88
Coordinates from ORCA-job orca E -6669.085803111043
  N      -3.588059      0.278792      4.753129
  Mo     -3.720432      2.385639      4.578805
  N      -5.063042      2.576509      6.211391
  C      -4.394221      3.027715      7.411886
  C      -3.087945      2.248149      7.632554
  N      -2.288002      2.071101      6.397248
  C      -1.781221      0.695166      6.314816
  C      -2.926384     -0.247052      5.931189
  C      -1.186335      3.053077      6.347964
  C      -1.771700      4.438298      6.006949
  N      -2.863329      4.110781      5.139127
  H      -2.521514     -1.250360      5.745999
  H      -3.659981     -0.330528      6.746108
  H      -1.027235      0.652471      5.522388
  H      -1.321227      0.374391      7.258110
  H      -2.114569      4.977053      6.900907
  H      -1.027049      5.067438      5.502986
  H      -0.629298      3.076662      7.292391
  H      -0.505487      2.758647      5.543264
  H      -5.031491      2.898823      8.298187
  H      -4.196294      4.105866      7.313922
  H      -3.356776      1.264954      8.024108
  H      -2.496043      2.758829      8.399949
  C      -4.247470      4.741648     -1.120267
  C      -4.418271      3.745660     -0.022438
  O      -4.303038      4.037597      1.167936
  C      -4.762014      2.352397     -0.387552
  C      -5.396973      1.975619     -1.575153
  C      -5.780156      0.659813     -1.755243
  C      -5.547613     -0.275906     -0.754820
  F      -5.999288     -1.524897     -0.941637
  C      -4.896178      0.067565      0.427126
  C      -4.647264     -0.864271      1.573735
  O      -4.696938     -2.083030      1.509365
  N      -4.391071     -0.113902      2.680005
  C      -3.866918     -0.564400      3.791580
  C      -4.489720      1.387074      0.573618
  C      -7.733799     10.260799     -0.422197
  C      -7.267763      8.918875      0.045159
  O      -7.475516      7.894693     -0.576015
  C      -6.510487      8.869504      1.335703
  C      -6.028972      9.998576      1.999741
  C      -5.325482      9.863532      3.183841
  C      -5.083900      8.601841      3.699560
  F      -4.419772      8.506230      4.867115
  C      -5.547454      7.452231      3.060654
  C      -5.294785      6.079959      3.545009
  O      -6.086579      5.151166      3.335806
  N      -4.118623      5.926017      4.227773
  C      -3.778441      4.703033      4.476618
  C      -6.271261      7.615032      1.885599
  C     -13.789886     -0.758606      4.175085
  C     -12.752158     -0.052959      4.990086
  O     -12.952225      0.337038      6.119866
  C     -11.412684      0.163532      4.347143
  C     -11.008395     -0.472213      3.174719
  C      -9.751285     -0.221870      2.653929
  C      -8.899418      0.650169      3.307138
  F      -7.679178      0.881552      2.730773
  C      -9.260956      1.302693      4.480306
  C      -8.416818      2.249173      5.272751
  O      -8.941749      3.161021      5.908322
  N      -7.077609      2.024886      5.236961
  C      -6.357289      2.509381      6.233320
  C     -10.535695      1.041494      4.974488
  H      -5.225884      4.985774     -1.533378
  H      -3.801353      5.652580     -0.729852
  H      -3.635808      4.325788     -1.916312
  H      -5.615835      2.700836     -2.341640
  H      -6.280882      0.343546     -2.656605
  H      -3.609860     -1.629319      3.906176
  H      -3.946399      1.658019      1.463774
  H      -8.301775     10.755660      0.361160
  H      -6.872211     10.878250     -0.667358
  H      -8.349903     10.140982     -1.309209
  H      -6.196343     10.985485      1.601247
  H      -4.956673     10.725557      3.716953
  H      -4.456833      3.888712      4.005913
  H      -6.648665      6.732740      1.387928
  H     -14.738561     -0.736622      4.704319
  H     -13.490592     -1.794095      4.026464
  H     -13.893672     -0.285460      3.202412
  H     -11.658033     -1.161912      2.662258
  H      -9.413447     -0.693691      1.744290
  H      -6.892378      2.808629      7.150022
  H     -10.848562      1.544218      5.878895
  N      -2.283084      2.206650      3.017110
  H      -1.595451      2.121020      2.269989
88
Coordinates from ORCA-job orca E -6669.128143187745
  N      -3.535100      0.239039      4.833671
  Mo     -3.659723      2.329927      4.657974
  N      -4.994427      2.524452      6.278545
  C      -4.331476      2.976668      7.492468
  C      -3.036916      2.190508      7.714678
  N      -2.231973      2.013214      6.468061
  C      -1.724817      0.626156      6.380081
  C      -2.872411     -0.307330      6.008163
  C      -1.125124      3.000400      6.408703
  C      -1.712053      4.382696      6.073358
  N      -2.808870      4.064332      5.208138
  H      -2.474038     -1.312941      5.814202
  H      -3.600605     -0.392252      6.830918
  H      -0.973743      0.587673      5.581910
  H      -1.257420      0.307428      7.323456
  H      -2.054427      4.923397      6.968198
  H      -0.969505      5.012112      5.562723
  H      -0.563798      3.019895      7.352592
  H      -0.449131      2.701296      5.599638
  H      -4.975594      2.848782      8.374764
  H      -4.124693      4.055009      7.401331
  H      -3.306856      1.202597      8.101239
  H      -2.439164      2.695757      8.484311
  C      -4.362313      4.902336     -1.201181
  C      -4.470197      3.921102     -0.072391
  O      -4.286751      4.251266      1.100930
  C      -4.827702      2.510152     -0.391403
  C      -5.510986      2.113027     -1.550652
  C      -5.898301      0.788988     -1.701637
  C      -5.620142     -0.135184     -0.697255
  F      -6.072806     -1.389521     -0.855294
  C      -4.925428      0.221599      0.463963
  C      -4.643204     -0.723716      1.605513
  O      -4.705070     -1.946219      1.517076
  N      -4.362518     -0.021170      2.757047
  C      -3.836701     -0.560277      3.827278
  C      -4.519295      1.553345      0.574766
  C      -7.787085     10.010379     -0.557237
  C      -7.293401      8.692076     -0.029584
  O      -7.480870      7.637687     -0.619556
  C      -6.540351      8.703660      1.270451
  C      -6.084900      9.873648      1.893036
  C      -5.379938      9.805517      3.088107
  C      -5.112060      8.567954      3.657167
  F      -4.450684      8.543647      4.831298
  C      -5.550047      7.375210      3.062850
  C      -5.276214      6.018335      3.595737
  O      -6.056144      5.078952      3.404101
  N      -4.079781      5.883328      4.288231
  C      -3.730840      4.666802      4.543474
  C      -6.275672      7.474666      1.874638
  C     -13.787305     -0.687204      4.082342
  C     -12.732751     -0.030795      4.931070
  O     -12.930101      0.288751      6.092445
  C     -11.394355      0.226754      4.293329
  C     -11.002125     -0.337186      3.072703
  C      -9.745491     -0.059291      2.550374
  C      -8.882391      0.769329      3.252023
  F      -7.678988      1.039504      2.681651
  C      -9.228048      1.349894      4.473251
  C      -8.362437      2.243432      5.305827
  O      -8.875465      3.125130      5.999970
  N      -7.008043      2.011159      5.257308
  C      -6.311173      2.458225      6.280182
  C     -10.504189      1.063810      4.967407
  H      -5.368903      5.138353     -1.569594
  H      -3.897786      5.826844     -0.850448
  H      -3.790058      4.473808     -2.029423
  H      -5.762714      2.832848     -2.324109
  H      -6.436556      0.457077     -2.585042
  H      -3.598599     -1.636832      3.884362
  H      -3.945493      1.843612      1.444713
  H      -8.374857     10.531997      0.205073
  H      -6.932848     10.643521     -0.823931
  H      -8.397344      9.841262     -1.447172
  H      -6.274354     10.846724      1.450178
  H      -5.030414     10.703504      3.589828
  H      -4.422050      3.847049      4.068104
  H      -6.633523      6.560325      1.407647
  H     -14.735258     -0.697153      4.624982
  H     -13.492078     -1.719867      3.862481
  H     -13.903927     -0.154433      3.133330
  H     -11.666402     -0.995346      2.521160
  H      -9.418138     -0.475166      1.601410
  H      -6.856672      2.751226      7.194533
  H     -10.807539      1.511782      5.910527
  N      -2.310999      2.164152      3.154020
  H      -1.630286      2.080308      2.392337
88
Coordinates from ORCA-job orca E -6669.161146369645
  N      -3.508747      0.200034      4.877118
  Mo     -3.622818      2.273601      4.694294
  N      -4.945031      2.475548      6.309024
  C      -4.287178      2.929149      7.530294
  C      -3.002400      2.135794      7.751316
  N      -2.198495      1.955098      6.494457
  C      -1.694862      0.557916      6.403906
  C      -2.848349     -0.366833      6.043458
  C      -1.086514      2.944063      6.425372
  C      -1.671507      4.324987      6.093061
  N      -2.775304      4.017671      5.230208
  H      -2.459931     -1.375708      5.841290
  H      -3.572037     -0.451466      6.871141
  H      -0.947877      0.521912      5.600741
  H      -1.220688      0.241137      7.345857
  H      -2.010180      4.868438      6.988618
  H      -0.928778      4.951294      5.576702
  H      -0.521412      2.959798      7.367885
  H      -0.416147      2.638522      5.613237
  H      -4.935666      2.804500      8.410461
  H      -4.073794      4.006735      7.441847
  H      -3.271660      1.145174      8.134532
  H      -2.396227      2.635749      8.519377
  C      -4.297940      5.080923     -1.170614
  C      -4.399618      4.098429     -0.035782
  O      -4.176799      4.433566      1.128331
  C      -4.795593      2.689821     -0.343841
  C      -5.506525      2.312291     -1.496077
  C      -5.927497      0.995297     -1.652110
  C      -5.652880      0.058257     -0.657078
  F      -6.133933     -1.185913     -0.819445
  C      -4.933498      0.392035      0.501520
  C      -4.662343     -0.575649      1.622883
  O      -4.750964     -1.797278      1.510653
  N      -4.354342      0.080772      2.808123
  C      -3.835855     -0.547987      3.832063
  C      -4.498424      1.718124      0.614343
  C      -7.875925      9.742383     -0.686239
  C      -7.351999      8.451790     -0.109004
  O      -7.521605      7.372338     -0.667640
  C      -6.597142      8.519769      1.189527
  C      -6.164434      9.723920      1.769736
  C      -5.452561      9.716503      2.966231
  C      -5.156674      8.503497      3.578537
  F      -4.490228      8.537519      4.750005
  C      -5.572127      7.277419      3.029288
  C      -5.272319      5.941078      3.603124
  O      -6.036181      4.988603      3.440525
  N      -4.057392      5.837346      4.301115
  C      -3.700919      4.629533      4.564756
  C      -6.304663      7.317626      1.838091
  C     -13.805076     -0.617129      4.069072
  C     -12.729328     -0.005838      4.932849
  O     -12.913831      0.253039      6.117135
  C     -11.399212      0.282926      4.291740
  C     -11.029838     -0.219834      3.032882
  C      -9.779499      0.078278      2.499112
  C      -8.899216      0.867340      3.230010
  F      -7.713436      1.167623      2.658739
  C      -9.220318      1.385989      4.489453
  C      -8.327689      2.230960      5.341443
  O      -8.819046      3.086967      6.084415
  N      -6.959811      1.990667      5.265154
  C      -6.278761      2.411789      6.301284
  C     -10.491804      1.081846      4.993819
  H      -5.310369      5.341696     -1.516941
  H      -3.804097      5.996284     -0.829061
  H      -3.754891      4.642903     -2.018139
  H      -5.752684      3.044645     -2.264562
