.404883      5.211414
  N      -2.939694      3.548146      4.575638
  H      -0.611676     -0.972304      6.768273
  H      -1.733782     -0.251427      7.945052
  H       0.058432      1.131585      5.859378
  H      -0.037710      1.501179      7.606252
  H      -2.443849      5.054317      5.958758
  H      -1.470914      5.067476      4.479345
  H      -0.359465      3.944085      6.637303
  H      -0.248469      3.099191      5.066327
  H      -4.492494      2.834628      8.252698
  H      -4.004966      3.983230      6.999776
  H      -2.461536      1.655844      8.239992
  H      -1.956309      3.356564      8.182565
  C      -5.568276      2.927675     -0.751530
  C      -4.887804      2.150939      0.335242
  O      -3.696603      2.372967      0.598611
  C      -5.653542      1.081489      1.034199
  C      -6.942571      0.688051      0.631566
  C      -7.613366     -0.334798      1.291718
  C      -7.005251     -0.962455      2.376440
  F      -7.683224     -1.928579      3.003963
  C      -5.732190     -0.576448      2.840919
  C      -5.078953     -1.230485      4.003213
  O      -5.330811     -2.358317      4.398570
  N      -4.063430     -0.459590      4.621427
  C      -3.270981     -1.026616      5.536697
  C      -5.083762      0.438023      2.135449
  C      -9.317146      9.226216     -0.246679
  C      -8.682493      7.909755      0.133017
  O      -9.028184      6.859722     -0.403036
  C      -7.622143      7.907234      1.190881
  C      -7.275223      9.051291      1.930813
  C      -6.313659      8.972757      2.931972
  C      -5.686628      7.755033      3.190213
  F      -4.788930      7.741086      4.195147
  C      -5.982963      6.589916      2.458479
  C      -5.388054      5.229006      2.666201
  O      -5.891307      4.258541      2.081005
  N      -4.281832      5.164298      3.504326
  C      -3.969392      3.933409      3.855041
  C      -6.965199      6.706186      1.467822
  C     -11.885940      2.514874      0.271943
  C     -10.945472      1.718512      1.142735
  O     -10.864627      0.495715      1.040161
  C     -10.093107      2.451313      2.128839
  C      -9.935573      3.849155      2.094740
  C      -9.074618      4.484691      2.982053
  C      -8.351587      3.713130      3.884134
  F      -7.522484      4.354867      4.741412
  C      -8.483057      2.320268      3.959269
  C      -7.707139      1.454794      4.905522
  O      -8.205870      0.456345      5.418501
  N      -6.359469      1.773351      5.023995
  C      -5.800675      1.974680      6.172121
  C      -9.389205      1.713257      3.086512
  H      -6.476092      3.407967     -0.359812
  H      -4.885017      3.689671     -1.138844
  H      -5.872573      2.256368     -1.569871
  H      -7.438470      1.185489     -0.201768
  H      -8.628048     -0.621602      1.011529
  H      -3.378306     -2.066528      5.874174
  H      -4.084152      0.733355      2.441367
  H      -9.819934      9.679328      0.621606
  H      -8.556036      9.944145     -0.588229
  H     -10.048731      9.057857     -1.043705
  H      -7.762886     10.007472      1.739512
  H      -6.041995      9.841758      3.531693
  H      -4.645697      3.094906      3.542842
  H      -7.230769      5.813741      0.901381
  H     -12.495576      1.829067     -0.325938
  H     -11.314272      3.170549     -0.404008
  H     -12.533893      3.165161      0.877556
  H     -10.478490      4.450245      1.364703
  H      -8.941660      5.565739      2.974390
  H      -6.391981      2.158702      7.086078
  H      -9.536214      0.634981      3.145670
  N      -2.047087      1.258680      3.391665
  N      -1.675162      1.367361      2.167734
  H      -2.366571      1.792896      1.494353
  H      -1.004128      0.679163      1.814466
90
Coordinates from ORCA-job orca E -6724.632683806090
  N      -2.364927     -0.144643      5.930622
  Mo     -3.043743      1.478256      4.874230
  N      -4.457972      2.022799      6.288072
  C      -3.930177      2.905788      7.330467
  C      -2.480413      2.541813      7.633125
  N      -1.644997      2.249522      6.399604
  C      -0.617667      1.199879      6.724686
  C      -1.313612     -0.148137      6.915417
  C      -0.957327      3.476771      5.862207
  C      -1.981129      4.415704      5.247067
  N      -2.953061      3.558131      4.598885
  H      -0.597744     -0.967422      6.747158
  H      -1.726850     -0.267466      7.930015
  H       0.059441      1.150401      5.863127
  H      -0.043356      1.501266      7.613524
  H      -2.473399      5.052735      6.000137
  H      -1.496842      5.090499      4.523639
  H      -0.381078      3.951266      6.671189
  H      -0.260200      3.125067      5.090927
  H      -4.510091      2.794505      8.262656
  H      -4.028779      3.959117      7.022010
  H      -2.470542      1.631145      8.242804
  H      -1.978043      3.336309      8.204554
  C      -5.586460      2.963416     -0.743234
  C      -4.893751      2.174672      0.327377
  O      -3.705791      2.407928      0.595194
  C      -5.651302      1.096310      1.021279
  C      -6.937252      0.695125      0.616160
  C      -7.598565     -0.338897      1.268345
  C      -6.985206     -0.969290      2.348445
  F      -7.654899     -1.945303      2.969086
  C      -5.716119     -0.574564      2.816744
  C      -5.057483     -1.233456      3.973593
  O      -5.301490     -2.366153      4.360126
  N      -4.049534     -0.459460      4.600803
  C      -3.254111     -1.028225      5.512275
  C      -5.076680      0.450937      2.118866
  C      -9.270248      9.227706     -0.313259
  C      -8.667032      7.910326      0.111443
  O      -9.046755      6.849861     -0.379651
  C      -7.593409      7.920307      1.155434
  C      -7.216780      9.079141      1.856732
  C      -6.245196      9.011830      2.848912
  C      -5.639111      7.790262      3.138303
  F      -4.728303      7.791041      4.131114
  C      -5.967289      6.609102      2.446866
  C      -5.395294      5.243060      2.683930
  O      -5.909288      4.270397      2.111998
  N      -4.295015      5.176207      3.530802
  C      -3.982075      3.944052      3.877975
  C      -6.955902      6.716036      1.461500
  C     -11.911738      2.514224      0.310343
  C     -10.971855      1.706885      1.171933
  O     -10.890176      0.485797      1.052892
  C     -10.120657      2.427104      2.168604
  C      -9.979449      3.826824      2.166794
  C      -9.121288      4.451234      3.065150
  C      -8.382290      3.667115      3.942939
  F      -7.552060      4.297640      4.807166
  C      -8.499091      2.271657      3.987141
  C      -7.707771      1.395043      4.909237
  O      -8.189931      0.378312      5.401676
  N      -6.365274      1.731942      5.031106
  C      -5.806762      1.933244      6.178784
  C      -9.403033      1.675081      3.105321
  H      -6.497846      3.427505     -0.340547
  H      -4.912765      3.738949     -1.120475
  H      -5.886534      2.302860     -1.571741
  H      -7.437084      1.192974     -0.214564
  H      -8.608126     -0.635236      0.980919
  H      -3.354357     -2.071552      5.841446
  H      -4.079380      0.751806      2.426955
  H      -9.753220      9.726566      0.541090
  H      -8.493782      9.911850     -0.687999
  H     -10.013363      9.048871     -1.097246
  H      -7.687878     10.038617      1.641626
  H      -5.948621      9.893342      3.417793
  H      -4.653177      3.105709      3.553474
  H      -7.242262      5.812873      0.923350
  H     -12.517835      1.835895     -0.299159
  H     -11.339877      3.181840     -0.353747
  H     -12.563769      3.153494      0.923405
  H     -10.531767      4.438882      1.453389
  H      -9.002373      5.533846      3.083637
  H      -6.398077      2.100386      7.096027
  H      -9.536773      0.593989      3.139550
  N      -2.047309      1.287439      3.388548
  N      -1.680641      1.411536      2.164386
  H      -2.379953      1.833590      1.496813
  H      -1.002005      0.734952      1.803302
90
Coordinates from ORCA-job orca E -6724.632904732534
  N      -2.369087     -0.153023      5.938404
  Mo     -3.034113      1.473604      4.881176
  N      -4.458478      2.015946      6.284807
  C      -3.937873      2.890981      7.337032
  C      -2.491700      2.521422      7.650388
  N      -1.645924      2.235945      6.422348
  C      -0.622512      1.183112      6.748955
  C      -1.321684     -0.164957      6.927404
  C      -0.952614      3.466342      5.899559
  C      -1.970675      4.409048      5.280868
  N      -2.933389      3.554013      4.616004
  H      -0.606282     -0.984049      6.756073
  H      -1.739063     -0.290995      7.939501
  H       0.060421      1.137514      5.891763
  H      -0.053827      1.478951      7.643291
  H      -2.472499      5.039676      6.032932
  H      -1.479636      5.089677      4.567496
  H      -0.383874      3.935440      6.716959
  H      -0.248523      3.119524      5.132390
  H      -4.526054      2.774400      8.263438
  H      -4.031569      3.946788      7.035419
  H      -2.489767      1.606439      8.253539
  H      -1.992287      3.310657      8.231625
  C      -5.564690      2.994070     -0.727540
  C      -4.869101      2.186093      0.327276
  O      -3.682203      2.419289      0.600981
  C      -5.627533      1.102484      1.010558
  C      -6.908397      0.697205      0.593243
  C      -7.570354     -0.342119      1.236606
  C      -6.963756     -0.972832      2.320445
  F      -7.633609     -1.953761      2.932395
  C      -5.700135     -0.574018      2.800064
  C      -5.046951     -1.236673      3.957845
  O      -5.292932     -2.370443      4.339946
  N      -4.045484     -0.462331      4.596017
  C      -3.255901     -1.034294      5.510410
  C      -5.059768      0.456516      2.110953
  C      -9.409203      9.051945     -0.287873
  C      -8.805999      7.757242      0.201020
  O      -9.243983      6.671033     -0.172331
  C      -7.660695      7.822215      1.163163
  C      -7.233065      9.017646      1.766969
  C      -6.195932      9.000818      2.692626
  C      -5.575857      7.793792      3.013921
  F      -4.596839      7.849821      3.937086
  C      -5.955117      6.576019      2.418352
  C      -5.378199      5.218231      2.688964
  O      -5.891313      4.231677      2.140016
  N      -4.281243      5.167628      3.542360
  C      -3.961145      3.938148      3.893744
  C      -7.006579      6.634360      1.495459
  C     -11.865577      2.685438      0.282624
  C     -10.936486      1.848523      1.127917
  O     -10.842133      0.634305      0.957259
  C     -10.103644      2.532390      2.164932
  C      -9.985029      3.932032      2.235197
  C      -9.143071      4.522533      3.171594
  C      -8.392524      3.706689      4.009319
  F      -7.566935      4.305987      4.900129
  C      -8.492296      2.309132      3.986306
  C      -7.697611      1.396834      4.870333
  O      -8.171243      0.351472      5.307951
  N      -6.358380      1.735820      5.013745
  C      -5.807113      1.928098      6.165398
  C      -9.382348      1.745521      3.069986
  H      -6.476647      3.448635     -0.315190
  H      -4.892863      3.777932     -1.090922
  H      -5.864146      2.348687     -1.568020
  H      -7.403435      1.194144     -0.240830
  H      -8.573916     -0.643072      0.934383
  H      -3.360061     -2.078469      5.835744
  H      -4.067042      0.761283      2.429578
  H      -9.829533      9.625616      0.552628
  H      -8.644047      9.687053     -0.759389
  H     -10.202873      8.831906     -1.009329
  H      -7.713907      9.966578      1.527717
  H      -5.855936      9.912291      3.184822
  H      -4.626811      3.096875      3.562248
  H      -7.328738      5.703119      1.030690
  H     -12.456442      2.028918     -0.364382
  H     -11.286119      3.382883     -0.343418
  H     -12.532578      3.295992      0.908649
  H     -10.538222      4.572285      1.547814
  H      -9.041658      5.604524      3.245498
  H      -6.403881      2.085814      7.080788
  H      -9.501939      0.662628      3.050302
  N      -2.031998      1.286101      3.399246
  N      -1.663152      1.420537      2.176321
  H      -2.359744      1.850697      1.509946
  H      -0.985927      0.744812      1.810970
90
Coordinates from ORCA-job orca E -6724.632920463111
  N      -2.372962     -0.159718      5.948702
  Mo     -3.029221      1.469035      4.891968
  N      -4.462533      2.006058      6.286496
  C      -3.950156      2.874562      7.347552
  C      -2.506788      2.502344      7.670585
  N      -1.651026      2.224983      6.447292
  C      -0.629378      1.171049      6.774930
  C      -1.328943     -0.178364      6.941297
  C      -0.954843      3.459210      5.937618
  C      -1.969134      4.404428      5.316431
  N      -2.923075      3.550587      4.637580
  H      -0.612569     -0.995819      6.766234
  H      -1.749673     -0.312081      7.950999
  H       0.059392      1.130527      5.922082
  H      -0.066532      1.462378      7.674464
  H      -2.479382      5.028884      6.067785
  H      -1.473594      5.090629      4.611539
  H      -0.392764      3.923865      6.762116
  H      -0.244928      3.117375      5.173623
  H      -4.546063      2.752785      8.268399