  H      -6.487241      0.679755     -2.532115
  H      -3.625191     -1.631951      3.831367
  H      -3.907794      1.994819      1.481885
  H      -8.476605     10.283988      0.057186
  H      -7.035078     10.388744     -0.978395
  H      -8.483825      9.526530     -1.570575
  H      -6.377073     10.678825      1.290425
  H      -5.119621     10.641980      3.435192
  H      -4.406594      3.807230      4.086600
  H      -6.644562      6.377906      1.403449
  H     -14.744960     -0.652167      4.629243
  H     -13.519184     -1.641664      3.788171
  H     -13.939439     -0.037325      3.146060
  H     -11.711166     -0.847086      2.459338
  H      -9.471518     -0.289305      1.520576
  H      -6.823722      2.701050      7.217422
  H     -10.777508      1.482133      5.966443
  N      -2.373134      2.118992      3.269615
  H      -1.701823      2.035783      2.497933
88
Coordinates from ORCA-job orca E -6669.181207647340
  N      -3.475821      0.169038      4.922807
  Mo     -3.581842      2.227645      4.730157
  N      -4.899414      2.431771      6.342978
  C      -4.249499      2.884368      7.570699
  C      -2.970356      2.086930      7.788186
  N      -2.165981      1.908643      6.523357
  C      -1.660804      0.504998      6.430555
  C      -2.818402     -0.415180      6.079039
  C      -1.053601      2.903095      6.448936
  C      -1.639757      4.283147      6.122645
  N      -2.747014      3.986616      5.257332
  H      -2.439256     -1.426543      5.868395
  H      -3.537181     -0.499846      6.911033
  H      -0.916349      0.474314      5.624465
  H      -1.180828      0.193475      7.371732
  H      -1.977912      4.825102      7.019821
  H      -0.896780      4.909455      5.605502
  H      -0.487521      2.914302      7.391158
  H      -0.386107      2.594693      5.635067
  H      -4.902293      2.758556      8.448029
  H      -4.032295      3.961765      7.488269
  H      -3.235494      1.092179      8.164492
  H      -2.355995      2.580516      8.554626
  C      -4.365559      5.228431     -1.150366
  C      -4.419769      4.249625     -0.005580
  O      -4.126669      4.589474      1.140176
  C      -4.850866      2.843221     -0.284260
  C      -5.611332      2.473687     -1.407717
  C      -6.056047      1.161611     -1.549668
  C      -5.753207      0.220988     -0.566606
  F      -6.252858     -1.017642     -0.713606
  C      -4.988198      0.545411      0.568458
  C      -4.695628     -0.433714      1.666836
  O      -4.801511     -1.652582      1.542086
  N      -4.350931      0.183991      2.874215
  C      -3.827395     -0.524325      3.846110
  C      -4.535747      1.867819      0.664881
  C      -7.873471      9.511745     -0.821429
  C      -7.337227      8.247733     -0.193695
  O      -7.487926      7.149339     -0.723820
  C      -6.598932      8.362902      1.109355
  C      -6.188450      9.592521      1.654600
  C      -5.486054      9.635461      2.856985
  C      -5.179289      8.445388      3.509870
  F      -4.522312      8.525805      4.684223
  C      -5.574056      7.195681      2.998609
  C      -5.263597      5.879845      3.612602
  O      -6.012327      4.915992      3.470788
  N      -4.038973      5.805562      4.320733
  C      -3.672535      4.604698      4.591430
  C      -6.296984      7.186185      1.799693
  C     -13.767323     -0.604656      3.999290
  C     -12.682934     -0.039704      4.887253
  O     -12.858297      0.131666      6.090662
  C     -11.366817      0.312436      4.254337
  C     -11.012404     -0.095089      2.955437
  C      -9.774687      0.253863      2.421485
  C      -8.890021      0.999502      3.194411
  F      -7.723630      1.362047      2.630514
  C      -9.196034      1.422153      4.495356
  C      -8.293450      2.214765      5.382132
  O      -8.776998      3.019965      6.183245
  N      -6.912490      1.983191      5.277259
  C      -6.243446      2.369974      6.329713
  C     -10.456538      1.070426      4.998353
  H      -5.392257      5.505193     -1.444153
  H      -3.840250      6.137184     -0.836431
  H      -3.875838      4.783515     -2.028399
  H      -5.875267      3.210234     -2.168285
  H      -6.653143      0.852830     -2.408710
  H      -3.644161     -1.610742      3.789179
  H      -3.914232      2.142365      1.512762
  H      -8.492071     10.072717     -0.105106
  H      -7.039576     10.164346     -1.125962
  H      -8.467265      9.255984     -1.705811
  H      -6.410522     10.529067      1.141234
  H      -5.169060     10.580939      3.299049
  H      -4.390206      3.780010      4.105696
  H      -6.619648      6.228014      1.391148
  H     -14.697359     -0.690922      4.571947
  H     -13.475707     -1.604684      3.640067
  H     -13.926470      0.034439      3.118301
  H     -11.699456     -0.687782      2.350047
  H      -9.480816     -0.038121      1.412316
  H      -6.784117      2.649840      7.250971
  H     -10.731423      1.396620      6.002426
  N      -2.421189      2.092579      3.388126
  H      -1.757472      2.015461      2.609395
88
Coordinates from ORCA-job orca E -6669.190845605271
  N      -3.457104      0.129401      4.997942
  Mo     -3.545884      2.175979      4.760003
  N      -4.841496      2.407134      6.394919
  C      -4.177461      2.865223      7.613267
  C      -2.899861      2.063405      7.812226
  N      -2.115255      1.874905      6.530463
  C      -1.609776      0.465289      6.446978
  C      -2.780352     -0.454230      6.139241
  C      -1.004934      2.873562      6.422652
  C      -1.596918      4.251400      6.100604
  N      -2.718525      3.957314      5.250357
  H      -2.419612     -1.472611      5.928084
  H      -3.476200     -0.521007      6.991735
  H      -0.881365      0.426222      5.626666
  H      -1.109077      0.176051      7.384456
  H      -1.921514      4.798778      6.999633
  H      -0.860887      4.873456      5.568073
  H      -0.423427      2.888646      7.355437
  H      -0.353204      2.553553      5.600280
  H      -4.820010      2.746178      8.499493
  H      -3.953949      3.941005      7.525541
  H      -3.156856      1.068709      8.193935
  H      -2.261482      2.554944      8.560508
  C      -4.500922      5.342595     -0.988249
  C      -4.465342      4.347066      0.143487
  O      -3.996552      4.645166      1.241111
  C      -5.017130      2.974513     -0.088257
  C      -5.903860      2.662892     -1.133631
  C      -6.432988      1.379156     -1.244809
  C      -6.085398      0.408544     -0.307273
  F      -6.658693     -0.800907     -0.421382
  C      -5.203812      0.677996      0.756917
  C      -4.865915     -0.329135      1.807159
  O      -5.022409     -1.540406      1.673011
  N      -4.418157      0.244705      3.009316
  C      -3.864172     -0.526253      3.919171
  C      -4.677760      1.973688      0.823717
  C      -7.826260      9.281095     -0.994169
  C      -7.294691      8.042876     -0.312187
  O      -7.436264      6.927035     -0.807926
  C      -6.575368      8.203856      0.994485
  C      -6.174538      9.454157      1.498921
  C      -5.481989      9.543557      2.704081
  C      -5.178052      8.377954      3.401427
  F      -4.529422      8.501491      4.576383
  C      -5.566489      7.109872      2.934758
  C      -5.258302      5.816964      3.596313
  O      -6.000868      4.846033      3.482518
  N      -4.027030      5.767760      4.305995
  C      -3.649866      4.573083      4.590500
  C      -6.278749      7.054187      1.730769
  C     -13.588590     -0.694394      3.736866
  C     -12.524920     -0.191506      4.686359
  O     -12.699029     -0.192647      5.901879
  C     -11.238547      0.315297      4.104201
  C     -10.881664      0.109296      2.759033
  C      -9.672633      0.593402      2.267459
  C      -8.816409      1.271931      3.129779
  F      -7.686655      1.786178      2.611550
  C      -9.125165      1.491957      4.480545
  C      -8.248237      2.205756      5.453388
  O      -8.754464      2.896918      6.340384
  N      -6.855672      2.021330      5.322363
  C      -6.188468      2.355883      6.393019
  C     -10.359232      1.012273      4.939533
  H      -5.537345      5.692250     -1.137610
  H      -3.879024      6.208560     -0.735158
  H      -4.164303      4.888263     -1.931748
  H      -6.194567      3.422925     -1.861024
  H      -7.125991      1.115076     -2.044952
  H      -3.724932     -1.615022      3.822168
  H      -3.973157      2.210364      1.616657
  H      -8.457202      9.868137     -0.309434
  H      -6.991693      9.928256     -1.310203
  H      -8.405742      8.989664     -1.877211
  H      -6.394855     10.370590      0.949070
  H      -5.170570     10.505233      3.114498
  H      -4.386612      3.741928      4.116280
  H      -6.593669      6.081226      1.352698
  H     -14.504374     -0.908354      4.299231
  H     -13.248403     -1.619611      3.243312
  H     -13.795747      0.044266      2.947850
  H     -11.547866     -0.429747      2.083614
  H      -9.381475      0.462121      1.224097
  H      -6.716834      2.624032      7.324473
  H     -10.637176      1.181922      5.980966
  N      -2.444034      2.038238      3.430086
  H      -1.799527      1.958677      2.634775
88
Coordinates from ORCA-job orca E -6669.197673551559
  N      -3.499269      0.064231      5.118939
  Mo     -3.551339      2.088545      4.754954
  N      -4.798443      2.427054      6.420744
  C      -4.097605      2.927647      7.599877
  C      -2.828203      2.112871      7.792782
  N      -2.086031      1.853980      6.492386
  C      -1.597293      0.431041      6.467550
  C      -2.794362     -0.482655      6.256390
  C      -0.968489      2.835538      6.297236
  C      -1.552734      4.205524      5.935251
  N      -2.704351      3.898335      5.127566
  H      -2.468553     -1.519795      6.081725
  H      -3.454311     -0.487463      7.139027
  H      -0.897805      0.341826      5.626429
  H      -1.065841      0.195494      7.402979
  H      -1.843033      4.795830      6.818689
  H      -0.823744      4.792228      5.354738
  H      -0.358268      2.882395      7.210615
  H      -0.348769      2.463904      5.471732
  H      -4.717441      2.857913      8.507644
  H      -3.856347      3.994344      7.461566
  H      -3.083517      1.137656      8.221799
  H      -2.148553      2.621054      8.492186
  C      -4.317693      5.293042     -0.788272
  C      -4.318286      4.292402      0.337478
  O      -3.738325      4.520471      1.399510
  C      -5.042082      2.996872      0.147726
  C      -6.014624      2.785169     -0.844384
  C      -6.683224      1.565130     -0.922208
  C      -6.383006      0.557560     -0.007487
  F      -7.078232     -0.588452     -0.091869
  C      -5.421167      0.732857      1.006143
  C      -5.114608     -0.299901      2.030086
  O      -5.357185     -1.496388      1.907511
  N      -4.550285      0.233691      3.206678
  C      -3.986891     -0.584000      4.073584
  C      -4.767895      1.967050      1.044447
  C      -8.037950      9.272929     -0.968568
  C      -7.488259      8.019276     -0.331437
  O      -7.686704      6.913105     -0.829751
  C      -6.686591      8.151709      0.927236
  C      -6.237636      9.392750      1.413189
  C      -5.474762      9.465237      2.574746
  C      -5.151334      8.290847      3.247745
  F      -4.437082      8.397372      4.385097
  C      -5.582362      7.031296      2.799448
  C      -5.261042      5.734622      3.449454
  O      -6.019042      4.773176      3.375443
  N      -4.013142      5.686616      4.135368
  C      -3.641786      4.500139      4.466498
  C      -6.363238      6.992415      1.637988
  C     -13.369743     -0.783114      3.427104
  C     -12.343967     -0.319537      4.436951
  O     -12.527666     -0.462816      5.641681
  C     -11.088980      0.324686      3.931749
  C     -10.716268      0.292061      2.576055
  C      -9.538278      0.899204      2.151418
  C      -8.726424      1.526010      3.092253
  F      -7.635724      2.177222      2.645190
  C      -9.050961      1.569628      4.457308
  C      -8.215025      2.222534      5.504513
  O      -8.753617      2.813142      6.441571
  N      -6.814285      2.083575      5.367852
  C      -6.144640      2.400071      6.443152
  C     -10.256080      0.974319      4.848533
  H      -5.313895      5.764340     -0.862224
  H      -3.580350      6.076248     -0.578880
  H      -4.106193      4.812644     -1.754961
  H      -6.261362      3.573963     -1.557140
  H      -7.444652      1.378438     -1.680657
  H      -3.913384     -1.677264      3.972129
  H      -4.004392      2.133973      1.799645
  H      -8.612467      9.867513     -0.241911
  H      -7.214206      9.909606     -1.331135
  H      -8.677082      8.999597     -1.815332
  H      -6.478473     10.315347      0.882823
  H      -5.126300     10.419357      2.972324
  H      -4.416243      3.657057      4.045871
  H      -6.718282      6.027715      1.276106
  H     -14.272080     -1.112408      3.954111
  H     -12.971264     -1.626575      2.839512
  H     -13.620366      0.019629      2.717125
  H     -11.349124     -0.205524      1.839700
  H      -9.240174      0.906714      1.101821
  H      -6.654728      2.690294      7.377741
  H     -10.547209      1.008310      5.899553
  N      -2.501335      1.884576      3.406449
  H      -1.886976      1.768493      2.591240
88
Coordinates from ORCA-job orca E -6669.200417215057
  N      -3.500116      0.072105      5.235176
  Mo     -3.529214      2.083556      4.813917
  N      -4.757371      2.460473      6.501079
  C      -4.044179      2.970359      7.664996
  C      -2.777636      2.148236      7.846043
  N      -2.056442      1.870203      6.534000
  C      -1.566484      0.444344      6.526767
  C      -2.775083     -0.464704      6.359863
  C      -0.940426      2.849135      6.308318
  C      -1.525267      4.216213      5.946192
  N      -2.688075      3.913540      5.149394
  H      -2.471540     -1.510226      6.195365
  H      -3.411035     -0.441682      7.259046
  H      -0.881618      0.340357      5.675874
  H      -1.017470      0.235563      7.457977
  H      -1.802610      4.813432      6.828938
  H      -0.799693      4.795196      5.353813
  H      -0.318312      2.900930      7.213594
  H      -0.334352      2.463128      5.479478
  H      -4.653618      2.913367      8.580916
  H      -3.795881      4.033773      7.514406
  H      -3.028711      1.177315      8.285219
  H      -2.074022      2.654021      8.522946
  C      -4.833239      5.036890     -1.047644
  C      -4.692890      4.130125      0.143830
  O      -3.968260      4.421451      1.096620
  C      -5.455875      2.846881      0.158170
  C      -6.537294      2.575589     -0.695376
  C      -7.220587      1.367016     -0.596650
  C      -6.821867      0.429792      0.352906
  F      -7.524281     -0.711719      0.435480
  C      -5.752805      0.670072      1.236752
  C      -5.341645     -0.294770      2.283361
  O      -5.593771     -1.492617      2.252717
  N      -4.660057      0.273860      3.385603
  C      -4.046541     -0.559765      4.211628
  C      -5.095662      1.892584      1.105011
  C      -7.826919      9.493150     -0.935609
  C      -7.317631      8.213023     -0.320718
  O      -7.527890      7.126897     -0.856191
  C      -6.542799      8.292232      0.955991
  C      -6.079391      9.510804      1.481596
  C      -5.338287      9.538263      2.657206
  C      -5.052869      8.340812      3.305550
  F      -4.358915      8.403643      4.457775
  C      -5.499992      7.102576      2.819596
  C      -5.217081      5.786685      3.449744
  O      -5.985243      4.837929      3.332415
  N      -3.983249      5.706727      4.153051
  C      -3.621976      4.517306      4.492181
  C      -6.258233      7.109157      1.643783
  C     -12.995973     -0.954744      2.992223
  C     -12.041564     -0.512253      4.078009
  O     -12.251021     -0.785516      5.254180
  C     -10.828555      0.272280      3.685822
  C     -10.418004      0.405911      2.348857
  C      -9.281101      1.139856      2.027247
  C      -8.546423      1.726638      3.052887
  F      -7.501677      2.509366      2.712240
  C      -8.910165      1.602876      4.402910
  C      -8.152929      2.209232      5.534022
  O      -8.752663      2.683751      6.497121
  N      -6.745200      2.142707      5.425056
  C      -6.098245      2.438445      6.521799
  C     -10.074953      0.885800      4.691050
  H      -5.823900      5.524487     -1.025058
  H      -4.062603      5.814206     -1.003643
  H      -4.763894      4.478683     -1.991791
  H      -6.854895      3.308098     -1.438197
  H      -8.064892      1.133301     -1.245049
  H      -4.019011     -1.653423      4.110527
  H      -4.254928      2.115619      1.754397
  H      -8.405328     10.081291     -0.207996
  H      -6.984180     10.123531     -1.261131
  H      -8.450631      9.254760     -1.803216
  H      -6.291541     10.449968      0.970489
  H      -4.978295     10.473449      3.085698
  H      -4.418165      3.674146      4.080133
  H      -6.627756      6.162493      1.251760
  H     -13.882377     -1.402334      3.453411
  H     -12.514932     -1.702730      2.342031
  H     -13.290605     -0.111472      2.350540
  H     -10.990984     -0.059505      1.546866
  H      -8.959542      1.278337      0.994955
  H      -6.613683      2.714905      7.457039
  H     -10.396622      0.789686      5.728618
  N      -2.472717      1.870619      3.444569
  H      -1.866568      1.757829      2.622970
88
Coordinates from ORCA-job orca E -6669.203767938303
  N      -3.541856      0.113382      5.146143
  Mo     -3.569004      2.130228      4.766824
  N      -4.866567      2.440833      6.438696
  C      -4.200580      2.935611      7.630847
  C      -2.932053      2.123889      7.828844
  N      -2.169407      1.889653      6.534063
  C      -1.657886      0.469893      6.507126
  C      -2.849808     -0.450742      6.273957
  C      -1.063023      2.892005      6.379937
  C      -1.656043      4.260321      6.047513
  N      -2.782300      3.975392      5.190931
  H      -2.533696     -1.488676      6.087859
  H      -3.514623     -0.457644      7.151730
  H      -0.942500      0.399560      5.678807
  H      -1.137267      0.252324      7.451999
  H      -1.975634      4.820772      6.939708
  H      -0.915248      4.869425      5.506677
  H      -0.476052      2.920631      7.309555
  H      -0.421282      2.540821      5.562939
  H      -4.835166      2.840598      8.526429
  H      -3.967337      4.006931      7.517268
  H      -3.184077      1.138404      8.231378
  H      -2.246987      2.613891      8.535286
  C      -4.690820      5.026212     -1.416513
  C      -4.615105      4.186038     -0.173846
  O      -4.018558      4.565729      0.835449
  C      -5.287706      2.857378     -0.173447
  C      -6.235973      2.471430     -1.132017
  C      -6.842427      1.224245     -1.048787
  C      -6.499709      0.364872     -0.009794
  F      -7.120341     -0.824408      0.046332
  C      -5.567337      0.720696      0.980945
  C      -5.226054     -0.185606      2.099630
  O      -5.392485     -1.395810      2.059544
  N      -4.643120      0.398246      3.255289
  C      -4.061352     -0.467086      4.080834
  C      -4.982227      1.978159      0.862049
  C      -7.428605      9.862986     -0.960572
  C      -6.969080      8.553510     -0.372135
  O      -7.121318      7.498695     -0.983391
  C      -6.315479      8.561222      0.970430
  C      -5.908247      9.747234      1.603868
  C      -5.274175      9.706366      2.839005
  C      -5.040372      8.473540      3.439548
  F      -4.450279      8.470474      4.649352
  C      -5.436620      7.266051      2.845991
  C      -5.204618      5.915125      3.419966
  O      -5.946128      4.972322      3.168288
  N      -4.036260      5.795456      4.207833
  C      -3.687741      4.593857      4.517267
  C      -6.087803      7.341757      1.612135
  C     -13.227710     -1.307851      3.644117
  C     -12.190803     -0.788739      4.612682
  O     -12.288973     -0.998791      5.814711
  C     -11.035339     -0.007610      4.071530
  C     -10.751905      0.064736      2.700338
  C      -9.662333      0.795466      2.241444
  C      -8.845398      1.444057      3.161661
  F      -7.835664      2.206882      2.687129
  C      -9.088792      1.389406      4.541225
  C      -8.264940      2.073293      5.577999
  O      -8.810387      2.559202      6.565201
  N      -6.867902      2.054843      5.374154
  C      -6.201986      2.385592      6.451490
  C     -10.206126      0.669627      4.968964
  H      -5.708939      5.439039     -1.522865
  H      -3.984027      5.858037     -1.333007
  H      -4.484450      4.435511     -2.318228
  H      -6.508543      3.143741     -1.944620
  H      -7.582744      0.899415     -1.778188
  H      -4.026356     -1.552788      3.925722
  H      -4.246890      2.298591      1.591327
  H      -8.074952     10.409871     -0.260165
  H      -6.565818     10.512486     -1.171703
  H      -7.967157      9.669992     -1.892874
  H      -6.079479     10.712807      1.130967
  H      -4.958463     10.613899      3.350777
  H      -4.465718      3.758842      4.036059
  H      -6.417284      6.419958      1.135438
  H     -14.057512     -1.743552      4.208249
  H     -12.791443     -2.081588      2.994559
  H     -13.597896     -0.509328      2.986399
  H     -11.386248     -0.448436      1.979554
  H      -9.441737      0.882771      1.181168
  H      -6.713177      2.627569      7.398012
  H     -10.432722      0.625114      6.033964
  N      -2.418490      1.987252      3.419645
  H      -1.774288      1.928009      2.622842
88
Coordinates from ORCA-job orca E -6669.210967832799
  N      -3.595397      0.027730      5.126118
  Mo     -3.601970      2.024445      4.687347
  N      -4.858858      2.381174      6.376219
  C      -4.161408      2.891001      7.547196
  C      -2.897062      2.071921      7.736580
  N      -2.169868      1.807551      6.428307
  C      -1.664937      0.383367      6.415341
  C      -2.868370     -0.535386      6.233543
  C      -1.060868      2.800356      6.231864
  C      -1.657755      4.166784      5.896404
  N      -2.803152      3.873498      5.068255
  H      -2.567095     -1.578239      6.050573
  H      -3.504833     -0.525794      7.132923
  H      -0.975870      0.293322      5.566426
  H      -1.117541      0.179969      7.348520
  H      -1.955870      4.738803      6.788579
  H      -0.926802      4.767983      5.333182
  H      -0.448080      2.839624      7.144443
  H      -0.442402      2.436265      5.402489
  H      -4.777722      2.815911      8.457106
  H      -3.923024      3.958459      7.410644
  H      -3.152904      1.097128      8.163753
  H      -2.192079      2.567178      8.419596
  C      -4.098418      5.529955     -0.778505
  C      -4.115794      4.533288      0.348810
  O      -3.431540      4.691681      1.360705
  C      -4.991210      3.327469      0.225976
  C      -5.995219      3.200643     -0.747736
  C      -6.783515      2.054787     -0.796520
  C      -6.567038      1.034500      0.125019
  F      -7.357316     -0.048901      0.052704