  H      -4.040680      3.932425      7.052060
  H      -2.510824      1.582951      8.266779
  H      -2.011197      3.287075      8.261113
  C      -5.557366      3.025782     -0.704031
  C      -4.853395      2.199003      0.331514
  O      -3.666546      2.433034      0.605272
  C      -5.608175      1.107311      1.004356
  C      -6.883333      0.695550      0.575521
  C      -7.543545     -0.349937      1.210749
  C      -6.942327     -0.979407      2.298202
  F      -7.612854     -1.962790      2.904528
  C      -5.683912     -0.575617      2.787368
  C      -5.034823     -1.242220      3.945503
  O      -5.281272     -2.378027      4.321398
  N      -4.041247     -0.467265      4.595295
  C      -3.256159     -1.040616      5.512508
  C      -5.044544      0.460707      2.106268
  C      -9.575591      8.876504     -0.214216
  C      -8.968675      7.612629      0.344951
  O      -9.473990      6.513189      0.125146
  C      -7.735326      7.725132      1.185226
  C      -7.234025      8.953020      1.651999
  C      -6.115448      8.981452      2.476994
  C      -5.489317      7.788015      2.837025
  F      -4.420481      7.893513      3.648748
  C      -5.943374      6.537539      2.377719
  C      -5.373771      5.187450      2.696527
  O      -5.899279      4.185962      2.187366
  N      -4.276559      5.155706      3.551803
  C      -3.948737      3.930130      3.911984
  C      -7.071372      6.551998      1.547514
  C     -11.784282      2.868697      0.230439
  C     -10.864821      2.000921      1.055292
  O     -10.758593      0.795965      0.832370
  C     -10.062603      2.641975      2.142363
  C      -9.968138      4.036623      2.290295
  C      -9.151896      4.586968      3.273490
  C      -8.399924      3.738938      4.076547
  F      -7.592489      4.302242      5.007058
  C      -8.480034      2.343072      3.979086
  C      -7.687856      1.394397      4.826254
  O      -8.156801      0.325223      5.207169
  N      -6.352662      1.733567      5.000127
  C      -5.811380      1.920601      6.155809
  C      -9.346063      1.817934      3.018413
  H      -6.469651      3.467773     -0.278472
  H      -4.890409      3.819854     -1.054292
  H      -5.857282      2.396656     -1.556472
  H      -7.375141      1.190980     -0.261249
  H      -8.540617     -0.657345      0.895078
  H      -3.361775     -2.085477      5.835257
  H      -4.056890      0.771011      2.434926
  H      -9.908051      9.539638      0.599496
  H      -8.835388      9.438283     -0.803598
  H     -10.433700      8.619395     -0.843782
  H      -7.718561      9.892302      1.383757
  H      -5.712903      9.919621      2.859681
  H      -4.610221      3.085424      3.576487
  H      -7.445424      5.595357      1.184774
  H     -12.353031      2.237673     -0.460113
  H     -11.200141      3.602909     -0.347458
  H     -12.472559      3.440837      0.869623
  H     -10.513243      4.706956      1.625849
  H      -9.069218      5.664817      3.407424
  H      -6.414444      2.069320      7.068568
  H      -9.449321      0.736279      2.937549
  N      -2.023625      1.288206      3.411680
  N      -1.657698      1.430934      2.188509
  H      -2.359128      1.855083      1.522702
  H      -0.974717      0.762234      1.821087
90
Coordinates from ORCA-job orca E -6724.633109040229
  N      -2.350891     -0.149253      5.940043
  Mo     -3.039219      1.472389      4.892436
  N      -4.464360      1.991478      6.299919
  C      -3.953409      2.865836      7.356755
  C      -2.503097      2.510645      7.666682
  N      -1.655939      2.244087      6.434781
  C      -0.617862      1.203429      6.752436
  C      -1.298261     -0.155086      6.923596
  C      -0.980394      3.486427      5.917884
  C      -2.011729      4.420059      5.307448
  N      -2.963956      3.556475      4.638036
  H      -0.572819     -0.962973      6.741626
  H      -1.708612     -0.294965      7.936709
  H       0.064500      1.172425      5.894004
  H      -0.051026      1.501140      7.647388
  H      -2.520498      5.039003      6.064285
  H      -1.530660      5.111587      4.597757
  H      -0.414925      3.957705      6.736309
  H      -0.274967      3.152345      5.146433
  H      -4.540387      2.737597      8.282418
  H      -4.058332      3.922662      7.062174
  H      -2.491050      1.590672      8.261823
  H      -2.010767      3.300626      8.252861
  C      -5.616251      2.963602     -0.723427
  C      -4.895954      2.151996      0.313537
  O      -3.708693      2.398385      0.573821
  C      -5.636133      1.062133      1.005168
  C      -6.911000      0.634897      0.590092
  C      -7.556887     -0.409688      1.241244
  C      -6.940014     -1.024153      2.328449
  F      -7.596659     -2.007851      2.949165
  C      -5.680905     -0.605897      2.802335
  C      -5.013292     -1.261472      3.956479
  O      -5.242518     -2.401086      4.332409
  N      -4.025875     -0.475714      4.600824
  C      -3.226199     -1.040946      5.510091
  C      -5.057012      0.430628      2.107742
  C      -9.458225      9.032977     -0.267599
  C      -8.884461      7.741439      0.262836
  O      -9.380059      6.656119     -0.034546
  C      -7.695194      7.809089      1.168706
  C      -7.203737      9.015514      1.697792
  C      -6.121116      9.005588      2.569682
  C      -5.521096      7.794590      2.913725
  F      -4.481958      7.858979      3.767729
  C      -5.968221      6.564553      2.397783
  C      -5.414104      5.203516      2.697932
  O      -5.938773      4.214902      2.163709
  N      -4.325548      5.156101      3.562104
  C      -3.994183      3.928894      3.915960
  C      -7.061451      6.616376      1.523352
  C     -11.791590      2.803228      0.246905
  C     -10.850095      1.946402      1.058284
  O     -10.725416      0.744463      0.827969
  C     -10.054556      2.593810      2.145974
  C      -9.960643      3.988689      2.285321
  C      -9.144483      4.545700      3.265098
  C      -8.400351      3.702390      4.080071
  F      -7.601143      4.270314      5.014891
  C      -8.479793      2.305825      3.990617
  C      -7.690792      1.363186      4.846734
  O      -8.161438      0.298252      5.235867
  N      -6.354779      1.703280      5.019481
  C      -5.813709      1.900521      6.173048
  C      -9.341074      1.774319      3.029170
  H      -6.526353      3.403891     -0.292393
  H      -4.958020      3.758623     -1.087759
  H      -5.920478      2.324820     -1.567028
  H      -7.412927      1.117403     -0.248122
  H      -8.553723     -0.731416      0.938596
  H      -3.314368     -2.087733      5.831768
  H      -4.069203      0.752184      2.424918
  H      -9.830056      9.660190      0.557456
  H      -8.686603      9.616840     -0.791546
  H     -10.283647      8.809843     -0.951467
  H      -7.666579      9.968138      1.438715
  H      -5.725912      9.926561      2.998966
  H      -4.652698      3.082251      3.580685
  H      -7.426878      5.676603      1.111465
  H     -12.352900      2.166625     -0.444629
  H     -11.227320      3.554274     -0.328695
  H     -12.486054      3.355966      0.896484
  H     -10.500823      4.654936      1.613368
  H      -9.057287      5.624770      3.388865
  H      -6.415018      2.048513      7.087034
  H      -9.442367      0.692101      2.950701
  N      -2.042130      1.308679      3.403768
  N      -1.686091      1.456291      2.178466
  H      -2.395506      1.872966      1.515870
  H      -0.996016      0.797282      1.806791
90
Coordinates from ORCA-job orca E -6724.633239863432
  N      -2.341534     -0.149502      5.937746
  Mo     -3.038902      1.470012      4.893056
  N      -4.468815      1.977863      6.298818
  C      -3.965142      2.853608      7.358220
  C      -2.513074      2.505767      7.670002
  N      -1.662056      2.246983      6.438949
  C      -0.617983      1.211883      6.755576
  C      -1.289776     -0.151429      6.922304
  C      -0.992479      3.494206      5.926183
  C      -2.027640      4.423241      5.315341
  N      -2.973655      3.555505      4.642989
  H      -0.559217     -0.954334      6.738725
  H      -1.700156     -0.296655      7.934693
  H       0.065725      1.187315      5.898039
  H      -0.054272      1.510866      7.652086
  H      -2.540983      5.038434      6.072158
  H      -1.549281      5.118321      4.607284
  H      -0.431114      3.966961      6.746573
  H      -0.283777      3.165558      5.155417
  H      -4.553047      2.720325      8.282586
  H      -4.075736      3.910409      7.065627
  H      -2.496812      1.584198      8.262710
  H      -2.026415      3.296908      8.259349
  C      -5.634017      2.975663     -0.696651
  C      -4.916230      2.174236      0.349400
  O      -3.734064      2.433513      0.620792
  C      -5.646272      1.068624      1.026695
  C      -6.914645      0.629566      0.604465
  C      -7.547027     -0.432108      1.241388
  C      -6.923589     -1.051999      2.321919
  F      -7.563845     -2.057806      2.924239
  C      -5.672367     -0.619924      2.804809
  C      -4.998108     -1.275147      3.954376
  O      -5.216144     -2.418616      4.325198
  N      -4.014705     -0.483998      4.598084
  C      -3.211238     -1.045894      5.505725
  C      -5.061822      0.433027      2.123904
  C      -9.484151      9.012093     -0.262906
  C      -8.906231      7.722854      0.268699
  O      -9.414697      6.637582     -0.006130
  C      -7.700647      7.793204      1.152525
  C      -7.184018      9.004017      1.646824
  C      -6.084865      8.998476      2.497627
  C      -5.493303      7.787400      2.855301
  F      -4.437811      7.857182      3.688525
  C      -5.966923      6.552036      2.375369
  C      -5.423898      5.190284      2.694116
  O      -5.959191      4.197579      2.178408
  N      -4.334387      5.147654      3.556557
  C      -4.001463      3.922396      3.914673
  C      -7.076138      6.599800      1.520989
  C     -11.763329      2.871348      0.238151
  C     -10.839527      1.993133      1.046544
  O     -10.716108      0.795927      0.792890
  C     -10.047927      2.617787      2.150408
  C      -9.958566      4.009856      2.320010
  C      -9.147080      4.547763      3.313862
  C      -8.401168      3.689252      4.110818
  F      -7.601269      4.239253      5.055659
  C      -8.475939      2.294872      3.991297
  C      -7.685255      1.337428      4.829175
  O      -8.149788      0.259473      5.189431
  N      -6.352077      1.680245      5.011768
  C      -5.816954      1.876314      6.168589
  C      -9.334507      1.781550      3.017367
  H      -6.556300      3.402594     -0.278336
  H      -4.981981      3.779870     -1.051612
  H      -5.917163      2.332926     -1.544700
  H      -7.422187      1.115601     -0.228366
  H      -8.539413     -0.762424      0.933882
  H      -3.292626     -2.093633      5.825929
  H      -4.079509      0.764948      2.447700
  H      -9.838691      9.647719      0.563401
  H      -8.720164      9.588633     -0.805858
  H     -10.322808      8.786360     -0.929587
  H      -7.640172      9.956852      1.377036
  H      -5.669956      9.923033      2.899833
  H      -4.655153      3.072554      3.578459
  H      -7.463697      5.656015      1.139247
  H     -12.316059      2.252521     -0.476334
  H     -11.186648      3.632598     -0.311084
  H     -12.466084      3.412587      0.888548
  H     -10.500353      4.688861      1.662287
  H      -9.064668      5.624048      3.462232
  H      -6.422047      2.022635      7.080354
  H      -9.433456      0.701459      2.916251
  N      -2.040193      1.315400      3.404141
  N      -1.683120      1.471186      2.180103
  H      -2.387880      1.900965      1.521091
  H      -0.995238      0.813117      1.802664
90
Coordinates from ORCA-job orca E -6724.633502099154
  N      -2.323029     -0.151381      5.933952
  Mo     -3.043800      1.465221      4.901929
  N      -4.475381      1.947236      6.311261
  C      -3.983145      2.823914      7.375054
  C      -2.526684      2.490632      7.684011
  N      -1.673557      2.250237      6.450437
  C      -0.616002      1.226436      6.759180
  C      -1.269228     -0.147196      6.916481
  C      -1.019657      3.508869      5.945059
  C      -2.066143      4.429763      5.340685
  N      -3.002476      3.554879      4.664768
  H      -0.528471     -0.938861      6.724773
  H      -1.675540     -0.305968      7.928611
  H       0.067766      1.216928      5.901349
  H      -0.055598      1.526304      7.657508
  H      -2.585198      5.035133      6.101517
  H      -1.596951      5.134007      4.635478
  H      -0.462391      3.983049      6.767426
  H      -0.308626      3.192906      5.171211
  H      -4.569429      2.678925      8.298736
  H      -4.106119      3.881079      7.088627
  H      -2.499532      1.564468      8.269386
  H      -2.048426      3.282718      8.278924
  C      -5.670778      2.966868     -0.680572
  C      -4.945579      2.180762      0.371892
  O      -3.768062      2.458580      0.645291
  C      -5.656528      1.057359      1.040212
  C      -6.919073      0.603138      0.616746
  C      -7.532933     -0.474483      1.244563
  C      -6.898382     -1.095104      2.318296