  C      -5.586740      1.130033      1.131341
  C      -5.366029      0.053173      2.123755
  O      -5.696184     -1.114200      1.950040
  N      -4.716106      0.445966      3.324481
  C      -4.199253     -0.510418      4.085772
  C      -4.818080      2.295514      1.149455
  C      -7.578266      9.335254     -1.320613
  C      -7.082894      8.082447     -0.640527
  O      -7.201458      6.981657     -1.175621
  C      -6.432277      8.203080      0.700738
  C      -6.058197      9.439619      1.256420
  C      -5.421202      9.496636      2.492230
  C      -5.150655      8.311797      3.171282
  F      -4.557833      8.405812      4.377501
  C      -5.515155      7.056722      2.654748
  C      -5.249505      5.744161      3.298980
  O      -5.963049      4.770549      3.088584
  N      -4.070994      5.679496      4.075613
  C      -3.720095      4.486645      4.399292
  C      -6.170769      7.035511      1.420163
  C     -13.270917     -1.419016      3.768336
  C     -12.194848     -0.926968      4.709311
  O     -12.214379     -1.217300      5.901228
  C     -11.097107     -0.073007      4.153826
  C     -10.903116      0.104045      2.774638
  C      -9.864362      0.900195      2.303061
  C      -9.007432      1.507952      3.215480
  F      -8.053238      2.331671      2.734552
  C      -9.159643      1.349692      4.601081
  C      -8.291702      1.986853      5.634675
  O      -8.797608      2.418613      6.669775
  N      -6.903023      1.996393      5.370021
  C      -6.199066      2.335410      6.420245
  C     -10.230336      0.567309      5.044944
  H      -5.041781      6.102815     -0.783094
  H      -3.268988      6.229711     -0.630682
  H      -4.013708      5.034895     -1.755889
  H      -6.168868      3.997395     -1.471700
  H      -7.569507      1.932982     -1.542138
  H      -4.240506     -1.589812      3.886238
  H      -4.038766      2.414967      1.898357
  H      -8.243758      9.911313     -0.660656
  H      -6.732684      9.993558     -1.575704
  H      -8.107976      9.061770     -2.238852
  H      -6.256748     10.368672      0.721798
  H      -5.130368     10.445147      2.943890
  H      -4.507431      3.651773      3.947407
  H      -6.474383      6.074878      1.004170
  H     -14.052487     -1.919820      4.348989
  H     -12.848720     -2.134099      3.044386
  H     -13.704991     -0.592117      3.187264
  H     -11.568749     -0.377036      2.057691
  H      -9.715875      1.070308      1.238441
  H      -6.683768      2.583459      7.379464
  H     -10.387694      0.442405      6.117012
  N      -2.482326      1.855489      3.359074
  H      -1.845407      1.787096      2.557306
88
Coordinates from ORCA-job orca E -6669.215341705288
  N      -3.613142      0.058368      5.205499
  Mo     -3.582540      2.041884      4.717645
  N      -4.840006      2.434512      6.401528
  C      -4.139018      2.951315      7.568349
  C      -2.883494      2.120795      7.769568
  N      -2.160709      1.834861      6.461711
  C      -1.661264      0.408284      6.464951
  C      -2.873202     -0.501325      6.305894
  C      -1.044137      2.818630      6.254436
  C      -1.635010      4.186036      5.917896
  N      -2.781919      3.897237      5.089242
  H      -2.587819     -1.549794      6.130046
  H      -3.496345     -0.473970      7.214386
  H      -0.978450      0.303044      5.612626
  H      -1.108824      0.217207      7.397640
  H      -1.930314      4.760656      6.809225
  H      -0.900947      4.783561      5.354417
  H      -0.426940      2.857821      7.164129
  H      -0.431764      2.445859      5.424290
  H      -4.758372      2.891545      8.477388
  H      -3.889343      4.014637      7.421896
  H      -3.150721      1.153290      8.206736
  H      -2.170480      2.613768      8.445859
  C      -4.096084      5.141000     -1.206846
  C      -4.150842      4.288115      0.032590
  O      -3.474805      4.551828      1.026968
  C      -5.053016      3.095898      0.044626
  C      -6.052116      2.878526     -0.918242
  C      -6.864774      1.751113     -0.843533
  C      -6.669427      0.834344      0.184402
  F      -7.472537     -0.241038      0.219765
  C      -5.689031      1.019999      1.180340
  C      -5.476677      0.026255      2.256460
  O      -5.823719     -1.145806      2.169686
  N      -4.787463      0.470648      3.421263
  C      -4.269628     -0.478948      4.194771
  C      -4.904795      2.171132      1.080665
  C      -7.651633      9.586514     -1.097576
  C      -7.114689      8.309615     -0.498208
  O      -7.206805      7.239702     -1.098378
  C      -6.455367      8.366214      0.842939
  C      -6.110645      9.576246      1.471730
  C      -5.464277      9.574291      2.704263
  C      -5.155351      8.357455      3.306460
  F      -4.555853      8.393183      4.512500
  C      -5.487333      7.126784      2.714529
  C      -5.184883      5.784413      3.277397
  O      -5.870329      4.804971      3.003421
  N      -4.027655      5.712785      4.084403
  C      -3.689591      4.516791      4.413784
  C      -6.154626      7.163964      1.486576
  C     -13.156297     -1.435106      3.603574
  C     -12.104598     -0.949791      4.575410
  O     -12.130355     -1.285188      5.755896
  C     -11.023761     -0.047287      4.065634
  C     -10.824862      0.193133      2.695792
  C      -9.801043      1.031505      2.265913
  C      -8.964979      1.618363      3.210704
  F      -8.023174      2.478294      2.773612
  C      -9.123462      1.400467      4.587422
  C      -8.278154      2.020907      5.650814
  O      -8.803721      2.413008      6.692744
  N      -6.886412      2.056391      5.393080
  C      -6.182053      2.395759      6.443804
  C     -10.178714      0.575524      4.990403
  H      -5.026908      5.724672     -1.301229
  H      -3.254475      5.837945     -1.130071
  H      -4.005752      4.529581     -2.115916
  H      -6.206998      3.593635     -1.727201
  H      -7.650297      1.562203     -1.575921
  H      -4.353719     -1.559815      4.020769
  H      -4.125644      2.361344      1.815260
  H      -8.327727     10.102470     -0.399177
  H      -6.827567     10.284112     -1.317994
  H      -8.181247      9.353604     -2.027320
  H      -6.340900     10.530957      0.997596
  H      -5.196463     10.500884      3.212882
  H      -4.483835      3.689072      3.959036
  H      -6.439869      6.222865      1.016335
  H     -13.929867     -1.979065      4.155950
  H     -12.706509     -2.110147      2.857532
  H     -13.607448     -0.599015      3.048600
  H     -11.474676     -0.272225      1.953774
  H      -9.649026      1.250238      1.209311
  H      -6.666032      2.649320      7.402106
  H     -10.341443      0.402719      6.055211
  N      -2.451691      1.862160      3.424629
  H      -1.802539      1.795805      2.632363
88
Coordinates from ORCA-job orca E -6669.219926451256
  N      -3.607151      0.037488      5.211480
  Mo     -3.580961      2.012091      4.694155
  N      -4.851030      2.403166      6.383213
  C      -4.154381      2.929483      7.546334
  C      -2.891523      2.109930      7.749083
  N      -2.168889      1.828591      6.439830
  C      -1.646235      0.408516      6.444912
  C      -2.844979     -0.521975      6.294729
  C      -1.066223      2.829494      6.230189
  C      -1.678758      4.189913      5.904613
  N      -2.821987      3.890887      5.072106
  H      -2.550202     -1.565658      6.108115
  H      -3.455970     -0.507339      7.211542
  H      -0.967295      0.313531      5.588525
  H      -1.084456      0.232467      7.374487
  H      -1.982284      4.752766      6.800487
  H      -0.953350      4.803570      5.347215
  H      -0.444438      2.872504      7.136697
  H      -0.453374      2.468324      5.395426
  H      -4.773638      2.863913      8.455216
  H      -3.915058      3.994593      7.399234
  H      -3.151262      1.141238      8.187336
  H      -2.178217      2.607260      8.421447
  C      -4.112457      5.208109     -1.149290
  C      -4.131510      4.334455      0.075315
  O      -3.381136      4.541331      1.029825
  C      -5.090805      3.190378      0.121717
  C      -6.132833      3.023266     -0.803637
  C      -6.990249      1.932164     -0.703579
  C      -6.796428      1.001912      0.311560
  F      -7.639738     -0.040544      0.368634
  C      -5.775474      1.142610      1.274327
  C      -5.561403      0.128322      2.328374
  O      -5.959208     -1.025715      2.245277
  N      -4.819710      0.521370      3.480053
  C      -4.310598     -0.466431      4.216828
  C      -4.947831      2.258030      1.150091
  C      -7.441706      9.602105     -1.254053
  C      -6.938117      8.323311     -0.632681
  O      -6.995408      7.256660     -1.242360
  C      -6.352885      8.373442      0.742036
  C      -6.037594      9.579364      1.392453
  C      -5.450780      9.569736      2.653659
  C      -5.172834      8.349916      3.264158
  F      -4.627526      8.378791      4.495247
  C      -5.481065      7.123296      2.653575
  C      -5.204080      5.778109      3.222813
  O      -5.876466      4.800800      2.903295
  N      -4.075876      5.701240      4.066322
  C      -3.729824      4.503124      4.393378
  C      -6.089191      7.168038      1.395898
  C     -13.099507     -1.612150      3.613247
  C     -12.038183     -1.136461      4.578515
  O     -12.012544     -1.536439      5.737800
  C     -11.011818     -0.163060      4.088505
  C     -10.873788      0.169590      2.731081
  C      -9.897176      1.070590      2.319733
  C      -9.047373      1.628037      3.269465
  F      -8.146058      2.542691      2.853145
  C      -9.149015      1.322453      4.634026
  C      -8.294153      1.917849      5.704850
  O      -8.803603      2.236049      6.779063
  N      -6.914681      2.003787      5.405529
  C      -6.189680      2.345293      6.442281
  C     -10.157240      0.434812      5.020663
  H      -5.021288      5.832482     -1.178728
  H      -3.236094      5.864057     -1.112607
  H      -4.104954      4.611718     -2.072139
  H      -6.285888      3.748936     -1.602832
  H      -7.809542      1.781746     -1.406412
  H      -4.444868     -1.537756      4.023202
  H      -4.136420      2.416580      1.854671
  H      -8.155380     10.113969     -0.591741
  H      -6.607791     10.301284     -1.424485
  H      -7.918449      9.373686     -2.212670
  H      -6.241498     10.536216      0.911790
  H      -5.204253     10.492751      3.178128
  H      -4.513587      3.672598      3.926959
  H      -6.354371      6.229990      0.908805
  H     -13.830541     -2.219216      4.157003
  H     -12.646665     -2.223421      2.816596
  H     -13.603403     -0.767623      3.120958
  H     -11.533502     -0.272934      1.984759
  H      -9.793194      1.359503      1.274657
  H      -6.659738      2.586173      7.411149
  H     -10.275846      0.192467      6.077301
  N      -2.400228      1.855144      3.408107
  H      -1.734219      1.820178      2.627463
88
Coordinates from ORCA-job orca E -6669.222423646323
  N      -3.566810     -0.009029      5.211710
  Mo     -3.542263      1.952010      4.649349
  N      -4.834873      2.356505      6.321364
  C      -4.146490      2.900584      7.483320
  C      -2.875550      2.096834      7.705397
  N      -2.143467      1.809855      6.404444
  C      -1.599743      0.397877      6.423969
  C      -2.782031     -0.558215      6.285657
  C      -1.052515      2.824504      6.187892
  C      -1.685073      4.174555      5.851559
  N      -2.822247      3.850409      5.019445
  H      -2.467607     -1.595291      6.096061
  H      -3.385131     -0.557663      7.208425
  H      -0.923693      0.305448      5.564836
  H      -1.031889      0.237758      7.352600
  H      -1.999948      4.736412      6.743991
  H      -0.968191      4.798793      5.294684
  H      -0.428085      2.882707      7.091753
  H      -0.436702      2.467919      5.353409
  H      -4.771284      2.835954      8.388294
  H      -3.919631      3.966721      7.328212
  H      -3.132832      1.131430      8.153231
  H      -2.173750      2.608095      8.379285
  C      -3.882715      5.333852     -0.927627
  C      -3.931669      4.409384      0.259444
  O      -3.147597      4.528103      1.202046
  C      -4.965836      3.329450      0.283241
  C      -6.030696      3.264420     -0.628809
  C      -6.957266      2.227952     -0.552988
  C      -6.810013      1.249403      0.423737
  F      -7.714314      0.258959      0.451682
  C      -5.768473      1.289941      1.376030
  C      -5.596936      0.219736      2.383768
  O      -6.068110     -0.904015      2.271493
  N      -4.803151      0.527779      3.525585
  C      -4.317725     -0.491609      4.239800
  C      -4.869505      2.352595      1.276130
  C      -7.561192      9.428140     -1.352869
  C      -7.023004      8.167141     -0.724109
  O      -7.059326      7.092233     -1.321654
  C      -6.428592      8.245218      0.646789
  C      -6.133221      9.462520      1.285890
  C      -5.535360      9.474141      2.542774
  C      -5.225896      8.265337      3.160646
  F      -4.669733      8.315398      4.386250
  C      -5.514083      7.027846      2.560898
  C      -5.205524      5.689931      3.130843
  O      -5.866902      4.701490      2.815198
  N      -4.090392      5.640449      3.992056
  C      -3.733559      4.445990      4.327593
  C      -6.134734      7.051122      1.308291
  C     -13.171380     -1.580760      3.608834
  C     -12.082196     -1.149495      4.564118
  O     -12.022023     -1.602786      5.703294
  C     -11.069746     -0.153635      4.088637
  C     -10.978020      0.250707      2.745954
  C     -10.009935      1.167681      2.348769
  C      -9.123728      1.669405      3.296404
  F      -8.221586      2.589766      2.893292
  C      -9.181708      1.296830      4.646351
  C      -8.290694      1.838899      5.717660
  O      -8.770720      2.121320      6.816414
  N      -6.923273      1.933358      5.378452
  C      -6.175000      2.286579      6.392468
  C     -10.180728      0.392636      5.020905
  H      -4.756673      6.009246     -0.915827
  H      -2.968609      5.935905     -0.881930
  H      -3.924686      4.777345     -1.874817
  H      -6.149623      4.028730     -1.397837
  H      -7.795389      2.157521     -1.246647
  H      -4.509777     -1.553463      4.041553
  H      -4.035645      2.431817      1.968453
  H      -8.281733      9.928174     -0.688394
  H      -6.744035     10.144273     -1.535721
  H      -8.040025      9.180891     -2.306169
  H      -6.361613     10.411873      0.800268
  H      -5.303934     10.406570      3.058338
  H      -4.496075      3.610555      3.862030
  H      -6.388064      6.103647      0.832608
  H     -13.886025     -2.215196      4.143759
  H     -12.740752     -2.152046      2.770743
  H     -13.690533     -0.713866      3.173876
  H     -11.665267     -0.149158      1.999813
  H      -9.938239      1.508595      1.316252
  H      -6.634341      2.536846      7.365252
  H     -10.265050      0.096997      6.067476
  N      -2.332081      1.796292      3.401188
  H      -1.646694      1.784381      2.636611
88
Coordinates from ORCA-job orca E -6669.225365015899
  N      -3.518524      0.007629      5.216315
  Mo     -3.506691      1.975883      4.661352
  N      -4.818343      2.344864      6.327302
  C      -4.136163      2.880005      7.499158
  C      -2.850435      2.094159      7.714913
  N      -2.109352      1.837958      6.414814
  C      -1.537902      0.439471      6.410903
  C      -2.697042     -0.544002      6.264088
  C      -1.035051      2.873920      6.212065
  C      -1.691856      4.218205      5.898218
  N      -2.826075      3.883261      5.066924
  H      -2.354180     -1.565600      6.043686
  H      -3.285428     -0.586278      7.195814
  H      -0.866732      0.373450      5.545521
  H      -0.960795      0.273988      7.332784
  H      -2.015040      4.757483      6.801417
  H      -0.988950      4.867226      5.352134
  H      -0.404510      2.928158      7.111875
  H      -0.419306      2.543436      5.367000
  H      -4.761995      2.789964      8.400915
  H      -3.928390      3.952153      7.362030
  H      -3.097949      1.119563      8.148679
  H      -2.162930      2.607086      8.402034
  C      -4.031685      5.279340     -0.987052
  C      -4.026726      4.341557      0.190983
  O      -3.223053      4.473997      1.115295
  C      -5.039709      3.241775      0.235287
  C      -6.116405      3.149530     -0.659989
  C      -7.030364      2.104296     -0.552553
  C      -6.861583      1.147158      0.441334
  F      -7.755167      0.149177      0.500433
  C      -5.808647      1.216815      1.379975
  C      -5.622551      0.173008      2.415409
  O      -6.101042     -0.950945      2.345052
  N      -4.813879      0.512403      3.537057
  C      -4.314952     -0.482665      4.281061
  C      -4.915957      2.280785      1.241657
  C      -7.491560      9.416952     -1.360243
  C      -6.972330      8.161413     -0.705769
  O      -7.009772      7.076429     -1.284492
  C      -6.395921      8.257953      0.672852
  C      -6.098074      9.481437      1.298700
  C      -5.516166      9.504935      2.563163
  C      -5.224261      8.302883      3.202448
  F      -4.681092      8.366492      4.433136
  C      -5.517207      7.059308      2.616548
  C      -5.223876      5.725213      3.203891
  O      -5.881988      4.736747      2.876152
  N      -4.116059      5.673685      4.069241
  C      -3.745518      4.475140      4.381758
  C      -6.121730      7.071235      1.355570
  C     -13.171719     -1.523468      3.497796
  C     -12.087346     -1.129100      4.474123
  O     -12.034603     -1.620610      5.598012
  C     -11.068066     -0.121743      4.036972
  C     -10.974482      0.336857      2.711522
  C      -9.996627      1.258866      2.351029
  C      -9.105221      1.711703      3.318045
  F      -8.180031      2.623665      2.947036
  C      -9.168775      1.290903      4.652406
  C      -8.274894      1.789267      5.743876
  O      -8.753606      2.032862      6.853285
  N      -6.913602      1.895103      5.399420
  C      -6.157316      2.251486      6.405051
  C     -10.174629      0.379504      4.990390
  H      -4.926293      5.927026     -0.950809
  H      -3.135020      5.907844     -0.956654
  H      -4.077401      4.729774     -1.938281
  H      -6.258332      3.901612     -1.437310
  H      -7.878383      2.013853     -1.231745
  H      -4.523678     -1.546414      4.109217
  H      -4.070337      2.379879      1.917273
  H      -8.216256      9.931497     -0.711592
  H      -6.664958     10.122179     -1.542753
  H      -7.960359      9.160481     -2.316177
  H      -6.311917     10.426177      0.797502
  H      -5.282945     10.442815      3.068186
  H      -4.486560      3.643974      3.904152
  H      -6.378659      6.119342      0.890932
  H     -13.891112     -2.175419      4.004719
  H     -12.736174     -2.064984      2.642675
  H     -13.686606     -0.639679      3.092834
  H     -11.664862     -0.026082      1.949537
  H      -9.917833      1.636883      1.331749
  H      -6.615646      2.490271      7.382072
  H     -10.262115      0.044021      6.024629
  N      -2.273973      1.848403      3.421661
  H      -1.579676      1.876734      2.665818
88
Coordinates from ORCA-job orca E -6669.227682995447
  N      -3.518272      0.014858      5.253322
  Mo     -3.500930      1.971878      4.668251
  N      -4.814994      2.351290      6.334719
  C      -4.125675      2.889769      7.501657
  C      -2.837333      2.105425      7.711580
  N      -2.099565      1.846681      6.410343
  C      -1.520715      0.451162      6.408825
  C      -2.673494     -0.542323      6.278272
  C      -1.029221      2.885412      6.195577
  C      -1.691398      4.227555      5.886838
  N      -2.835020      3.890429      5.068602
  H      -2.323167     -1.556999      6.038038
  H      -3.242031     -0.603129      7.221344
  H      -0.858614      0.385755      5.536634
  H      -0.932382      0.293806      7.324952
  H      -2.007650      4.764545      6.793952
  H      -0.995695      4.879489      5.335353
  H      -0.388332      2.939707      7.087969
  H      -0.423762      2.554148      5.343434
  H      -4.746187      2.798343      8.406832
  H      -3.921386      3.962674      7.363730
  H      -3.082797      1.130915      8.146397
  H      -2.146827      2.618704      8.395527
  C      -4.020989      5.151646     -1.105140
  C      -4.030921      4.267767      0.113457
  O      -3.227338      4.429752      1.033160
  C      -5.058643      3.186686      0.206955
  C      -6.142599      3.074494     -0.676415
  C      -7.076399      2.054673     -0.513345
  C      -6.918733      1.142523      0.523155
  F      -7.827270      0.163139      0.632856
  C      -5.857555      1.234295      1.450337
  C      -5.685917      0.228929      2.522270
  O      -6.202730     -0.879014      2.505115
  N      -4.825607      0.563738      3.607907
  C      -4.363479     -0.448371      4.355116
  C      -4.944024      2.269512      1.254370
  C      -7.489245      9.458599     -1.335882
  C      -6.978183      8.198706     -0.683855
  O      -7.024062      7.115026     -1.263838
  C      -6.395936      8.289472      0.692091
  C      -6.082914      9.509832      1.316199
  C      -5.494647      9.527092      2.577261
  C      -5.211077      8.322146      3.214788
  F      -4.659775      8.381052      4.441700
  C      -5.519524      7.081272      2.631327
  C      -5.235018      5.743661      3.217037
  O      -5.887696      4.757195      2.875419
  N      -4.128401      5.684304      4.080706
  C      -3.756860      4.483213      4.388003
  C      -6.130631      7.100082      1.373689
  C     -13.107842     -1.554380      3.376148
  C     -12.027844     -1.190316      4.369037
  O     -11.954533     -1.748868      5.459591
  C     -11.039263     -0.131084      3.989930
  C     -10.976750      0.420097      2.698584
  C     -10.024796      1.386201      2.388680
  C      -9.127451      1.789723      3.371977
  F      -8.222066      2.739875      3.049489
  C      -9.164207      1.280350      4.676237
  C      -8.269610      1.734075      5.787167
  O      -8.737520      1.881420      6.917478
  N      -6.915646      1.881636      5.430733
  C      -6.152357      2.245222      6.428323
  C     -10.144239      0.325348      4.964050
  H      -4.914217      5.800172     -1.111074
  H      -3.122829      5.778171     -1.093450
  H      -4.057411      4.559986     -2.031162
  H      -6.277707      3.794099     -1.484845
  H      -7.931465      1.949759     -1.181234
  H      -4.633335     -1.500860      4.200132
  H      -4.085872      2.380455      1.912736
  H      -8.208242      9.977746     -0.684847
  H      -6.657850     10.157778     -1.519105
  H      -7.962026      9.207349     -2.291044
  H      -6.289831     10.456667      0.816458
  H      -5.249511     10.462371      3.081063
  H      -4.499759      3.657229      3.914162
  H      -6.402264      6.151201      0.911968
  H     -13.803445     -2.258580      3.844595
  H     -12.663450     -2.026490      2.485427
  H     -13.652322     -0.662803      3.031782