  F      -7.522441     -2.116094      2.911509
  C      -5.653037     -0.647526      2.803550
  C      -4.967304     -1.300458      3.947555
  O      -5.166877     -2.450476      4.308941
  N      -3.994854     -0.499899      4.595789
  C      -3.181850     -1.056806      5.497832
  C      -5.060107      0.420740      2.130860
  C      -9.569870      8.919424     -0.264036
  C      -8.977911      7.641782      0.280182
  O      -9.496847      6.551736      0.046129
  C      -7.744227      7.729479      1.122430
  C      -7.192475      8.952173      1.544956
  C      -6.062735      8.965914      2.354435
  C      -5.476301      7.762124      2.743513
  F      -4.388077      7.851879      3.531234
  C      -5.988141      6.514105      2.339171
  C      -5.454805      5.157279      2.696783
  O      -6.002367      4.153960      2.215490
  N      -4.367460      5.131172      3.560895
  C      -4.026727      3.910373      3.926585
  C      -7.125910      6.543042      1.522263
  C     -11.642826      3.087644      0.209861
  C     -10.749596      2.160519      0.997123
  O     -10.621618      0.978930      0.681344
  C      -9.991279      2.719920      2.157796
  C      -9.912226      4.099813      2.410441
  C      -9.124804      4.580704      3.451664
  C      -8.391507      3.679218      4.210867
  F      -7.603391      4.175946      5.194697
  C      -8.459496      2.294024      4.010706
  C      -7.674619      1.293875      4.803474
  O      -8.133860      0.193587      5.096112
  N      -6.346009      1.632868      5.014847
  C      -5.822387      1.830755      6.175862
  C      -9.295843      1.835960      2.990989
  H      -6.604982      3.375293     -0.270379
  H      -5.031673      3.783675     -1.030168
  H      -5.933486      2.318484     -1.530924
  H      -7.437525      1.090254     -0.208748
  H      -8.520982     -0.816000      0.936698
  H      -3.247517     -2.107323      5.812328
  H      -4.082673      0.765902      2.456535
  H      -9.904316      9.571424      0.558004
  H      -8.821087      9.485751     -0.837988
  H     -10.425494      8.679607     -0.903650
  H      -7.644580      9.899573      1.250551
  H      -5.618908      9.900224      2.699254
  H      -4.670803      3.054149      3.588359
  H      -7.542649      5.589467      1.200035
  H     -12.164280      2.515535     -0.564712
  H     -11.049006      3.885475     -0.263785
  H     -12.373574      3.583073      0.866340
  H     -10.440273      4.815134      1.781275
  H      -9.048998      5.646879      3.664327
  H      -6.432916      1.973875      7.084264
  H      -9.387922      0.764296      2.822714
  N      -2.048544      1.334649      3.407432
  N      -1.701316      1.502907      2.182595
  H      -2.416439      1.923473      1.529806
  H      -1.004316      0.858881      1.797796
90
Coordinates from ORCA-job orca E -6724.633725940469
  N      -2.303230     -0.152869      5.926314
  Mo     -3.052395      1.460177      4.910214
  N      -4.481080      1.914554      6.328091
  C      -3.997006      2.792496      7.394286
  C      -2.535533      2.475298      7.695679
  N      -1.684833      2.253890      6.457031
  C      -0.612698      1.242614      6.755517
  C      -1.246266     -0.141102      6.905428
  C      -1.049046      3.523670      5.955995
  C      -2.108850      4.435985      5.361246
  N      -3.038848      3.554204      4.686174
  H      -0.495221     -0.920821      6.705193
  H      -1.646786     -0.312702      7.917798
  H       0.068979      1.248013      5.895921
  H      -0.053677      1.543950      7.654210
  H      -2.630009      5.032104      6.127926
  H      -1.651526      5.148758      4.656770
  H      -0.493036      3.999654      6.778172
  H      -0.338662      3.220046      5.176764
  H      -4.578292      2.636261      8.319282
  H      -4.133531      3.849456      7.113424
  H      -2.494831      1.544843      8.273536
  H      -2.064087      3.268703      8.294249
  C      -5.722750      2.957521     -0.660479
  C      -4.981017      2.177875      0.385410
  O      -3.808380      2.476877      0.658097
  C      -5.669728      1.037549      1.047797
  C      -6.925835      0.566285      0.624296
  C      -7.520101     -0.525004      1.246606
  C      -6.875380     -1.141021      2.316858
  F      -7.484648     -2.172636      2.906236
  C      -5.635020     -0.678069      2.801282
  C      -4.937459     -1.326704      3.940950
  O      -5.116413     -2.483400      4.292491
  N      -3.975726     -0.516529      4.592980
  C      -3.150900     -1.067813      5.487689
  C      -5.059840      0.402618      2.132703
  C      -9.639746      8.845628     -0.277719
  C      -9.039036      7.576597      0.277088
  O      -9.567816      6.484581      0.075044
  C      -7.786129      7.675512      1.089094
  C      -7.202435      8.904413      1.445842
  C      -6.049581      8.931304      2.221792
  C      -5.473658      7.734146      2.645561
  F      -4.357017      7.836156      3.390757
  C      -6.020066      6.479997      2.310845
  C      -5.499414      5.128647      2.707953
  O      -6.063761      4.117864      2.262619
  N      -4.409269      5.116772      3.568271
  C      -4.059968      3.899395      3.939342
  C      -7.178307      6.495640      1.523153
  C     -11.487547      3.297815      0.176175
  C     -10.639771      2.321633      0.953969
  O     -10.500936      1.158003      0.581284
  C      -9.929984      2.814719      2.174421
  C      -9.867663      4.178212      2.506877
  C      -9.109571      4.603687      3.593444
  C      -8.391491      3.663952      4.319132
  F      -7.624899      4.109130      5.344466
  C      -8.450116      2.291141      4.043586
  C      -7.672209      1.253533      4.794453
  O      -8.129005      0.138288      5.026367
  N      -6.345697      1.583593      5.029938
  C      -5.828253      1.789065      6.190896
  C      -9.255177      1.887549      2.976975
  H      -6.664295      3.345119     -0.246823
  H      -5.099527      3.788985     -1.004260
  H      -5.973739      2.310608     -1.515458
  H      -7.455633      1.050851     -0.195401
  H      -8.501484     -0.882582      0.936700
  H      -3.198777     -2.120962      5.796404
  H      -4.087455      0.761636      2.458167
  H      -9.957260      9.511454      0.540079
  H      -8.903044      9.401923     -0.876379
  H     -10.508649      8.595985     -0.895303
  H      -7.646395      9.846748      1.124171
  H      -5.578609      9.870765      2.512278
  H      -4.695818      3.037722      3.600162
  H      -7.618382      5.536979      1.251709
  H     -11.962425      2.777055     -0.661972
  H     -10.870492      4.125422     -0.207875
  H     -12.256459      3.749281      0.821021
  H     -10.379005      4.925578      1.901828
  H      -9.040995      5.657114      3.864836
  H      -6.440463      1.930193      7.098050
  H      -9.333167      0.827409      2.741743
  N      -2.063773      1.356649      3.407922
  N      -1.728453      1.537214      2.182052
  H      -2.455231      1.946876      1.535560
  H      -1.021280      0.909033      1.789628
90
Coordinates from ORCA-job orca E -6724.633860333751
  N      -2.281263     -0.155069      5.920233
  Mo     -3.054757      1.453917      4.916224
  N      -4.484160      1.885031      6.337588
  C      -4.009512      2.763694      7.407291
  C      -2.544271      2.461639      7.704552
  N      -1.693798      2.257017      6.463132
  C      -0.608779      1.258119      6.755550
  C      -1.224281     -0.134387      6.899066
  C      -1.073810      3.536223      5.965703
  C      -2.144295      4.439733      5.376446
  N      -3.067812      3.551595      4.701443
  H      -0.463080     -0.903016      6.694634
  H      -1.622143     -0.315970      7.910705
  H       0.072636      1.276115      5.895862
  H      -0.053066      1.561915      7.655448
  H      -2.668383      5.028176      6.147145
  H      -1.696104      5.159479      4.673164
  H      -0.520914      4.014870      6.788440
  H      -0.362336      3.243117      5.183563
  H      -4.587838      2.597182      8.332329
  H      -4.157543      3.820294      7.130998
  H      -2.491941      1.528007      8.276328
  H      -2.080325      3.256684      8.306785
  C      -5.751101      2.945417     -0.647346
  C      -4.996033      2.170948      0.393048
  O      -3.826695      2.484916      0.663412
  C      -5.665797      1.015681      1.048095
  C      -6.916304      0.530812      0.623480
  C      -7.496035     -0.569972      1.242500
  C      -6.844116     -1.181861      2.310713
  F      -7.443132     -2.219712      2.899191
  C      -5.607215     -0.707896      2.793580
  C      -4.900674     -1.352542      3.929965
  O      -5.063097     -2.514052      4.274318
  N      -3.950798     -0.532905      4.587496
  C      -3.116929     -1.078774      5.477148
  C      -5.045489      0.382001      2.128339
  C      -9.654849      8.791271     -0.339129
  C      -9.054135      7.527415      0.227405
  O      -9.576236      6.432605      0.021869
  C      -7.804145      7.633299      1.042759
  C      -7.207650      8.864800      1.367533
  C      -6.051829      8.900081      2.138747
  C      -5.486974      7.708161      2.591292
  F      -4.362892      7.817184      3.324381
  C      -6.048464      6.451800      2.292110
  C      -5.537699      5.105637      2.720111
  O      -6.114530      4.090071      2.302171
  N      -4.443141      5.103958      3.574440
  C      -4.085320      3.888664      3.946356
  C      -7.208212      6.458701      1.507153
  C     -11.429601      3.474546      0.204709
  C     -10.566808      2.473415      0.931777
  O     -10.396556      1.336552      0.494583
  C      -9.899595      2.901593      2.200711
  C      -9.876015      4.242040      2.619658
  C      -9.141508      4.616072      3.741512
  C      -8.415790      3.647345      4.419746
  F      -7.673097      4.043694      5.482676
  C      -8.445439      2.292374      4.063668
  C      -7.662723      1.224092      4.766152
  O      -8.109191      0.093987      4.934286
  N      -6.339700      1.550568      5.027483
  C      -5.831732      1.760658      6.190398
  C      -9.219232      1.940232      2.956996
  H      -6.697597      3.316880     -0.230220
  H      -5.140594      3.788067     -0.986758
  H      -5.994448      2.299880     -1.505535
  H      -7.455079      1.013143     -0.191505
  H      -8.471719     -0.941329      0.930760
  H      -3.148622     -2.134393      5.779418
  H      -4.077357      0.752172      2.453504
  H      -9.981152      9.459333      0.473423
  H      -8.917240      9.348278     -0.935794
  H     -10.518237      8.534474     -0.961526
  H      -7.642882      9.802891      1.022453
  H      -5.569453      9.841759      2.401897
  H      -4.712599      3.022259      3.604758
  H      -7.656298      5.497770      1.258765
  H     -11.868292      3.000637     -0.679539
  H     -10.834191      4.349278     -0.101075
  H     -12.227786      3.850687      0.862615
  H     -10.395203      5.013252      2.052085
  H      -9.095364      5.652586      4.076089
  H      -6.449200      1.897391      7.094207
  H      -9.267535      0.895984      2.651755
  N      -2.067245      1.374276      3.410370
  N      -1.737689      1.564542      2.184829
  H      -2.473142      1.961175      1.540230
  H      -1.019813      0.950530      1.789278
90
Coordinates from ORCA-job orca E -6724.633792114038
  N      -2.276087     -0.149773      5.929163
  Mo     -3.057084      1.450726      4.915663
  N      -4.482979      1.892933      6.338370
  C      -4.003625      2.782098      7.397671
  C      -2.537927      2.484015      7.691756
  N      -1.692268      2.267919      6.449628
  C      -0.605950      1.273455      6.750181
  C      -1.220547     -0.117369      6.908908
  C      -1.074119      3.541250      5.935601
  C      -2.145890      4.439571      5.341867
  N      -3.076323      3.547586      4.681223
  H      -0.458426     -0.887417      6.714212
  H      -1.619568     -0.287456      7.921871
  H       0.074572      1.282391      5.889649
  H      -0.049411      1.586805      7.646202
  H      -2.663971      5.037135      6.109765
  H      -1.699904      5.151395      4.629279
  H      -0.517413      4.027739      6.751128
  H      -0.366364      3.239257      5.153536
  H      -4.577860      2.625298      8.326850
  H      -4.151980      3.835541      7.109960
  H      -2.482851      1.556036      8.272091
  H      -2.071961      3.285191      8.284199
  C      -5.767641      2.887803     -0.660140
  C      -4.997349      2.112222      0.368225
  O      -3.827699      2.432253      0.629811
  C      -5.660125      0.960342      1.035457
  C      -6.907403      0.464522      0.613934
  C      -7.483610     -0.630075      1.246889
  C      -6.833023     -1.223708      2.325893
  F      -7.430831     -2.253553      2.929187
  C      -5.598384     -0.739888      2.803767
  C      -4.892867     -1.368896      3.949799
  O      -5.053552     -2.526895      4.307137
  N      -3.946171     -0.540829      4.601919
  C      -3.110271     -1.078258      5.494846
  C      -5.038429      0.342417      2.124316
  C      -9.586464      8.922941     -0.319731
  C      -8.990200      7.638970      0.204679
  O      -9.497653      6.551492     -0.065764