  H     -11.671086      0.095159      1.923462
  H      -9.968965      1.834165      1.396682
  H      -6.600869      2.478531      7.411259
  H     -10.210543     -0.080831      5.974132
  N      -2.280092      1.836759      3.426528
  H      -1.592091      1.884671      2.665798
88
Coordinates from ORCA-job orca E -6669.229937124896
  N      -3.444772      0.006534      5.251151
  Mo     -3.440622      1.960126      4.647835
  N      -4.807805      2.323114      6.278404
  C      -4.144062      2.872285      7.456986
  C      -2.846481      2.110290      7.693286
  N      -2.073478      1.866125      6.412820
  C      -1.466124      0.484669      6.421419
  C      -2.588441     -0.542364      6.272036
  C      -1.019127      2.925324      6.217728
  C      -1.701258      4.254962      5.896890
  N      -2.828025      3.894657      5.065265
  H      -2.197547     -1.537321      6.012651
  H      -3.158390     -0.645163      7.210728
  H      -0.791064      0.435032      5.558225
  H      -0.887022      0.336860      7.344960
  H      -2.042194      4.783271      6.800490
  H      -1.011223      4.922573      5.357663
  H      -0.392041      2.988896      7.119143
  H      -0.396316      2.606793      5.373250
  H      -4.778575      2.767311      8.350774
  H      -3.957986      3.949337      7.324793
  H      -3.087100      1.131438      8.121320
  H      -2.183773      2.634970      8.396047
  C      -3.999012      5.157973     -1.054487
  C      -3.994492      4.259740      0.153007
  O      -3.166077      4.397605      1.054958
  C      -5.032250      3.188814      0.251917
  C      -6.130718      3.095960     -0.615231
  C      -7.074540      2.086369     -0.444205
  C      -6.915313      1.167505      0.586263
  F      -7.833074      0.198622      0.703219
  C      -5.841269      1.243194      1.500115
  C      -5.669333      0.237960      2.571529
  O      -6.214060     -0.855955      2.578839
  N      -4.765118      0.558782      3.623723
  C      -4.306904     -0.454826      4.372708
  C      -4.914121      2.263756      1.291898
  C      -7.524373      9.436515     -1.352424
  C      -7.006082      8.177561     -0.704650
  O      -7.058416      7.092631     -1.281241
  C      -6.408488      8.271815      0.664806
  C      -6.085346      9.493140      1.281535
  C      -5.483093      9.512108      2.535674
  C      -5.195781      8.308564      3.174048
  F      -4.630228      8.370447      4.394051
  C      -5.514319      7.066554      2.598574
  C      -5.224948      5.728927      3.184162
  O      -5.888294      4.744757      2.855643
  N      -4.128656      5.674631      4.060148
  C      -3.746765      4.474377      4.366509
  C      -6.138684      7.083685      1.347202
  C     -13.197737     -1.499966      3.345833
  C     -12.089235     -1.192038      4.326222
  O     -11.995751     -1.799313      5.388609
  C     -11.097985     -0.127568      3.969498
  C     -11.069558      0.490312      2.707597
  C     -10.111968      1.456565      2.416645
  C      -9.175295      1.792651      3.388452
  F      -8.257628      2.735627      3.079398
  C      -9.181233      1.221423      4.667283
  C      -8.252708      1.615573      5.774754
  O      -8.689738      1.700612      6.923776
  N      -6.912364      1.795622      5.390087
  C      -6.143761      2.187049      6.372574
  C     -10.166018      0.266033      4.936242
  H      -4.892592      5.804779     -1.043737
  H      -3.100002      5.783112     -1.047893
  H      -4.047181      4.575803     -1.986323
  H      -6.268931      3.821222     -1.417970
  H      -7.939318      1.994983     -1.101398
  H      -4.612036     -1.500615      4.237675
  H      -4.041266      2.357196      1.933845
  H      -8.235804      9.955381     -0.693086
  H      -6.694453     10.134752     -1.545274
  H      -8.008013      9.185452     -2.302148
  H      -6.295204     10.439318      0.781860
  H      -5.229860     10.448316      3.033598
  H      -4.461960      3.646074      3.881257
  H      -6.418034      6.133733      0.892139
  H     -13.888027     -2.219846      3.797981
  H     -12.780154     -1.932564      2.422830
  H     -13.742649     -0.588484      3.059321
  H     -11.794275      0.217602      1.940318
  H     -10.078607      1.953706      1.447242
  H      -6.591870      2.419704      7.356092
  H     -10.208386     -0.189040      5.926534
  N      -2.193950      1.832690      3.429249
  H      -1.494196      1.916730      2.682205
88
Coordinates from ORCA-job orca E -6669.231785456936
  N      -3.400339      0.009354      5.232844
  Mo     -3.404411      1.964769      4.625308
  N      -4.810520      2.304718      6.228820
  C      -4.159848      2.857161      7.416055
  C      -2.856196      2.109075      7.665735
  N      -2.056869      1.882254      6.400646
  C      -1.430187      0.511169      6.409564
  C      -2.530134     -0.538531      6.243527
  C      -1.014176      2.955670      6.223439
  C      -1.710046      4.278035      5.901866
  N      -2.827861      3.905543      5.063754
  H      -2.107478     -1.513758      5.959570
  H      -3.095254     -0.680657      7.179527
  H      -0.746966      0.476346      5.552153
  H      -0.856895      0.364888      7.337106
  H      -2.064977      4.796221      6.806232
  H      -1.025971      4.958286      5.371399
  H      -0.395916      3.019660      7.130842
  H      -0.381257      2.649772      5.381768
  H      -4.800294      2.738347      8.303733
  H      -3.987282      3.937557      7.292292
  H      -3.093115      1.124465      8.083260
  H      -2.214563      2.637670      8.385318
  C      -3.946188      5.167761     -0.985086
  C      -3.948999      4.256545      0.212156
  O      -3.101380      4.357874      1.101375
  C      -5.020880      3.220584      0.317998
  C      -6.137664      3.174667     -0.529336
  C      -7.112284      2.195919     -0.351077
  C      -6.968499      1.261981      0.668741
  F      -7.918969      0.327328      0.795969
  C      -5.875436      1.291534      1.562425
  C      -5.713922      0.278222      2.626945
  O      -6.297821     -0.794247      2.657598
  N      -4.750223      0.568081      3.633070
  C      -4.287501     -0.448240      4.378629
  C      -4.916372      2.280309      1.344938
  C      -7.501107      9.380857     -1.413088
  C      -6.990192      8.130079     -0.743816
  O      -7.052592      7.035035     -1.299571
  C      -6.388248      8.245801      0.622179
  C      -6.050497      9.475777      1.213174
  C      -5.444927      9.513304      2.465220
  C      -5.169022      8.319955      3.127434
  F      -4.600015      8.401684      4.344618
  C      -5.502731      7.070052      2.578148
  C      -5.228138      5.739584      3.187952
  O      -5.890345      4.754573      2.860709
  N      -4.130720      5.685542      4.062339
  C      -3.745305      4.483262      4.357255
  C      -6.129319      7.069015      1.327772
  C     -13.236247     -1.526592      3.316704
  C     -12.101049     -1.263301      4.279542
  O     -11.967897     -1.931751      5.299956
  C     -11.132806     -0.167242      3.956747
  C     -11.158563      0.533711      2.739216
  C     -10.219872      1.526216      2.476942
  C      -9.247307      1.805387      3.431316
  F      -8.348112      2.773263      3.145253
  C      -9.200541      1.152144      4.670222
  C      -8.238819      1.485937      5.770117
  O      -8.633215      1.460495      6.937529
  N      -6.915613      1.721696      5.360478
  C      -6.143535      2.138854      6.329641
  C     -10.167284      0.171272      4.910990
  H      -4.828274      5.829905     -0.963000
  H      -3.035326      5.775328     -0.980145
  H      -4.011814      4.594202     -1.921448
  H      -6.265265      3.911642     -1.322959
  H      -7.990713      2.140864     -0.993987
  H      -4.626237     -1.486391      4.267039
  H      -4.025307      2.332459      1.966829
  H      -8.206665      9.916140     -0.760736
  H      -6.666375     10.068966     -1.620550
  H      -7.989441      9.117095     -2.356901
  H      -6.251233     10.414041      0.695355
  H      -5.180421     10.456641      2.943290
  H      -4.444358      3.659551      3.864374
  H      -6.419583      6.112528      0.893234
  H     -13.902194     -2.283727      3.743692
  H     -12.842303     -1.893862      2.355914
  H     -13.802372     -0.607452      3.106100
  H     -11.911574      0.306633      1.984521
  H     -10.227043      2.087556      1.542843
  H      -6.587872      2.365816      7.315943
  H     -10.168404     -0.348148      5.869951
  N      -2.153608      1.842516      3.411202
  H      -1.453838      1.960268      2.668794
88
Coordinates from ORCA-job orca E -6669.233449658644
  N      -3.318999      0.012008      5.243686
  Mo     -3.351940      1.965595      4.628250
  N      -4.792132      2.274745      6.209855
  C      -4.156551      2.840274      7.401227
  C      -2.841688      2.115941      7.662373
  N      -2.018490      1.909050      6.409876
  C      -1.361276      0.553181      6.424885
  C      -2.432715     -0.524222      6.246515
  C      -0.996958      3.003774      6.244135
  C      -1.716810      4.311676      5.919325
  N      -2.824217      3.917084      5.077223
  H      -1.976263     -1.478257      5.942741
  H      -2.990863     -0.701373      7.179946
  H      -0.669035      0.534535      5.574391
  H      -0.793232      0.419288      7.357619
  H      -2.086581      4.821485      6.822665
  H      -1.044422      5.005947      5.392442
  H      -0.387467      3.076030      7.156869
  H      -0.352648      2.711281      5.406361
  H      -4.798459      2.707329      8.285895
  H      -4.004732      3.924086      7.280617
  H      -3.064379      1.124765      8.072525
  H      -2.221036      2.654158      8.393480
  C      -3.988617      5.139100     -0.979811
  C      -3.971643      4.236016      0.222970
  O      -3.115384      4.347935      1.102697
  C      -5.034037      3.192657      0.345330
  C      -6.159077      3.134024     -0.490611
  C      -7.124423      2.149926     -0.297005
  C      -6.966141      1.224903      0.729044
  F      -7.908523      0.284950      0.872323
  C      -5.864703      1.266398      1.610918
  C      -5.688227      0.264795      2.683837
  O      -6.283843     -0.798697      2.748419
  N      -4.690897      0.556615      3.656758
  C      -4.224883     -0.452062      4.413403
  C      -4.913069      2.258259      1.375418
  C      -7.550576      9.311498     -1.423239
  C      -7.034835      8.069284     -0.741719
  O      -7.102499      6.967412     -1.282911
  C      -6.420886      8.202104      0.616839
  C      -6.070987      9.439127      1.185543
  C      -5.450927      9.492185      2.429824
  C      -5.173367      8.307236      3.106388
  F      -4.588382      8.404456      4.314837
  C      -5.520343      7.051351      2.580113
  C      -5.242334      5.727526      3.203037
  O      -5.916819      4.742181      2.904614
  N      -4.142962      5.684354      4.076057
  C      -3.744909      4.485116      4.363760
  C      -6.161003      7.035062      1.337316
  C     -13.306550     -1.370813      3.190777
  C     -12.147851     -1.209388      4.148157
  O     -12.010118     -1.961624      5.107481
  C     -11.162218     -0.110771      3.895056
  C     -11.203432      0.694652      2.744655
  C     -10.247300      1.684151      2.542071
  C      -9.242555      1.856911      3.488124
  F      -8.321870      2.819390      3.254977
  C      -9.180764      1.098761      4.665371
  C      -8.186981      1.319406      5.764639
  O      -8.546527      1.179738      6.935288
  N      -6.881026      1.625362      5.348547