  C      -7.765274      7.715060      1.059471
  C      -7.181163      8.933844      1.446638
  C      -6.048493      8.941974      2.252177
  C      -5.495197      7.734272      2.676273
  F      -4.394501      7.816274      3.447927
  C      -6.043281      6.489997      2.311932
  C      -5.540802      5.131813      2.709934
  O      -6.126466      4.129529      2.272805
  N      -4.438086      5.108164      3.554547
  C      -4.090046      3.887501      3.921916
  C      -7.180345      6.524060      1.496307
  C     -11.507120      3.354641      0.206366
  C     -10.582043      2.401527      0.920151
  O     -10.376338      1.265711      0.494386
  C      -9.912217      2.863513      2.177819
  C      -9.903574      4.210362      2.576755
  C      -9.171473      4.610833      3.692605
  C      -8.441616      3.658011      4.390538
  F      -7.724435      4.072145      5.465057
  C      -8.455449      2.298274      4.052793
  C      -7.674631      1.243297      4.777144
  O      -8.129742      0.121428      4.970603
  N      -6.346496      1.561538      5.033261
  C      -5.833387      1.790302      6.188870
  C      -9.216765      1.922784      2.946171
  H      -6.707870      3.259326     -0.229311
  H      -5.162132      3.730866     -1.007540
  H      -6.024449      2.242609     -1.514643
  H      -7.447295      0.933585     -0.207811
  H      -8.453258     -1.016959      0.933883
  H      -3.137807     -2.131837      5.804745
  H      -4.072013      0.720113      2.444414
  H      -9.931304      9.554485      0.514065
  H      -8.842042      9.508185     -0.879565
  H     -10.435901      8.687546     -0.969268
  H      -7.608750      9.883515      1.124382
  H      -5.576984      9.873842      2.564868
  H      -4.723655      3.025643      3.583786
  H      -7.617522      5.573272      1.195853
  H     -11.944570      2.852768     -0.662535
  H     -10.961975      4.254425     -0.119038
  H     -12.306658      3.696827      0.881168
  H     -10.439919      4.963185      1.999126
  H      -9.136104      5.652446      4.012007
  H      -6.448503      1.941152      7.091793
  H      -9.249946      0.873015      2.654101
  N      -2.070706      1.363092      3.408758
  N      -1.742052      1.541961      2.181798
  H      -2.481065      1.927016      1.533955
  H      -1.021965      0.926643      1.792167
90
Coordinates from ORCA-job orca E -6724.634135881292
  N      -2.264278     -0.143554      5.933111
  Mo     -3.057973      1.448940      4.917233
  N      -4.489600      1.881346      6.336491
  C      -4.019415      2.775922      7.395562
  C      -2.551699      2.488637      7.693475
  N      -1.701189      2.278592      6.452707
  C      -0.606135      1.293511      6.754227
  C      -1.208327     -0.102596      6.912224
  C      -1.093424      3.557144      5.941053
  C      -2.173001      4.445363      5.346897
  N      -3.092555      3.544733      4.682299
  H      -0.439973     -0.866319      6.716743
  H      -1.605339     -0.276643      7.925323
  H       0.074655      1.308367      5.894048
  H      -0.052971      1.611878      7.650611
  H      -2.699084      5.036937      6.113944
  H      -1.732804      5.162377      4.635969
  H      -0.542480      4.047991      6.757855
  H      -0.381627      3.262298      5.159842
  H      -4.594599      2.615351      8.323567
  H      -4.175196      3.828143      7.106902
  H      -2.490880      1.561530      8.274518
  H      -2.093674      3.293653      8.286932
  C      -5.815195      2.862917     -0.635867
  C      -5.034851      2.093034      0.389174
  O      -3.869317      2.425922      0.652857
  C      -5.684220      0.933918      1.057291
  C      -6.924094      0.418787      0.636816
  C      -7.477956     -0.691159      1.263699
  C      -6.810773     -1.282420      2.333803
  F      -7.375919     -2.340603      2.919090
  C      -5.588451     -0.772907      2.816946
  C      -4.869333     -1.393501      3.958150
  O      -5.015006     -2.552727      4.317653
  N      -3.931894     -0.552740      4.607603
  C      -3.089635     -1.080552      5.499668
  C      -5.052261      0.325022      2.144643
  C      -9.626859      8.920407     -0.281969
  C      -9.031986      7.635689      0.242117
  O      -9.573227      6.553222      0.021513
  C      -7.782057      7.707114      1.059459
  C      -7.172701      8.923390      1.415037
  C      -6.020275      8.926956      2.191823
  C      -5.471839      7.717933      2.618559
  F      -4.353718      7.795942      3.364626
  C      -6.045151      6.476040      2.286162
  C      -5.551359      5.117336      2.692152
  O      -6.137894      4.115411      2.256383
  N      -4.455629      5.095637      3.547084
  C      -4.106732      3.877003      3.920682
  C      -7.201978      6.514363      1.498065
  C     -11.429853      3.457046      0.174756
  C     -10.536664      2.475261      0.889453
  O     -10.324945      1.351932      0.434649
  C      -9.873841      2.907864      2.160909
  C      -9.866289      4.244830      2.591331
  C      -9.154119      4.615171      3.729535
  C      -8.432733      3.645618      4.412808
  F      -7.726384      4.032829      5.504961
  C      -8.437267      2.296237      4.037061
  C      -7.661401      1.225323      4.741237
  O      -8.112843      0.095479      4.895054
  N      -6.338794      1.541106      5.018825
  C      -5.837583      1.766074      6.180725
  C      -9.190309      1.947582      2.915547
  H      -6.759954      3.221270     -0.203996
  H      -5.220174      3.714041     -0.981557
  H      -6.063680      2.217170     -1.492495
  H      -7.473803      0.881333     -0.182188
  H      -8.441271     -1.093051      0.949756
  H      -3.106685     -2.133990      5.810843
  H      -4.092619      0.718857      2.466138
  H      -9.930975      9.571393      0.552824
  H      -8.893785      9.483914     -0.877961
  H     -10.503049      8.688659     -0.896287
  H      -7.595957      9.874378      1.090924
  H      -5.528874      9.856505      2.480030
  H      -4.733595      3.011330      3.578520
  H      -7.661424      5.565234      1.225724
  H     -11.854771      2.979489     -0.714015
  H     -10.863879      4.354518     -0.120394
  H     -12.239955      3.797974      0.837390
  H     -10.393567      5.012456      2.025747
  H      -9.129349      5.647354      4.078949
  H      -6.460353      1.916735      7.078890
  H      -9.223629      0.905307      2.600477
  N      -2.073831      1.367579      3.408917
  N      -1.749882      1.556116      2.181461
  H      -2.487811      1.957785      1.541653
  H      -1.035226      0.941015      1.781649
90
Coordinates from ORCA-job orca E -6724.634212859058
  N      -2.263350     -0.141036      5.939702
  Mo     -3.060137      1.445404      4.916612
  N      -4.495479      1.880627      6.331305
  C      -4.029594      2.782557      7.386180
  C      -2.561446      2.499543      7.688194
  N      -1.707428      2.284711      6.450310
  C      -0.610640      1.303458      6.758636
  C      -1.209614     -0.093518      6.920975
  C      -1.101091      3.562151      5.934196
  C      -2.181684      4.445461      5.335311
  N      -3.098525      3.540304      4.672870
  H      -0.438953     -0.856303      6.730553
  H      -1.608621     -0.264329      7.933943
  H       0.071921      1.316424      5.899833
  H      -0.060386      1.627209      7.654884
  H      -2.710126      5.038944      6.099256
  H      -1.742333      5.160836      4.622200
  H      -0.552284      4.057445      6.749795
  H      -0.387524      3.265626      5.155202
  H      -4.605567      2.624864      8.314211
  H      -4.187550      3.832851      7.091973
  H      -2.499716      1.575570      8.274307
  H      -2.106450      3.308589      8.278478
  C      -5.821562      2.835085     -0.634618
  C      -5.042692      2.076377      0.399459
  O      -3.880471      2.417179      0.668203
  C      -5.685751      0.911689      1.064135
  C      -6.919142      0.385447      0.637862
  C      -7.465650     -0.729683      1.262456
  C      -6.797776     -1.315682      2.335016
  F      -7.355727     -2.379066      2.917753
  C      -5.582329     -0.794927      2.823841
  C      -4.862430     -1.408722      3.967742
  O      -5.002238     -2.567237      4.331158
  N      -3.929349     -0.560893      4.614799
  C      -3.085072     -1.082409      5.508571
  C      -5.053994      0.308629      2.154724
  C      -9.655262      8.911381     -0.260911
  C      -9.062617      7.629434      0.272351
  O      -9.605256      6.546134      0.058774
  C      -7.800265      7.701869      1.070092
  C      -7.186032      8.918683      1.415447
  C      -6.023944      8.923294      2.177606
  C      -5.470096      7.714942      2.599413
  F      -4.343113      7.795481      3.331636
  C      -6.046941      6.472125      2.275000
  C      -5.548738      5.112815      2.674726
  O      -6.130175      4.110832      2.232837
  N      -4.456464      5.090265      3.533171
  C      -4.110842      3.871399      3.907725
  C      -7.213976      6.509631      1.501904
  C     -11.389885      3.526241      0.168037
  C     -10.491053      2.537745      0.865074
  O     -10.277210      1.421905      0.393591
  C      -9.844778      2.945175      2.153061
  C      -9.846565      4.272463      2.612217
  C      -9.150117      4.620039      3.766894
  C      -8.436316      3.637676      4.439370
  F      -7.740520      4.003297      5.546188
  C      -8.432979      2.296726      4.035253
  C      -7.659100      1.213667      4.723468
  O      -8.109021      0.080098      4.854685
  N      -6.338409      1.525253      5.009766
  C      -5.842609      1.761592      6.171810
  C      -9.169730      1.970259      2.896386
  H      -6.773431      3.185267     -0.211586
  H      -5.232067      3.690727     -0.978288
  H      -6.056733      2.183762     -1.490824
  H      -7.471031      0.844411     -0.181682
  H      -8.423824     -1.140171      0.944268
  H      -3.098174     -2.134858      5.823233
  H      -4.100185      0.712464      2.481814
  H      -9.948361      9.573434      0.568979
  H      -8.924475      9.464151     -0.869878
  H     -10.537972      8.677442     -0.865009
  H      -7.613123      9.869229      1.095085
  H      -5.528812      9.853303      2.457988
  H      -4.736295      3.006086      3.564231
  H      -7.677974      5.560027      1.238172
  H     -11.810783      3.062397     -0.730075
  H     -10.829598      4.432687     -0.110004
  H     -12.203150      3.849116      0.836086
  H     -10.365532      5.051028      2.053948
  H      -9.131314      5.644943      4.137107
  H      -6.469323      1.921465      7.065621
  H      -9.194804      0.935425      2.558076
  N      -2.075973      1.359711      3.408712
  N      -1.754213      1.546022      2.180066
  H      -2.492736      1.947067      1.540633
  H      -1.040335      0.930028      1.780329
90
Coordinates from ORCA-job orca E -6724.634284793106
  N      -2.256392     -0.136220      5.944224
  Mo     -3.062925      1.442091      4.915535
  N      -4.499782      1.877295      6.328822
  C      -4.036836      2.787313      7.378285
  C      -2.567001      2.512423      7.680429
  N      -1.712304      2.294267      6.443375
  C      -0.611273      1.319623      6.757287
  C      -1.204443     -0.078804      6.926888
  C      -1.111141      3.571148      5.919680
  C      -2.195760      4.447278      5.318214
  N      -3.111494      3.535966      4.662330
  H      -0.430337     -0.839612      6.742378
  H      -1.604606     -0.245223      7.940210
  H       0.071417      1.330977      5.898547
  H      -0.062958      1.650853      7.651955
  H      -2.724542      5.043013      6.080215
  H      -1.760725      5.160766      4.600581
  H      -0.562974      4.072563      6.732013
  H      -0.397506      3.273259      5.141254
  H      -4.610952      2.632148      8.307872
  H      -4.199451      3.835104      7.078123
  H      -2.500511      1.592208      8.272077
  H      -2.115454      3.327014      8.265719
  C      -5.840453      2.804380     -0.629369
  C      -5.051990      2.049832      0.400287
  O      -3.888788      2.393555      0.660616
  C      -5.687195      0.882544      1.068675
  C      -6.918446      0.349091      0.645035
  C      -7.458306     -0.767318      1.273008
  C      -6.786963     -1.347365      2.346506
  F      -7.342180     -2.408837      2.935405
  C      -5.572994     -0.820100      2.832565
  C      -4.850256     -1.426263      3.978880
  O      -4.986994     -2.582690      4.350045
  N      -3.921602     -0.570719      4.622661
  C      -3.073728     -1.083677      5.518095
  C      -5.051061      0.284610      2.159850
  C      -9.648380      8.946014     -0.252403
  C      -9.061459      7.658841      0.274469
  O      -9.610570      6.579432      0.057581
  C      -7.801200      7.721885      1.076091
  C      -7.184537      8.934695      1.430795
  C      -6.024227      8.931076      2.195524
  C      -5.474812      7.718443      2.610779
  F      -4.349020      7.791925      3.345697
  C      -6.053607      6.479162      2.275978
  C      -5.558052      5.115708      2.666180
  O      -6.139945      4.117223      2.217389
  N      -4.465268      5.087210      3.523394
  C      -4.123123      3.866738      3.894768
  C      -7.218907      6.524985      1.500856
  C     -11.368939      3.550306      0.161409
  C     -10.462426      2.561546      0.846977
  O     -10.228081      1.458201      0.356111
  C      -9.825560      2.956412      2.143590
  C      -9.839953      4.276700      2.622180
  C      -9.154084      4.612386      3.786685
  C      -8.442382      3.624027      4.452741
  F      -7.760149      3.976286      5.572744
  C      -8.428058      2.289125      4.029747
  C      -7.656129      1.199211      4.710082
  O      -8.105975      0.064061      4.828446
  N      -6.337382      1.508140      5.005065
  C      -5.846323      1.756282      6.166525
  C      -9.149419      1.975375      2.877482
  H      -6.791902      3.148892     -0.200683
  H      -5.258029      3.663341     -0.976700
  H      -6.077440      2.151347     -1.483786
  H      -7.475436      0.804774     -0.172840
  H      -8.414997     -1.183401      0.957915
  H      -3.079834     -2.134844      5.837232
  H      -4.099844      0.695710      2.485861
  H      -9.932866      9.608380      0.580147
  H      -8.916825      9.494979     -0.863972
  H     -10.535230      8.719187     -0.853149
  H      -7.607807      9.888457      1.114920
  H      -5.527024      9.857869      2.482823
  H      -4.748458      3.002969      3.550577
  H      -7.684251      5.578563      1.228277
  H     -11.779171      3.096407     -0.746699
  H     -10.818613      4.468260     -0.098086
  H     -12.189987      3.851326      0.830193
  H     -10.359154      5.059091      2.069450
  H      -9.143954      5.632359      4.171012
  H      -6.476273      1.923910      7.056448
  H      -9.163763      0.945452      2.523525
  N      -2.081414      1.353634      3.406166
  N      -1.765704      1.532416      2.175017
  H      -2.512785      1.914291      1.534485
  H      -1.045360      0.921498      1.779309
90
Coordinates from ORCA-job orca E -6724.634363629005
  N      -2.249340     -0.127426      5.951247
  Mo     -3.070702      1.436842      4.911637
  N      -4.505051      1.880174      6.326437
  C      -4.040678      2.805207      7.362370
  C      -2.568202      2.540484      7.660914
  N      -1.716862      2.310246      6.423642
  C      -0.610519      1.344557      6.746141
  C      -1.197356     -0.054058      6.932824
  C      -1.122712      3.583021      5.882163
  C      -2.213775      4.448457      5.278146
  N      -3.131813      3.527852      4.637637
  H      -0.420237     -0.814046      6.757749
  H      -1.596908     -0.209704      7.948143
  H       0.069905      1.349505      5.885554
  H      -0.062152      1.689048      7.635680
  H      -2.739626      5.050669      6.037216
  H      -1.786464      5.156296      4.550435
  H      -0.571722      4.095063      6.685997
  H      -0.412238      3.279041      5.103173
  H      -4.608981      2.658573      8.296843
  H      -4.209107      3.848357      7.049926
  H      -2.494606      1.628878      8.265053
  H      -2.118328      3.365105      8.233293
  C      -5.884854      2.736773     -0.623172
  C      -5.081463      1.991560      0.401249
  O      -3.920352      2.347008      0.655573
  C      -5.704143      0.823014      1.079726
  C      -6.927794      0.271254      0.657344
  C      -7.455592     -0.845767      1.294154
  C      -6.780613     -1.408394      2.374508
  F      -7.327104     -2.469131      2.972735
  C      -5.573086     -0.864113      2.858435
  C      -4.845793     -1.452553      4.011362
  O      -4.972058     -2.606144      4.394447
  N      -3.919101     -0.584852      4.642591
  C      -3.063277     -1.083655      5.538511
  C      -5.063631      0.241302      2.177246
  C      -9.630760      9.031096     -0.218446
  C      -9.059793      7.733413      0.299933
  O      -9.614876      6.660946      0.064310
  C      -7.804376      7.776574      1.110300
  C      -7.190779      8.980612      1.498268
  C      -6.036134      8.958673      2.271176
  C      -5.489262      7.736503      2.661024
  F      -4.369162      7.793731      3.406395
  C      -6.063949      6.505403      2.290719
  C      -5.568864      5.132768      2.649812
  O      -6.147806      4.144160      2.176444
  N      -4.478708      5.087507      3.509202
  C      -4.145844      3.862325      3.872099
  C      -7.223454      6.569726      1.508412
  C     -11.315376      3.542313      0.119770
  C     -10.394694      2.565342      0.802399
  O     -10.133561      1.471899      0.302378
  C      -9.778991      2.957596      2.109910
  C      -9.807243      4.274680      2.596911
  C      -9.143914      4.605443      3.775876
  C      -8.444602      3.614410      4.451129
  F      -7.788416      3.959386      5.589651
  C      -8.418333      2.282358      4.019781
  C      -7.658777      1.187835      4.707310
  O      -8.117032      0.055531      4.822149
  N      -6.340096      1.487122      5.008591
  C      -5.851371      1.759930      6.165286
  C      -9.112651      1.974401      2.849384
  H      -6.837976      3.068399     -0.187870
  H      -5.315967      3.603270     -0.973998
  H      -6.119444      2.080403     -1.475722
  H      -7.489765      0.714392     -0.163899
  H      -8.406536     -1.276844      0.981612
  H      -3.059531     -2.131743      5.867654
  H      -4.119649      0.668641      2.503297
  H      -9.906634      9.693250      0.616964
  H      -8.891387      9.573007     -0.827141
  H     -10.519724      8.818953     -0.821435
  H      -7.611614      9.941584      1.201602
  H      -5.541552      9.878367      2.584597
  H      -4.774457      3.003878      3.527068
  H      -7.684655      5.630327      1.206284
  H     -11.715317      3.086584     -0.792151
  H     -10.779745      4.470568     -0.133821
  H     -12.143082      3.825795      0.787801
  H     -10.318101      5.058095      2.037366
  H      -9.143752      5.623304      4.165828
  H      -6.482860      1.946046      7.050102
  H      -9.113566      0.946931      2.487529
  N      -2.097385      1.337577      3.398123
  N      -1.790964      1.505299      2.163091
  H      -2.543804      1.878848      1.523680
  H      -1.070369      0.893699      1.768939
90
Coordinates from ORCA-job orca E -6724.634415098051
  N      -2.245461     -0.120279      5.960061
  Mo     -3.074383      1.431748      4.907392
  N      -4.509829      1.885217      6.319076
  C      -4.046091      2.822140      7.344654
  C      -2.572354      2.564725      7.644039
  N      -1.720948      2.322854      6.409008
  C      -0.611712      1.363874      6.741518
  C      -1.194761     -0.034148      6.941952
  C      -1.130526      3.591336      5.854015
  C      -2.224985      4.448069      5.244699
  N      -3.142753      3.519855      4.613771
  H      -0.415631     -0.794112      6.776003
  H      -1.595310     -0.180144      7.958306
  H       0.068751      1.362529      5.880963
  H      -0.064995      1.719356      7.627688
  H      -2.750899      5.055727      5.999474
  H      -1.801596      5.150963      4.510046
  H      -0.579097      4.112124      6.651934
  H      -0.420765      3.281490      5.076661
  H      -4.612120      2.683175      8.281663
  H      -4.217891      3.861563      7.021890
  H      -2.495105      1.660972      8.259470
  H      -2.124660      3.397639      8.206042
  C      -5.911248      2.676297     -0.623886
  C      -5.100415      1.941325      0.401587
  O      -3.938200      2.299817      0.646269
  C      -5.715913      0.774783      1.090168
  C      -6.936492      0.212319      0.672691
  C      -7.456782     -0.902936      1.318708
  C      -6.777545     -1.453011      2.402859
  F      -7.315712     -2.514085      3.007993
  C      -5.572859     -0.898024      2.881675
  C      -4.840435     -1.473514      4.037588
  O      -4.964285     -2.622671      4.434287
  N      -3.916204     -0.596195      4.659232
  C      -3.057057     -1.083095      5.558157
  C      -5.071702      0.205653      2.191910
  C      -9.638158      9.078767     -0.178760
  C      -9.069183      7.774661      0.325379
  O      -9.625651      6.705548      0.078005
  C      -7.815802      7.807603      1.139434
  C      -7.211584      9.006551      1.556907
  C      -6.060023      8.974353      2.334085
  C      -5.506669      7.747237      2.698424
  F      -4.390796      7.795341      3.451011
  C      -6.071484      6.521233      2.297595
  C      -5.570334      5.143667      2.629048
  O      -6.140209      4.162560      2.130337
  N      -4.485425      5.086554      3.494515
  C      -4.158869      3.857647      3.850303
  C      -7.227807      6.595960      1.511524
  C     -11.258962      3.567064      0.082393
  C     -10.341722      2.587370      0.765771
  O     -10.070597      1.499583      0.258365
  C      -9.742066      2.970175      2.083263
  C      -9.772292      4.284719      2.577044
  C      -9.124099      4.606378      3.766758
  C      -8.436931      3.609357      4.445471
  F      -7.793709      3.945315      5.594276
  C      -8.409006      2.279821      4.007023
  C      -7.659574      1.179315      4.696857
  O      -8.124201      0.049026      4.805332
  N      -6.341171      1.472008      5.003477
  C      -5.855596      1.763666      6.157146
  C      -9.089370      1.980345      2.826052
  H      -6.864819      3.003955     -0.186492
  H      -5.348944      3.544279     -0.981292
  H      -6.145079      2.013620     -1.471800
  H      -7.502452      0.646361     -0.150537
  H      -8.405263     -1.342817      1.010823
  H      -3.047398     -2.128157      5.896738
  H      -4.131569      0.643177      2.515786
  H      -9.908111      9.736015      0.662300
  H      -8.898216      9.621802     -0.785958
  H     -10.529964      8.875028     -0.780436
  H      -7.637626      9.971290      1.280612
  H      -5.573071      9.889792      2.671017
  H      -4.789760      3.003349      3.503657
  H      -7.680693      5.660742      1.184853
  H     -11.655366      3.114712     -0.832786
  H     -10.720910      4.495095     -0.167181
  H     -12.088593      3.850397      0.747815
  H     -10.272133      5.073118      2.014252
  H      -9.125747      5.622198      4.161920
  H      -6.489633      1.963698      7.036903
  H      -9.087715      0.955065      2.458460
  N      -2.104766      1.319802      3.392959
  N      -1.803632      1.476210      2.155149
  H      -2.560177      1.841627      1.514413
  H      -1.082098      0.863242      1.764830
90
Coordinates from ORCA-job orca E -6724.634497440996
  N      -2.243105     -0.109294      5.975687
  Mo     -3.076951      1.424012      4.898629
  N      -4.514473      1.901214      6.302554
  C      -4.049666      2.855074      7.311908
  C      -2.575143      2.604582      7.614325
  N      -1.723190      2.340618      6.384307
  C      -0.612694      1.389358      6.734441
  C      -1.194434     -0.005243      6.957950
  C      -1.134253      3.599637      5.807589
  C      -2.230715      4.445084      5.187744
  N      -3.149076      3.507060      4.570340
  H      -0.414605     -0.767677      6.807358
  H      -1.597188     -0.133520      7.975814
  H       0.068613      1.375054      5.874699
  H      -0.068250      1.761408      7.615116
  H      -2.756721      5.062977      5.934221
  H      -1.810012      5.138481      4.442786
  H      -0.581658      4.133250      6.596193
  H      -0.425503      3.277712      5.034150
  H      -4.613786      2.730507      8.252084
  H      -4.223104      3.888989      6.972766
  H      -2.495840      1.713907      8.248414
  H      -2.128782      3.449364      8.159463
  C      -5.937816      2.577148     -0.632716
  C      -5.119344      1.856327      0.396105
  O      -3.955202      2.217160      0.627821
  C      -5.729906      0.698966      1.104212
  C      -6.949637      0.126600      0.697404
  C      -7.465815     -0.979250      1.362505
  C      -6.783244     -1.509664      2.454369
  F      -7.317408     -2.562493      3.076939
  C      -5.579566     -0.943857      2.922724
  C      -4.843521     -1.497884      4.086287
  O      -4.964068     -2.640197      4.503017
  N      -3.916899     -0.609520      4.688203
  C      -3.054908     -1.079691      5.592664
  C      -5.083382      0.149979      2.214448
  C      -9.656186      9.144101     -0.106020
  C      -9.079894      7.830601      0.364071
  O      -9.622804      6.764133      0.078252
  C      -7.835394      7.850968      1.192330
  C      -7.261049      9.040992      1.673241
  C      -6.119414      8.994915      2.464261
  C      -5.546011      7.763278      2.779030
  F      -4.442096      7.798526      3.550115
  C      -6.080226      6.546611      2.313787
  C      -5.559778      5.164345      2.592954
  O      -6.106297      4.196401      2.045468
  N      -4.485116      5.088170      3.469767
  C      -4.168644      3.852835      3.812032
  C      -7.226740      6.635550      1.514837
  C     -11.179269      3.596556      0.017441
  C     -10.276101      2.610045      0.710468
  O      -9.997934      1.525098      0.200263
  C      -9.696985      2.985044      2.038897
  C      -9.723040      4.300251      2.531420
  C      -9.089269      4.616389      3.730131
  C      -8.418473      3.614309      4.417301
  F      -7.784510      3.945835      5.572305
  C      -8.395414      2.284461      3.980405