  C      -6.118934      2.069305      6.313869
  C     -10.163833      0.121885      4.846802
  H      -4.884752      5.781979     -0.964322
  H      -3.090690      5.765391     -0.980017
  H      -4.041704      4.555858     -1.910893
  H      -6.299599      3.864441     -1.287794
  H      -8.007758      2.084116     -0.931840
  H      -4.576697     -1.487882      4.325130
  H      -4.013281      2.316590      1.983792
  H      -8.250470      9.855640     -0.772386
  H      -6.717670      9.996604     -1.646320
  H      -8.046560      9.035795     -2.359414
  H      -6.272020     10.370345      0.655791
  H      -5.175497     10.440897      2.890286
  H      -4.427341      3.657128      3.866435
  H      -6.459026      6.073297      0.920190
  H     -13.977589     -2.150077      3.566415
  H     -12.938793     -1.661018      2.194177
  H     -13.859954     -0.428038      3.071205
  H     -11.982226      0.551432      1.995845
  H     -10.263755      2.324140      1.660434
  H      -6.566250      2.288363      7.300025
  H     -10.152265     -0.478397      5.757022
  N      -2.102572      1.858723      3.409589
  H      -1.409309      2.009128      2.667230
88
Coordinates from ORCA-job orca E -6669.235007037427
  N      -3.260782      0.021130      5.260260
  Mo     -3.314459      1.972203      4.637267
  N      -4.780599      2.259814      6.200889
  C      -4.154914      2.835422      7.394117
  C      -2.833968      2.125757      7.664998
  N      -1.990805      1.932854      6.422333
  C      -1.310934      0.588474      6.444266
  C      -2.361268     -0.507860      6.254696
  C      -0.983857      3.041587      6.264816
  C      -1.718960      4.338652      5.936104
  N      -2.819127      3.928138      5.091539
  H      -1.881129     -1.443922      5.931429
  H      -2.911346     -0.713677      7.186409
  H      -0.609716      0.581283      5.601089
  H      -0.749094      0.466270      7.382353
  H      -2.097627      4.845697      6.837341
  H      -1.054059      5.039866      5.408927
  H      -0.382206      3.119690      7.182371
  H      -0.330787      2.756253      5.431442
  H      -4.796870      2.694887      8.277902
  H      -4.015882      3.920800      7.274208
  H      -3.047073      1.129745      8.068517
  H      -2.228229      2.669003      8.405170
  C      -4.081657      5.087852     -0.997137
  C      -4.035336      4.198574      0.214731
  O      -3.154311      4.314504      1.069157
  C      -5.095606      3.157924      0.375127
  C      -6.242833      3.093175     -0.430845
  C      -7.203699      2.112805     -0.203147
  C      -7.021484      1.198188      0.828726
  F      -7.962707      0.263203      1.007841
  C      -5.897118      1.244559      1.679979
  C      -5.697166      0.257406      2.762185
  O      -6.303335     -0.796038      2.867110
  N      -4.660544      0.551282      3.693751
  C      -4.189380     -0.448814      4.457766
  C      -4.949527      2.231558      1.408690
  C      -7.559464      9.279646     -1.431778
  C      -7.048982      8.041375     -0.739007
  O      -7.136239      6.933358     -1.265081
  C      -6.418172      8.184441      0.610093
  C      -6.042543      9.424843      1.154805
  C      -5.405786      9.487990      2.390234
  C      -5.138020      8.309287      3.081751
  F      -4.535400      8.416115      4.280771
  C      -5.511227      7.051232      2.580056
  C      -5.243181      5.732726      3.218283
  O      -5.937669      4.753156      2.950314
  N      -4.140234      5.692368      4.089862
  C      -3.739012      4.493852      4.371792
  C      -6.167441      7.025151      1.345621
  C     -13.303890     -1.287630      3.047493
  C     -12.133529     -1.198363      4.000036
  O     -11.983221     -2.022596      4.896072
  C     -11.151986     -0.081877      3.819857
  C     -11.217249      0.816551      2.741879
  C     -10.264192      1.819180      2.600840
  C      -9.238629      1.914076      3.535521
  F      -8.319151      2.888785      3.356077
  C      -9.153528      1.061414      4.645790
  C      -8.138769      1.191947      5.739397
  O      -8.452114      0.895648      6.894255
  N      -6.848561      1.564566      5.334818
  C      -6.101801      2.023316      6.304310
  C     -10.132642      0.071230      4.765298
  H      -4.984071      5.721560     -0.976073
  H      -3.190447      5.723246     -1.019421
  H      -4.142792      4.491233     -1.919220
  H      -6.403005      3.815842     -1.231234
  H      -8.102991      2.042159     -0.814516
  H      -4.551373     -1.482933      4.396895
  H      -4.032218      2.290839      1.989825
  H      -8.246129      9.840657     -0.781204
  H      -6.722877      9.953537     -1.674037
  H      -8.068916      8.995689     -2.358096
  H      -6.236013     10.350388      0.612668
  H      -5.109540     10.439156      2.832069
  H      -4.415019      3.664246      3.871538
  H      -6.483641      6.061418      0.947224
  H     -13.965738     -2.098873      3.367314
  H     -12.948658     -1.492476      2.025621
  H     -13.863907     -0.341797      3.012397
  H     -12.013147      0.735774      2.001711
  H     -10.298027      2.530011      1.775829
  H      -6.555193      2.235292      7.288733
  H     -10.100867     -0.602938      5.621647
  N      -2.074979      1.875195      3.408836
  H      -1.390355      2.046257      2.663201
88
Coordinates from ORCA-job orca E -6669.236234297940
  N      -3.175716      0.027608      5.264135
  Mo     -3.278624      1.977874      4.646346
  N      -4.764970      2.221430      6.199763
  C      -4.154581      2.807178      7.395845
  C      -2.820142      2.124757      7.670368
  N      -1.959476      1.961315      6.432803
  C      -1.243351      0.636098      6.456817
  C      -2.260501     -0.488704      6.250581
  C      -0.979673      3.095630      6.286022
  C      -1.744564      4.374601      5.958719
  N      -2.833287      3.938329      5.111295
  H      -1.748747     -1.399832      5.905041
  H      -2.800970     -0.732835      7.178740
  H      -0.532612      0.651685      5.621748
  H      -0.687813      0.529339      7.400386
  H      -2.135451      4.873110      6.859345
  H      -1.095702      5.090761      5.431268
  H      -0.385836      3.183911      7.207900
  H      -0.315269      2.827943      5.455851
  H      -4.793506      2.649346      8.279479
  H      -4.039299      3.895506      7.280508
  H      -3.012236      1.119820      8.061959
  H      -2.232080      2.674196      8.420405
  C      -4.146392      5.047017     -0.993397
  C      -4.078385      4.168747      0.225422
  O      -3.180014      4.288446      1.060875
  C      -5.137359      3.131452      0.417963
  C      -6.306166      3.064678     -0.357734
  C      -7.259799      2.083756     -0.103946
  C      -7.049146      1.168974      0.923009
  F      -7.983484      0.231365      1.125322
  C      -5.902141      1.216353      1.743229
  C      -5.668554      0.230609      2.819876
  O      -6.265814     -0.825495      2.943336
  N      -4.601522      0.529805      3.716560
  C      -4.113139     -0.459555      4.479719
  C      -4.964128      2.205972      1.447447
  C      -7.583503      9.196379     -1.463200
  C      -7.081550      7.968403     -0.746321
  O      -7.183536      6.850531     -1.249371
  C      -6.442121      8.132195      0.595813
  C      -6.048852      9.380130      1.110390
  C      -5.406313      9.464162      2.341702
  C      -5.150104      8.298353      3.059243
  F      -4.542679      8.426076      4.253812
  C      -5.540073      7.033669      2.587760
  C      -5.287569      5.727153      3.255891
  O      -5.975390      4.742555      2.991437
  N      -4.174774      5.691888      4.119101
  C      -3.758639      4.496051      4.389312
  C      -6.201216      6.986894      1.356146
  C     -13.339414     -1.104996      2.904839
  C     -12.152604     -1.123752      3.840786
  O     -12.005369     -2.027182      4.657476
  C     -11.152720     -0.012644      3.745155
  C     -11.226403      0.987368      2.760951
  C     -10.258283      1.983079      2.693188
  C      -9.210184      1.971398      3.607821
  F      -8.276201      2.941370      3.497062
  C      -9.114074      1.011814      4.626833
  C      -8.067317      1.012475      5.696323
  O      -8.329746      0.570487      6.817408
  N      -6.801874      1.472743      5.319334
  C      -6.077625      1.939522      6.299370
  C     -10.107508      0.029808      4.673549
  H      -5.055616      5.670969     -0.972214
  H      -3.262679      5.692392     -1.029396
  H      -4.207130      4.438841     -1.908115
  H      -6.487177      3.785826     -1.155242
  H      -8.174443      2.010794     -0.691965
  H      -4.462550     -1.498795      4.436374
  H      -4.030157      2.263494      2.002247
  H      -8.262014      9.778544     -0.822469
  H      -6.742692      9.858101     -1.724318
  H      -8.099883      8.896033     -2.380565
  H      -6.234522     10.295176      0.547820
  H      -5.097154     10.421551      2.760878
  H      -4.422652      3.658882      3.883246
  H      -6.530635      6.018111      0.981510
  H     -14.008981     -1.932888      3.159516
  H     -13.005363     -1.217138      1.861560
  H     -13.884502     -0.151804      2.968624
  H     -12.041654      0.992028      2.037330
  H     -10.296618      2.770961      1.940895
  H      -6.540431      2.128359      7.284044
  H     -10.064827     -0.726733      5.457679
  N      -2.052801      1.914967      3.401157
  H      -1.380358      2.108724      2.650026
88
Coordinates from ORCA-job orca E -6669.237153991938
  N      -3.130688      0.033486      5.277255
  Mo     -3.255290      1.979070      4.651144
  N      -4.763457      2.215512      6.184700
  C      -4.169555      2.810102      7.383253
  C      -2.834410      2.136940      7.675953
  N      -1.952903      1.981208      6.449643
  C      -1.220452      0.665711      6.492892
  C      -2.217057     -0.474232      6.269980
  C      -0.983384      3.125817      6.312253
  C      -1.756845      4.394511      5.967402
  N      -2.832024      3.939602      5.111695
  H      -1.685366     -1.371097      5.917026
  H      -2.759563     -0.740098      7.191425
  H      -0.492480      0.687179      5.672799
  H      -0.682611      0.573920      7.448143
  H      -2.160380      4.899093      6.858830
  H      -1.109475      5.110946      5.438138
  H      -0.404380      3.224802      7.242557
  H      -0.303848      2.860244      5.493762
  H      -4.815361      2.652431      8.262405
  H      -4.059795      3.898538      7.264170
  H      -3.024190      1.128972      8.060830
  H      -2.260120      2.687876      8.435599
  C      -4.216800      5.001077     -1.001334
  C      -4.119064      4.123921      0.216593
  O      -3.186751      4.227593      1.015854
  C      -5.188979      3.106180      0.454489
  C      -6.393901      3.063037     -0.266634
  C      -7.350490      2.094796      0.024506
  C      -7.105313      1.166147      1.031692
  F      -8.043943      0.240557      1.269319
  C      -5.920035      1.189154      1.796686
  C      -5.647701      0.192434      2.853754
  O      -6.242677     -0.863150      2.992268
  N      -4.562633      0.500341      3.727059
  C      -4.072273     -0.471157      4.505941
  C      -4.983180      2.170161      1.468155
  C      -7.592783      9.223587     -1.460372
  C      -7.100918      7.989992     -0.746253
  O      -7.234790      6.871691     -1.241729
  C      -6.430834      8.146981      0.581450
  C      -6.003448      9.389911      1.081210
  C      -5.335670      9.468413      2.299429
  C      -5.088228      8.301824      3.018960