  C      -7.661253      1.178630      4.679602
  O      -8.137039      0.053172      4.786604
  N      -6.342125      1.462138      4.990992
  C      -5.859622      1.779271      6.139824
  C      -9.064125      1.989428      2.791272
  H      -6.890718      2.904068     -0.193356
  H      -5.381325      3.443995     -1.001390
  H      -6.172914      1.904400     -1.472360
  H      -7.518643      0.547139     -0.130591
  H      -8.413856     -1.426887      1.064447
  H      -3.040982     -2.119004      5.948452
  H      -4.146062      0.597823      2.532830
  H      -9.933520      9.778842      0.749569
  H      -8.915365      9.705606     -0.695376
  H     -10.543907      8.951298     -0.717241
  H      -7.703519     10.009016      1.437156
  H      -5.656065      9.902816      2.851178
  H      -4.804856      3.006292      3.462494
  H      -7.654917      5.707741      1.137623
  H     -11.574477      3.145402     -0.898837
  H     -10.627925      4.516349     -0.234272
  H     -12.008417      3.895000      0.676327
  H     -10.206393      5.093549      1.960913
  H      -9.087471      5.632581      4.124284
  H      -6.496708      2.000488      7.012059
  H      -9.066832      0.963710      2.425405
  N      -2.111080      1.285049      3.385044
  N      -1.814487      1.419576      2.143726
  H      -2.573188      1.775172      1.498536
  H      -1.093309      0.800510      1.762408
90
Coordinates from ORCA-job orca E -6724.634556767764
  N      -2.238511     -0.099779      5.990431
  Mo     -3.078841      1.414161      4.890297
  N      -4.516446      1.915208      6.287296
  C      -4.049891      2.884157      7.281136
  C      -2.574534      2.639925      7.584783
  N      -1.723651      2.356170      6.358664
  C      -0.610810      1.413474      6.723915
  C      -1.190010      0.022193      6.970702
  C      -1.137728      3.606070      5.760389
  C      -2.236924      4.439906      5.131293
  N      -3.155684      3.492495      4.526837
  H      -0.409282     -0.741756      6.833150
  H      -1.592708     -0.089286      7.990523
  H       0.070331      1.387012      5.864384
  H      -0.067591      1.801682      7.598293
  H      -2.762908      5.067111      5.870051
  H      -1.819141      5.124341      4.376643
  H      -0.583526      4.152328      6.539152
  H      -0.430598      3.272900      4.990150
  H      -4.611662      2.772973      8.224403
  H      -4.225036      3.912898      6.927396
  H      -2.492890      1.761088      8.234959
  H      -2.128709      3.494941      8.114204
  C      -5.964143      2.478404     -0.638271
  C      -5.137836      1.770995      0.393494
  O      -3.973938      2.138204      0.616302
  C      -5.742080      0.621710      1.119442
  C      -6.960301      0.038569      0.722867
  C      -7.472571     -1.056993      1.407688
  C      -6.787594     -1.566104      2.508186
  F      -7.318240     -2.609357      3.149149
  C      -5.584734     -0.989703      2.965014
  C      -4.844419     -1.522445      4.135282
  O      -4.964699     -2.656769      4.573592
  N      -3.915780     -0.623807      4.717861
  C      -3.050978     -1.077359      5.627553
  C      -5.092737      0.093193      2.237694
  C      -9.678865      9.194963     -0.040069
  C      -9.089239      7.873275      0.388563
  O      -9.610051      6.810327      0.052887
  C      -7.858778      7.881096      1.237763
  C      -7.318801      9.059179      1.783969
  C      -6.190914      8.999708      2.593481
  C      -5.596854      7.766784      2.861505
  F      -4.508639      7.788531      3.655404
  C      -6.096338      6.562507      2.330891
  C      -5.555483      5.178917      2.561805
  O      -6.078896      4.224553      1.970048
  N      -4.488679      5.086048      3.446246
  C      -4.179198      3.845082      3.774702
  C      -7.229648      6.665025      1.514898
  C     -11.091563      3.647809     -0.048227
  C     -10.199498      2.655893      0.652003
  O      -9.906402      1.578115      0.134676
  C      -9.648376      3.017767      1.995782
  C      -9.677917      4.330726      2.494045
  C      -9.062526      4.638083      3.704624
  C      -8.405270      3.630317      4.396188
  F      -7.786407      3.954530      5.561261
  C      -8.380908      2.302235      3.954440
  C      -7.662642      1.189374      4.660389
  O      -8.150038      0.068978      4.762015
  N      -6.342227      1.460645      4.978778
  C      -5.861617      1.797267      6.122862
  C      -9.032639      2.015356      2.753694
  H      -6.917253      2.803288     -0.197795
  H      -5.413926      3.345174     -1.016103
  H      -6.198978      1.797003     -1.470998
  H      -7.531477      0.444186     -0.110988
  H      -8.419062     -1.513768      1.118478
  H      -3.032730     -2.110598      6.000462
  H      -4.157511      0.550243      2.549381
  H      -9.975432      9.795683      0.833296
  H      -8.937374      9.785970     -0.599101
  H     -10.556092      9.012832     -0.669430
  H      -7.778450     10.027693      1.585807
  H      -5.754542      9.897730      3.031459
  H      -4.820228      3.005523      3.422760
  H      -7.630108      5.746638      1.087322
  H     -11.476305      3.202188     -0.971547
  H     -10.532599      4.565741     -0.290299
  H     -11.926525      3.949756      0.601339
  H     -10.148064      5.129587      1.920101
  H      -9.062916      5.652312      4.103697
  H      -6.500476      2.037985      6.988422
  H      -9.035032      0.991083      2.383762
  N      -2.117422      1.249679      3.377019
  N      -1.825237      1.362929      2.132735
  H      -2.585211      1.710221      1.483555
  H      -1.104835      0.737845      1.759744
90
Coordinates from ORCA-job orca E -6724.634592763654
  N      -2.240613     -0.096471      5.999272
  Mo     -3.075156      1.411046      4.885984
  N      -4.513078      1.928116      6.276864
  C      -4.044509      2.899025      7.267443
  C      -2.570560      2.651023      7.574315
  N      -1.719137      2.359463      6.350578
  C      -0.608471      1.416891      6.722296
  C      -1.191192      0.028790      6.978116
  C      -1.130380      3.604680      5.745847
  C      -2.226992      4.436583      5.110453
  N      -3.145216      3.488005      4.505739
  H      -0.412710     -0.738150      6.844501
  H      -1.593360     -0.075231      7.998900
  H       0.073373      1.383586      5.863607
  H      -0.065119      1.809561      7.594634
  H      -2.754732      5.067308      5.844854
  H      -1.805915      5.117578      4.354565
  H      -0.576247      4.154412      6.522185
  H      -0.422742      3.266048      4.978389
  H      -4.608219      2.793355      8.210236
  H      -4.216041      3.927169      6.910059
  H      -2.493158      1.774191      8.227622
  H      -2.122611      3.506528      8.101188
  C      -5.947779      2.440779     -0.654743
  C      -5.127294      1.737347      0.384783
  O      -3.963212      2.103390      0.608418
  C      -5.737079      0.596467      1.119142
  C      -6.956862      0.013744      0.725814
  C      -7.475494     -1.072120      1.421469
  C      -6.794995     -1.572105      2.529034
  F      -7.331021     -2.606189      3.180076
  C      -5.590026     -0.996630      2.980903
  C      -4.852401     -1.522413      4.155927
  O      -4.981119     -2.651567      4.605483
  N      -3.918989     -0.624212      4.730562
  C      -3.057687     -1.073580      5.645678
  C      -5.091315      0.076280      2.243252
  C      -9.689027      9.209832     -0.006727
  C      -9.086101      7.885756      0.395216
  O      -9.587966      6.824690      0.026351
  C      -7.865326      7.889098      1.258183
  C      -7.345948      9.061238      1.836403
  C      -6.226686      8.997480      2.657159
  C      -5.620154      7.766171      2.904051
  F      -4.540600      7.783422      3.709729
  C      -6.098701      6.567881      2.341656
  C      -5.544057      5.185968      2.549943
  O      -6.051920      4.237396      1.935306
  N      -4.480573      5.087296      3.437521
  C      -4.170933      3.844233      3.758701
  C      -7.224962      6.674665      1.516338
  C     -11.087951      3.650395     -0.070563
  C     -10.205267      2.656603      0.638980
  O      -9.921876      1.572029      0.131078
  C      -9.653836      3.023119      1.981494
  C      -9.682156      4.338828      2.472213
  C      -9.063036      4.653025      3.679419
  C      -8.403013      3.649198      4.374030
  F      -7.781153      3.980885      5.535035
  C      -8.379923      2.318378      3.939972
  C      -7.662755      1.208795      4.652875
  O      -8.152730      0.090760      4.763386
  N      -6.341068      1.479593      4.968702
  C      -5.858697      1.814567      6.112189
  C      -9.035262      2.025023      2.742880
  H      -6.900336      2.775207     -0.220526
  H      -5.391540      3.301214     -1.038167
  H      -6.184479      1.754055     -1.482489
  H      -7.522851      0.412144     -0.115185
  H      -8.422280     -1.529020      1.133617
  H      -3.043675     -2.103412      6.028015
  H      -4.153431      0.530460      2.551295
  H     -10.007959      9.781426      0.878275
  H      -8.948069      9.827064     -0.537280
  H     -10.554044      9.032477     -0.654081
  H      -7.815674     10.028197      1.655070
  H      -5.806167      9.890734      3.119742
  H      -4.814159      3.007553      3.403927
  H      -7.610276      5.760201      1.066936
  H     -11.475764      3.200434     -0.990378
  H     -10.518903      4.560233     -0.319996
  H     -11.920072      3.968332      0.575068
  H     -10.154931      5.135107      1.897180
  H      -9.063168      5.669093      4.073832
  H      -6.496200      2.057133      6.978380
  H      -9.040437      0.998432      2.378932
  N      -2.113151      1.231305      3.374899
  N      -1.819173      1.332488      2.130109
  H      -2.577256      1.675893      1.476797
  H      -1.099263      0.702990      1.763664
90
Coordinates from ORCA-job orca E -6724.634632307802
  N      -2.238045     -0.088468      6.007545
  Mo     -3.076599      1.408462      4.882990
  N      -4.515979      1.932643      6.268506
  C      -4.050702      2.909991      7.254170
  C      -2.576818      2.665577      7.564138
  N      -1.723299      2.369952      6.342620
  C      -0.609829      1.433470      6.720769
  C      -1.188242      0.045149      6.984998
  C      -1.137958      3.613066      5.730608
  C      -2.236269      4.437907      5.089974
  N      -3.150723      3.484159      4.486698
  H      -0.407775     -0.720387      6.854677
  H      -1.589200     -0.054379      8.006720
  H       0.072845      1.396970      5.862883
  H      -0.068344      1.833419      7.590996
  H      -2.767478      5.070114      5.820504
  H      -1.816195      5.117252      4.332001
  H      -0.585627      4.169086      6.503775
  H      -0.429032      3.272053      4.965345
  H      -4.615546      2.808129      8.196752
  H      -4.223801      3.935962      6.891406
  H      -2.499479      1.790864      8.220233
  H      -2.130762      3.523609      8.088505
  C      -5.962767      2.398707     -0.653297
  C      -5.137179      1.699889      0.385320
  O      -3.973927      2.070836      0.604977
  C      -5.741461      0.559937      1.126005
  C      -6.956393     -0.034047      0.733929
  C      -7.467366     -1.120718      1.434136
  C      -6.785343     -1.609874      2.545660
  F      -7.315302     -2.643914      3.201777
  C      -5.586385     -1.021495      2.997297
  C      -4.848946     -1.534056      4.178480
  O      -4.971108     -2.661360      4.634829
  N      -3.916258     -0.629808      4.744539
  C      -3.053693     -1.069966      5.663144
  C      -5.094202      0.051326      2.254659
  C      -9.694318      9.249174      0.032463
  C      -9.093077      7.919524      0.418351
  O      -9.598341      6.863732      0.038967
  C      -7.869960      7.911002      1.277452
  C      -7.343724      9.077455      1.860734
  C      -6.220864      9.004510      2.675417
  C      -5.617360      7.769468      2.910980
  F      -4.532325      7.779071      3.709341
  C      -6.102640      6.576148      2.343164
  C      -5.548980      5.191320      2.537489
  O      -6.054833      4.248804      1.911674
  N      -4.487197      5.084890      3.425701
  C      -4.178235      3.840295      3.741727
  C      -7.233306      6.692220      1.525046
  C     -11.056780      3.671831     -0.094210
  C     -10.174530      2.677271      0.613537
  O      -9.882668      1.597959      0.099387
  C      -9.633985      3.034653      1.963275
  C      -9.678980      4.343567      2.470171
  C      -9.074036      4.648530      3.687313
  C      -8.414305      3.641179      4.377360
  F      -7.809551      3.962335      5.550849
  C      -8.375160      2.316283      3.926230
  C      -7.658171      1.203671      4.634504
  O      -8.145054      0.083441      4.736630
  N      -6.339548      1.476544      4.958661
  C      -5.861341      1.817908      6.101375
  C      -9.012850      2.033182      2.717502
  H      -6.915087      2.732818     -0.218466
  H      -5.409454      3.259047     -1.041134
  H      -6.200834      1.708994     -1.478167
  H      -7.523289      0.355398     -0.110793
  H      -8.408974     -1.587503      1.145518
  H      -3.036151     -2.096190      6.054798
  H      -4.160507      0.514313      2.562374
  H     -10.013625      9.808420      0.925296
  H      -8.953113      9.873582     -0.489119
  H     -10.559116      9.080948     -0.617595
  H      -7.810287     10.047315      1.687036
  H      -5.794275      9.893373      3.140911
  H      -4.821032      3.005657      3.383325
  H      -7.624420      5.781719      1.072739
  H     -11.433223      3.227802     -1.021598
  H     -10.491396      4.587879     -0.328930
  H     -11.897283      3.978416      0.546212
  H     -10.154366      5.142385      1.901150
  H      -9.087872      5.659332      4.095040
  H      -6.500667      2.064130      6.965257
  H      -9.004358      1.011567      2.339433
  N      -2.116732      1.220204      3.371430
  N      -1.826589      1.312319      2.125149
  H      -2.587873      1.647790      1.471845
  H      -1.105164      0.683023      1.761534
90
Coordinates from ORCA-job orca E -6724.634650155591
  N      -2.240375     -0.085702      6.009255
  Mo     -3.078684      1.409013      4.881780
  N      -4.516538      1.935431      6.266858
  C      -4.051609      2.914512      7.251016
  C      -2.578363      2.668453      7.562012
  N      -1.724888      2.372587      6.340583
  C      -0.611112      1.436911      6.719165
  C      -1.188768      0.048298      6.984900
  C      -1.140377      3.615482      5.727236
  C      -2.238772      4.439372      5.085915
  N      -3.151671      3.485364      4.480667
  H      -0.408313     -0.716932      6.852607
  H      -1.587526     -0.051568      8.007458
  H       0.071376      1.399698      5.861166
  H      -0.069289      1.837776      7.588792
  H      -2.771281      5.070976      5.815969
  H      -1.818320      5.119406      4.328698
  H      -0.588232      4.172752      6.499670
  H      -0.431343      3.274300      4.962125
  H      -4.617146      2.814287      8.193373
  H      -4.224129      3.939950      6.886657
  H      -2.503093      1.792143      8.216230
  H      -2.131224      3.524983      8.087863
  C      -5.966082      2.385525     -0.660441
  C      -5.140280      1.691341      0.380764
  O      -3.978706      2.066756      0.602019
  C      -5.742263      0.550877      1.122486
  C      -6.954462     -0.047771      0.729137
  C      -7.463961     -1.133969      1.431119
  C      -6.783526     -1.618003      2.545867
  F      -7.314042     -2.649608      3.205467
  C      -5.586680     -1.025527      2.997990
  C      -4.851251     -1.534050      4.182573
  O      -4.976907     -2.658698      4.644613
  N      -3.918812     -0.628902      4.747446
  C      -3.057302     -1.067274      5.668229
  C      -5.095666      0.047044      2.253774
  C      -9.703240      9.260285      0.053835
  C      -9.097978      7.929232      0.428937
  O      -9.602492      6.875182      0.043685
  C      -7.872298      7.917271      1.284215
  C      -7.340005      9.082883      1.863447
  C      -6.213469      9.007970      2.672844
  C      -5.612834      7.771377      2.907610
  F      -4.523588      7.779579      3.700375
  C      -6.104480      6.578508      2.343845
  C      -5.551816      5.192769      2.535409
  O      -6.058080      4.250971      1.908754
  N      -4.490795      5.085426      3.423259
  C      -4.180311      3.840961      3.737320
  C      -7.238307      6.696783      1.530564
  C     -11.032213      3.671139     -0.106876
  C     -10.162080      2.673648      0.610747
  O      -9.873615      1.590540      0.102841
  C      -9.624481      3.034213      1.961080
  C      -9.671407      4.343257      2.467261
  C      -9.072518      4.649035      3.687378
  C      -8.419095      3.641157      4.382833
  F      -7.824358      3.960784      5.562181
  C      -8.377999      2.316193      3.931615
  C      -7.664369      1.204826      4.644663
  O      -8.154722      0.086704      4.755693
  N      -6.344447      1.475253      4.963845
  C      -5.862394      1.817682      6.104417
  C      -9.007464      2.033199      2.718908
  H      -6.920289      2.718679     -0.228838
  H      -5.414097      3.246108     -1.049639
  H      -6.201700      1.693222     -1.483896
  H      -7.520306      0.338903     -0.117693
  H      -8.403690     -1.603844      1.141579
  H      -3.040015     -2.092101      6.063370
  H      -4.163935      0.513575      2.562239
  H     -10.026735      9.807768      0.952559
  H      -8.964912      9.894341     -0.459903
  H     -10.566315      9.094645     -0.599157
  H      -7.804124     10.053892      1.689757
  H      -5.781757      9.896330      3.134550
  H      -4.821922      3.006804      3.376349
  H      -7.634035      5.786990      1.080971
  H     -11.398496      3.228369     -1.038979
  H     -10.462128      4.586568     -0.332649
  H     -11.880572      3.978402      0.522987
  H     -10.143553      5.141856      1.895120
  H      -9.087779      5.659961      4.094683
  H      -6.498362      2.065471      6.970327
  H      -8.995420      1.012101      2.339369
  N      -2.120979      1.218876      3.368705
  N      -1.833435      1.308228      2.121663
  H      -2.595978      1.642314      1.469706
  H      -1.111990      0.679240      1.757703
90
Coordinates from ORCA-job orca E -6724.634660030680
  N      -2.242581     -0.081185      6.015586
  Mo     -3.078414      1.408861      4.880037
  N      -4.517983      1.941960      6.260168
  C      -4.054218      2.924541      7.241585
  C      -2.581708      2.678327      7.555966
  N      -1.726327      2.377768      6.337041
  C      -0.613191      1.443584      6.720775
  C      -1.191126      0.055919      6.991016
  C      -1.140889      3.618172      5.719841
  C      -2.238082      4.439694      5.073796
  N      -3.149258      3.483843      4.468893
  H      -0.410771     -0.709824      6.861255
  H      -1.590022     -0.040663      8.013829
  H       0.070289      1.403074      5.863720
  H      -0.072472      1.847844      7.589496
  H      -2.772475      5.073428      5.800650
  H      -1.815983      5.117753      4.315720
  H      -0.589942      4.178531      6.490920
  H      -0.430606      3.274117      4.957163
  H      -4.621388      2.827906      8.183326
  H      -4.225742      3.948620      6.873147
  H      -2.508696      1.803811      8.212895
  H      -2.134535      3.535905      8.080064
  C      -5.968738      2.364474     -0.663016
  C      -5.142077      1.674883      0.380156
  O      -3.980125      2.050299      0.599109
  C      -5.743231      0.536131      1.125239
  C      -6.953373     -0.066435      0.731793
  C      -7.462371     -1.150630      1.437123
  C      -6.783226     -1.628805      2.555150
  F      -7.312812     -2.659428      3.217170
  C      -5.587710     -1.033047      3.006739
  C      -4.853168     -1.536484      4.193973
  O      -4.980607     -2.658158      4.662568
  N      -3.920620     -0.628957      4.755072
  C      -3.059810     -1.063767      5.678228
  C      -5.097805      0.037952      2.259600
  C      -9.708923      9.277646      0.082345
  C      -9.102752      7.944481      0.448599
  O      -9.610948      6.892528      0.062474
  C      -7.872930      7.927834      1.297971
  C      -7.338846      9.089976      1.882417
  C      -6.209627      9.010273      2.687740
  C      -5.608485      7.772272      2.913545
  F      -4.517802      7.775853      3.704539
  C      -6.101532      6.582930      2.343611
  C      -5.548010      5.196199      2.525375
  O      -6.052343      4.258431      1.891422
  N      -4.488421      5.084437      3.414086
  C      -4.179035      3.839390      3.726418
  C      -7.237201      6.706185      1.533781
  C     -11.024489      3.671495     -0.118900
  C     -10.151053      2.675776      0.596877
  O      -9.857093      1.595263      0.086279
  C      -9.617768      3.034868      1.949191
  C      -9.669869      4.342247      2.459197
  C      -9.076455      4.646005      3.682266
  C      -8.423145      3.637838      4.377370
  F      -7.832712      3.954796      5.559737
  C      -8.376656      2.314571      3.922107
  C      -7.662404      1.203902      4.635358
  O      -8.150807      0.084615      4.744788
  N      -6.343441      1.476752      4.955430
  C      -5.863536      1.823506      6.095919
  C      -9.000827      2.033151      2.706323
  H      -6.923340      2.697654     -0.232160
  H      -5.417987      3.224297     -1.055570
  H      -6.204245      1.668947     -1.483828
  H      -7.518395      0.316782     -0.117075
  H      -8.401550     -1.622412      1.148612
  H      -3.043274     -2.086830      6.077922
  H      -4.168239      0.508531      2.568492
  H     -10.029457      9.819509      0.985561
  H      -8.972876      9.915102     -0.430351
  H     -10.574240      9.115334     -0.568513
  H      -7.803856     10.061894      1.716315
  H      -5.776726      9.895794      3.153741
  H      -4.820839      3.005859      3.365224
  H      -7.633434      5.799664      1.078237
  H     -11.385283      3.230959     -1.054228
  H     -10.459409      4.591525     -0.338124
  H     -11.876938      3.970199      0.509536
  H     -10.141090      5.141400      1.886707
  H      -9.095175      5.655896      4.091856
  H      -6.501013      2.073415      6.960015
  H      -8.984653      1.013326      2.323734
  N      -2.120427      1.211382      3.368006
  N      -1.833465      1.295180      2.120361
  H      -2.595916      1.627541      1.467346
  H      -1.112270      0.664573      1.758724
90
Coordinates from ORCA-job orca E -6724.634666849392
  N      -2.243937     -0.080110      6.018464
  Mo     -3.076739      1.408575      4.879094
  N      -4.517000      1.945267      6.256174
  C      -4.053526      2.928025      7.237657
  C      -2.581841      2.679985      7.554243
  N      -1.725505      2.378492      6.336353
  C      -0.613129      1.444265      6.721711
  C      -1.191765      0.057028      6.993105
  C      -1.139200      3.618158      5.718586
  C      -2.235188      4.439293      5.070006
  N      -3.144744      3.483275      4.463184
  H      -0.411853     -0.709067      6.862951
  H      -1.589892     -0.038992      8.016230
  H       0.070807      1.402509      5.865085
  H      -0.072727      1.849152      7.590324
  H      -2.771009      5.073470      5.795433
  H      -1.811266      5.117161      4.312765
  H      -0.589219      4.179462      6.489667
  H      -0.427881      3.273203      4.957267
  H      -4.622316      2.832771      8.178532
  H      -4.223544      3.951874      6.868024
  H      -2.511297      1.804986      8.210827
  H      -2.133902      3.536562      8.079337
  C      -5.971323      2.360597     -0.661224
  C      -5.142888      1.669671      0.379569
  O      -3.980365      2.044034      0.597121
  C      -5.743861      0.531498      1.125798
  C      -6.953627     -0.071881      0.732606
  C      -7.463486     -1.154263      1.439952
  C      -6.785230     -1.629674      2.559643
  F      -7.315342     -2.659083      3.223087
  C      -5.589757     -1.033469      3.010731
  C      -4.856538     -1.534981      4.199472
  O      -4.984834     -2.655676      4.670047
  N      -3.922228     -0.627714      4.758215
  C      -3.062242     -1.062228      5.682242
  C      -5.099147      0.035667      2.261539
  C      -9.717413      9.274380      0.092434
  C      -9.106250      7.941711      0.452287
  O      -9.613033      6.889650      0.064637
  C      -7.875061      7.925649      1.299773
  C      -7.342362      9.087464      1.886122
  C      -6.212743      9.007853      2.691013
  C      -5.610265      7.770172      2.914937
  F      -4.520038      7.773569      3.706695
  C      -6.101883      6.581347      2.342925
  C      -5.547054      5.194951      2.523185
  O      -6.050074      4.257497      1.887823
  N      -4.487409      5.083355      3.411774
  C      -4.175984      3.838428      3.722379
  C      -7.237351      6.704537      1.532981
  C     -11.015139      3.680559     -0.125184
  C     -10.143389      2.683075      0.590467
  O      -9.848476      1.603420      0.078509
  C      -9.614133      3.039510      1.945038
  C      -9.667543      4.346065      2.457084
  C      -9.076958      4.648010      3.681759
  C      -8.423540      3.639330      4.375907
  F      -7.835119      3.954591      5.559671
  C      -8.375415      2.316782      3.918577
  C      -7.661441      1.206140      4.632388
  O      -8.150423      0.087349      4.743552
  N      -6.341944      1.479421      4.950791
  C      -5.862420      1.825888      6.091780
  C      -8.998371      2.036477      2.701889
  H      -6.924971      2.693591     -0.227916
  H      -5.421135      3.220454     -1.054510
  H      -6.209408      1.665884     -1.481982
  H      -7.517246      0.309670     -0.117856
  H      -8.402784     -1.626383      1.152211
  H      -3.047567     -2.084589      6.083793
  H      -4.170129      0.507534      2.570164
  H     -10.041592      9.808507      0.999018
  H      -8.984316      9.918929     -0.415412
  H     -10.581383      9.111743     -0.560140
  H      -7.809177     10.058928      1.722377
  H      -5.780970      9.893110      3.158533
  H      -4.817271      3.004360      3.361194
  H      -7.632071      5.798661      1.074733
  H     -11.368476      3.244888     -1.065607
  H     -10.452433      4.604316     -0.334105
  H     -11.872981      3.971513      0.499602
  H     -10.137983      5.145912      1.884763
  H      -9.096866      5.657253      4.092824
  H      -6.500148      2.074859      6.955882
  H      -8.981961      1.017166      2.317822
  N      -2.118425      1.207788      3.367465
  N      -1.831495      1.289131      2.119700
  H      -2.592884      1.622764      1.466116
  H      -1.110551      0.657747      1.758923
90
Coordinates from ORCA-job orca E -6724.634670446434
  N      -2.244891     -0.077515      6.020619
  Mo     -3.077181      1.408311      4.877151
  N      -4.517380      1.949297      6.252502
  C      -4.053049      2.934144      7.231590
  C      -2.581552      2.685848      7.548756
  N      -1.725283      2.381295      6.331671
  C      -0.613004      1.447890      6.719196
  C      -1.191840      0.061416      6.994040
  C      -1.138941      3.619386      5.710937
  C      -2.234833      4.439114      5.060550
  N      -3.144015      3.482034      4.454739
  H      -0.412214     -0.705140      6.864843
  H      -1.589147     -0.032372      8.017679
  H       0.070774      1.403973      5.862556
  H      -0.072531      1.854914      7.586758
  H      -2.770910      5.074741      5.784538
  H      -1.810566      5.115827      4.302461
  H      -0.588863      4.182513      6.480630
  H      -0.427641      3.272580      4.950418
  H      -4.621837      2.841523      8.172704
  H      -4.222638      3.957058      6.859231
  H      -2.511785      1.812248      8.207301
  H      -2.132973      3.543159      8.072120
  C      -5.979006      2.348600     -0.660138
  C      -5.148666      1.659102      0.379941
  O      -3.986106      2.034075      0.595995
  C      -5.748278      0.521443      1.128407
  C      -6.956949     -0.084708      0.735902
  C      -7.465722     -1.165889      1.445829
  C      -6.787497     -1.637150      2.567291
  F      -7.317057     -2.665121      3.233376
  C      -5.593147     -1.038187      3.017767
  C      -4.860002     -1.536080      4.207966
  O      -4.989497     -2.654642      4.683093
  N      -3.924437     -0.627603      4.763032
  C      -3.064265     -1.059942      5.687771
  C      -5.103739      0.029547      2.265891
  C      -9.720574      9.285897      0.107304
  C      -9.109162      7.952127      0.462562
  O      -9.616046      6.901293      0.071701
  C      -7.877927      7.933509      1.309922
  C      -7.348018      9.092898      1.903542
  C      -6.219145      9.010638      2.709187
  C      -5.614566      7.772818      2.926613
  F      -4.525154      7.774023      3.719529
  C      -6.103045      6.586474      2.346805
  C      -5.545818      5.199865      2.519224
  O      -6.045725      4.265637      1.876840
  N      -4.487047      5.084618      3.408550
  C      -4.176780      3.838675      3.716071
  C      -7.237987      6.712263      1.536570
  C     -10.993648      3.679129     -0.141013
  C     -10.127186      2.680597      0.579809
  O      -9.832315      1.599619      0.070668
  C      -9.604284      3.037508      1.936661
  C      -9.658081      4.344764      2.446965
  C      -9.072563      4.647351      3.673835
  C      -8.423241      3.638698      4.371727
  F      -7.839035      3.954262      5.557425
  C      -8.374754      2.315624      3.916138
  C      -7.663565      1.205751      4.634388
  O      -8.155379      0.088834      4.750473
  N      -6.343146      1.477998      4.950395
  C      -5.862774      1.828718      6.089856
  C      -8.993248      2.034321      2.697397
  H      -6.932833      2.679580     -0.225729
  H      -5.430912      3.209373     -1.054247
  H      -6.216984      1.653291     -1.480430
  H      -7.520127      0.293785     -0.116184
  H      -8.403843     -1.640645      1.158742
  H      -3.049965     -2.081164      6.092256
  H      -4.175993      0.504320      2.574023
  H     -10.046225      9.815672      1.015928
  H      -8.987510      9.933286     -0.396916
  H     -10.583763      9.125272     -0.546815
  H      -7.816540     10.064418      1.745033
  H      -5.789460      9.893997      3.182197
  H      -4.818726      3.005645      3.354523
  H      -7.630686      5.808516      1.072295
  H     -11.340489      3.244899     -1.084509
  H     -10.430088      4.603541     -0.344353
  H     -11.855992      3.968451      0.478388
  H     -10.124908      5.144365      1.871413
  H      -9.093108      5.657147      4.083556
  H      -6.500088      2.080230      6.953476
  H      -8.976568      1.014533      2.314637
  N      -2.120762      1.202553      3.364977
  N      -1.836454      1.279357      2.116434
  H      -2.598915      1.610945      1.462931
  H      -1.115178      0.647791      1.756717
90
Coordinates from ORCA-job orca E -6724.634671486613
  N      -2.244779     -0.077119      6.020693
  Mo     -3.076982      1.408738      4.877367
  N      -4.517375      1.949545      6.252408
  C      -4.052730      2.933890      7.231882
  C      -2.581281      2.685270      7.548951
  N      -1.724976      2.381484      6.331729
  C      -0.612452      1.448116      6.718734
  C      -1.191020      0.061462      6.993367
  C      -1.138888      3.619954      5.711463
  C      -2.234871      4.439585      5.061076
  N      -3.143555      3.482436      4.454692
  H      -0.411350     -0.704922      6.863290
  H      -1.587588     -0.032820      8.017253
  H       0.071153      1.404512      5.861940
  H      -0.071837      1.854970      7.586299
  H      -2.771180      5.074948      5.785118
  H      -1.810463      5.116683      4.303381
  H      -0.589053      4.183001      6.481388
  H      -0.427411      3.273514      4.950943
  H      -4.621579      2.841064      8.172935
  H      -4.222154      3.956954      6.859790
  H      -2.511634      1.811284      8.206983
  H      -2.132616      3.542180      8.072909
  C      -5.982314      2.348413     -0.659248
  C      -5.150860      1.658990      0.380012
  O      -3.988830      2.035362      0.596415
  C      -5.749084      0.520131      1.127829
  C      -6.956571     -0.087896      0.734429
  C      -7.464473     -1.169407      1.444496
  C      -6.786479     -1.639199      2.566724
  F      -7.315441     -2.667300      3.233041
  C      -5.593189     -1.038613      3.017885
  C      -4.860183     -1.535706      4.208472
  O      -4.989744     -2.654002      4.684193
  N      -3.924626     -0.626948      4.763317
  C      -3.064413     -1.059374      5.687906
  C      -5.104737      0.029542      2.265956
  C      -9.719492      9.287260      0.107110
  C      -9.110395      7.953286      0.465480
  O      -9.619694      6.902397      0.077867
  C      -7.878158      7.934563      1.311256
  C      -7.346259      9.094408      1.902205
  C      -6.216219      9.012323      2.706157
  C      -5.612272      7.774323      2.924391
  F      -4.520978      7.775942      3.714650
  C      -6.102814      6.587454      2.347422
  C      -5.546078      5.200632      2.520359
  O      -6.046622      4.266321      1.878638
  N      -4.487281      5.085081      3.409713
  C      -4.176856      3.839055      3.716825
  C      -7.239148      6.712992      1.539086
  C     -10.989681      3.679344     -0.143429
  C     -10.124827      2.680373      0.578817
  O      -9.828912      1.599651      0.069784
  C      -9.604136      3.036806      1.936652
  C      -9.660214      4.343582      2.447938
  C      -9.075938      4.646030      3.675530
  C      -8.426048      3.637564      4.373107
  F      -7.842675      3.952743      5.559222
  C      -8.375903      2.314902      3.916839
  C      -7.663986      1.205480      4.635210
  O      -8.155019      0.088357      4.751178
  N      -6.343393      1.478590      4.950542
  C      -5.862828      1.829057      6.089939
  C      -8.992765      2.033725      2.697328
  H      -6.936928      2.676389     -0.224399
  H      -5.436076      3.211021     -1.051898
  H      -6.218664      1.653896     -1.480679
  H      -7.519518      0.289376     -0.118370
  H      -8.401354     -1.646086      1.156660
  H      -3.050260     -2.080684      6.092196
  H      -4.177918      0.505966      2.574415
  H     -10.044857      9.819217      1.014585
  H      -8.985254      9.932626     -0.397954
  H     -10.582725      9.126614     -0.546949
  H      -7.813930     10.066161      1.742657
  H      -5.784786      9.896084      3.176828
  H      -4.818657      3.005707      3.355586
  H      -7.633621      5.808909      1.077040
  H     -11.331676      3.247056     -1.089564
  H     -10.427591      4.605728     -0.341502
  H     -11.855380      3.964575      0.473304
  H     -10.127867      5.142821      1.872703
  H      -9.098206      5.655512      4.086018
  H      -6.500116      2.079965      6.953767
  H      -8.974685      1.014251      2.313920
  N      -2.121441      1.203023      3.364546
  N      -1.838659      1.279599      2.115700
  H      -2.601541      1.611375      1.462781
  H      -1.117127      0.648695      1.755373
90
Coordinates from ORCA-job orca E -6724.634672620181
  N      -2.244017     -0.076364      6.020762
  Mo     -3.076903      1.408998      4.877420
  N      -4.517679      1.949718      6.251984
  C      -4.052940      2.934256      7.231233
  C      -2.581393      2.685959      7.548252
  N      -1.724932      2.382388      6.331044
  C      -0.611960      1.449483      6.718052
  C      -1.189917      0.062626      6.992974
  C      -1.139321      3.621031      5.710636
  C      -2.235682      4.440081      5.060155
  N      -3.144150      3.482507      4.454036
  H      -0.409984     -0.703465      6.862701
  H      -1.586060     -0.031694      8.017035
  H       0.071597      1.406044      5.861215
  H      -0.071435      1.856688      7.585515
  H      -2.772050      5.075490      5.784101
  H      -1.811545      5.117192      4.302308
  H      -0.589679      4.184329      6.480506
  H      -0.427755      3.274719      4.950142
  H      -4.621698      2.841518      8.172350
  H      -4.222463      3.957264      6.858997
  H      -2.511376      1.812119      8.206438
  H      -2.133062      3.543084      8.072162
  C      -5.986144      2.345599     -0.658287
  C      -5.153515      1.656241      0.380096
  O      -3.991502      2.033166      0.595683
  C      -5.750544      0.516882      1.128157
  C      -6.957190     -0.092925      0.734747
  C      -7.463858     -1.174643      1.445460
  C      -6.785493     -1.642912      2.568134
  F      -7.313314     -2.671268      3.235033
  C      -5.592908     -1.040706      3.019048
  C      -4.859404     -1.536441      4.209816
  O      -4.988287     -2.654491      4.686343
  N      -3.924081     -0.626899      4.763902
  C      -3.063534     -1.058852      5.688322
  C      -5.105796      0.027751      2.266644
  C      -9.717703      9.290360      0.107280
  C      -9.110633      7.955900      0.467234
  O      -9.620985      6.905372      0.079966
  C      -7.878696      7.936261      1.313304
  C      -7.346314      9.095832      1.904417
  C      -6.216166      9.013198      2.708113
  C      -5.612275      7.775022      2.925483
  F      -4.520606      7.775906      3.715193
  C      -6.103314      6.588437      2.348448
  C      -5.546514      5.201574      2.520620
  O      -6.046751      4.267640      1.878156
  N      -4.487800      5.085602      3.410038
  C      -4.177728      3.839381      3.716626
  C      -7.240082      6.714387      1.540778
  C     -10.984811      3.681677     -0.146357
  C     -10.121777      2.681778      0.576757
  O      -9.826175      1.600934      0.067809
  C      -9.602611      3.037143      1.935514
  C      -9.659988      4.343465      2.447827
  C      -9.076748      4.645336      3.676155
  C      -8.426922      3.636574      4.373352
  F      -7.844997      3.950929      5.560385
  C      -8.375814      2.314260      3.916150
  C      -7.663966      1.204629      4.634568
  O      -8.154961      0.087614      4.750604
  N      -6.343418      1.478115      4.950180
  C      -5.863085      1.828916      6.089549
  C      -8.991339      2.033765      2.695842
  H      -6.941128      2.671656     -0.222872
  H      -5.441222      3.209362     -1.050193
  H      -6.221650      1.651526     -1.480352
  H      -7.520474      0.283002     -0.118446
  H      -8.399750     -1.653212      1.157565
  H      -3.049005     -2.080137      6.092676
  H      -4.179638      0.505625      2.574809
  H     -10.044029      9.823180      1.013915
  H      -8.981838      9.934610     -0.396824
  H     -10.580138      9.130399     -0.547993
  H      -7.813684     10.067771      1.745186
  H      -5.784455      9.896691      3.179044
  H      -4.819625      3.006047      3.355701
  H      -7.635247      5.810413      1.079129
  H     -11.322950      3.251409     -1.094779
  H     -10.423623      4.609548     -0.339735
  H     -11.853137      3.963650      0.468291
  H     -10.128130      5.142743      1.873101
  H      -9.100332      5.654413      4.087595
  H      -6.500588      2.080163      6.953138
  H      -8.972362      1.014578      2.311597
  N      -2.122321      1.203135      3.363960
  N      -1.841343      1.278880      2.114701
  H      -2.604979      1.609942      1.462240
  H      -1.119197      0.648887      1.754035