  F      -4.456895      8.425403      4.201402
  C      -5.510177      7.041691      2.561608
  C      -5.269819      5.734341      3.232581
  O      -5.982347      4.761683      2.993128
  N      -4.158043      5.692068      4.099211
  C      -3.747587      4.495341      4.373858
  C      -6.196105      7.000909      1.342915
  C     -13.332103     -1.075459      2.823935
  C     -12.139477     -1.127368      3.751616
  O     -11.985152     -2.060767      4.532635
  C     -11.142485     -0.010468      3.693008
  C     -11.230774      1.032349      2.754903
  C     -10.267939      2.035395      2.722250
  C      -9.211121      1.989250      3.626750
  F      -8.287502      2.970735      3.553731
  C      -9.096183      0.980725      4.596023
  C      -8.029483      0.922316      5.642435
  O      -8.238376      0.354689      6.718245
  N      -6.784764      1.441552      5.290964
  C      -6.073098      1.908994      6.276337
  C     -10.084749     -0.007554      4.607847
  H      -5.122882      5.628299     -0.960182
  H      -3.332026      5.643405     -1.061511
  H      -4.301468      4.389122     -1.911948
  H      -6.599635      3.793475     -1.049991
  H      -8.293039      2.040661     -0.520144
  H      -4.413109     -1.513983      4.486678
  H      -4.022986      2.207077      1.979646
  H      -8.248234      9.822654     -0.810868
  H      -6.745303      9.868718     -1.741688
  H      -8.132007      8.926868     -2.365869
  H      -6.183367     10.305279      0.516858
  H      -5.000303     10.422034      2.707407
  H      -4.407333      3.655751      3.864195
  H      -6.550379      6.036381      0.979921
  H     -13.994938     -1.917869      3.047137
  H     -13.005064     -1.139423      1.774121
  H     -13.882331     -0.129192      2.932910
  H     -12.054215      1.065402      2.041235
  H     -10.316356      2.856487      2.006092
  H      -6.542674      2.083216      7.260772
  H     -10.025183     -0.801794      5.352738
  N      -2.035247      1.924905      3.400520
  H      -1.364622      2.116194      2.647134
88
Coordinates from ORCA-job orca E -6669.237882651572
  N      -3.048411      0.033569      5.286902
  Mo     -3.221122      1.974841      4.663369
  N      -4.741462      2.177883      6.189120
  C      -4.167683      2.776166      7.394085
  C      -2.820807      2.128594      7.690926
  N      -1.928470      2.002667      6.467980
  C      -1.162302      0.706966      6.516113
  C      -2.125552     -0.458865      6.279388
  C      -0.986651      3.172394      6.342086
  C      -1.787938      4.422767      5.992144
  N      -2.846836      3.941853      5.129658
  H      -1.567955     -1.336195      5.917403
  H      -2.662040     -0.752518      7.196350
  H      -0.424972      0.749474      5.705093
  H      -0.634298      0.628890      7.478013
  H      -2.207772      4.919387      6.880411
  H      -1.154730      5.153593      5.465358
  H      -0.418345      3.283659      7.277571
  H      -0.293121      2.925938      5.529289
  H      -4.815968      2.602282      8.268404
  H      -4.078073      3.867288      7.280971
  H      -2.993392      1.112245      8.061835
  H      -2.261669      2.681745      8.460131
  C      -4.285767      4.949571     -1.011181
  C      -4.162871      4.088006      0.215771
  O      -3.217877      4.207912      0.997630
  C      -5.215905      3.057701      0.476316
  C      -6.429100      2.992083     -0.228282
  C      -7.364745      2.007167      0.076803
  C      -7.088210      1.082417      1.079166
  F      -8.002594      0.134580      1.323609
  C      -5.895410      1.130887      1.831331
  C      -5.590308      0.137699      2.882438
  O      -6.130604     -0.949883      2.995302
  N      -4.503261      0.468856      3.746178
  C      -3.986024     -0.490432      4.522401
  C      -4.980351      2.128530      1.490563
  C      -7.659501      9.161629     -1.459682
  C      -7.165591      7.934101     -0.736902
  O      -7.311679      6.810442     -1.216709
  C      -6.481406      8.102863      0.582361
  C      -6.045494      9.349352      1.065613
  C      -5.365978      9.437739      2.276465
  C      -5.115062      8.277928      3.005758
  F      -4.472486      8.412938      4.180581
  C      -5.544505      7.013833      2.564722
  C      -5.301873      5.711525      3.245374
  O      -6.014967      4.737040      3.015178
  N      -4.191144      5.676224      4.111853
  C      -3.764356      4.483889      4.383819
  C      -6.242362      6.963636      1.352995
  C     -13.355388     -0.864110      2.706309
  C     -12.158802     -0.998958      3.620835
  O     -12.016929     -1.985034      4.336706
  C     -11.140179      0.100124      3.628787
  C     -11.217973      1.209695      2.768639
  C     -10.237236      2.195872      2.798191
  C      -9.174130      2.065441      3.687322
  F      -8.236737      3.035554      3.683186
  C      -9.064719      0.984533      4.575014
  C      -7.980997      0.827863      5.592292
  O      -8.159567      0.142168      6.603670
  N      -6.751175      1.393798      5.274887
  C      -6.045510      1.838549      6.272033
  C     -10.071209      0.015242      4.526555
  H      -5.207618      5.553504     -0.977163
  H      -3.417184      5.612777     -1.080634
  H      -4.355445      4.324518     -1.914554
  H      -6.656530      3.716850     -1.011312
  H      -8.312927      1.934487     -0.455918
  H      -4.305370     -1.540147      4.510187
  H      -4.013917      2.182784      1.989721
  H      -8.305713      9.770941     -0.810239
  H      -6.812221      9.799904     -1.757185
  H      -8.209397      8.856702     -2.356105
  H      -6.228284     10.259612      0.493703
  H      -5.023727     10.394442      2.671696
  H      -4.406183      3.636832      3.867719
  H      -6.602786      5.996512      1.002883
  H     -14.029122     -1.711121      2.872615
  H     -13.035368     -0.856103      1.652321
  H     -13.891296      0.079437      2.887627
  H     -12.047328      1.308513      2.068033
  H     -10.275661      3.067140      2.142798
  H      -6.518428      1.978158      7.260963
  H     -10.015293     -0.833993      5.208499
  N      -1.999647      1.957628      3.412153
  H      -1.331938      2.160546      2.659135
88
Coordinates from ORCA-job orca E -6669.238606916542
  N      -2.982005      0.039485      5.280315
  Mo     -3.199948      1.978908      4.672105
  N      -4.737142      2.143155      6.182528
  C      -4.190248      2.739459      7.399335
  C      -2.834707      2.113969      7.705652
  N      -1.926826      2.020909      6.490939
  C      -1.130325      0.743382      6.542182
  C      -2.059164     -0.444842      6.277249
  C      -1.009890      3.212791      6.389045
  C      -1.831947      4.448237      6.031763
  N      -2.869180      3.948245      5.153768
  H      -1.475639     -1.302006      5.907901
  H      -2.597119     -0.768596      7.183159
  H      -0.377876      0.810366      5.746746
  H      -0.620494      0.670219      7.514193
  H      -2.272457      4.935242      6.915303
  H      -1.206853      5.192658      5.514465
  H      -0.459775      3.330655      7.334412
  H      -0.296805      2.988355      5.586694
  H      -4.846643      2.547127      8.263562
  H      -4.118864      3.833146      7.296259
  H      -2.995487      1.088747      8.057180
  H      -2.293757      2.663919      8.489797
  C      -4.331539      4.915872     -1.067245
  C      -4.171330      4.062830      0.161702
  O      -3.196890      4.180830      0.906816
  C      -5.223543      3.044249      0.467497
  C      -6.465789      2.992739     -0.184212
  C      -7.398553      2.017599      0.159945
  C      -7.088088      1.086779      1.146074
  F      -7.999905      0.146839      1.427661
  C      -5.864000      1.122157      1.846513
  C      -5.523782      0.117497      2.876000
  O      -6.047796     -0.978768      2.982409
  N      -4.440329      0.459473      3.739360
  C      -3.911880     -0.494880      4.514373
  C      -4.952829      2.110388      1.469613
  C      -7.655027      9.136554     -1.481705
  C      -7.169573      7.912078     -0.748455
  O      -7.328853      6.784521     -1.214496
  C      -6.479429      8.088731      0.567197
  C      -6.038030      9.336598      1.041573
  C      -5.357905      9.430017      2.251599
  C      -5.111353      8.274648      2.989532
  F      -4.468085      8.416728      4.162883
  C      -5.544797      7.008629      2.556418
  C      -5.309643      5.708118      3.243989
  O      -6.010376      4.729486      2.994538
  N      -4.213909      5.672901      4.124810
  C      -3.779668      4.482057      4.393452
  C      -6.242871      6.953944      1.345101
  C     -13.392825     -0.770168      2.670277
  C     -12.187212     -0.955730      3.563749
  O     -12.045808     -1.973955      4.233040
  C     -11.158349      0.133056      3.609727
  C     -11.240620      1.288054      2.811435
  C     -10.252204      2.264666      2.878822
  C      -9.176564      2.078276      3.742306
  F      -8.240514      3.047287      3.786171
  C      -9.055951      0.946193      4.562107
  C      -7.945703      0.718211      5.537354
  O      -8.096459     -0.038013      6.502230
  N      -6.734591      1.332866      5.249230
  C      -6.033904      1.764028      6.252863
  C     -10.072795     -0.011004      4.479608
  H      -5.258442      5.510541     -1.018247
  H      -3.470466      5.585593     -1.161814
  H      -4.414787      4.282854     -1.964267
  H      -6.718288      3.722372     -0.954965
  H      -8.370379      1.957402     -0.329959
  H      -4.216593     -1.549086      4.500283
  H      -3.964985      2.151780      1.926777
  H      -8.293732      9.757471     -0.835944
  H      -6.802865      9.763876     -1.788170
  H      -8.210602      8.827775     -2.373304
  H      -6.217883     10.243739      0.463808
  H      -5.011711     10.388026      2.640195
  H      -4.401987      3.633377      3.863921
  H      -6.607764      5.985967      1.002138
  H     -14.067080     -1.623432      2.798018
  H     -13.084007     -0.705663      1.615065
  H     -13.924777      0.163086      2.908849
  H     -12.080639      1.431138      2.131467
  H     -10.295106      3.171199      2.274321
  H      -6.506542      1.856924      7.247957
  H     -10.008573     -0.898605      5.110038
  N      -1.970964      2.000680      3.429573
  H      -1.300336      2.210584      2.681283
88
Coordinates from ORCA-job orca E -6669.239170171144
  N      -2.934394      0.038544      5.281059
  Mo     -3.192507      1.976596      4.682938
  N      -4.728241      2.119536      6.190636
  C      -4.192331      2.716726      7.411857
  C      -2.830068      2.105716      7.717610
  N      -1.919384      2.033885      6.503882
  C      -1.101266      0.770401      6.555515
  C      -2.006874     -0.433716      6.279250
  C      -1.021165      3.240036      6.410864
  C      -1.857965      4.463851      6.047156
  N      -2.884585      3.948864      5.166344
  H      -1.405272     -1.277067      5.907046
  H      -2.542418     -0.774445      7.179902
  H      -0.342664      0.853666      5.767519
  H      -0.599493      0.700633      7.531966
  H      -2.308002      4.948015      6.927678
  H      -1.240565      5.214873      5.530250
  H      -0.480626      3.364809      7.360760
  H      -0.297341      3.029175      5.614147
  H      -4.849604      2.515233      8.273193
  H      -4.132335      3.811413      7.311879
  H      -2.982031      1.075254      8.058158
  H      -2.296970      2.653924      8.508202
  C      -4.393722      4.890872     -1.064413
  C      -4.202837      4.036759      0.159592
  O      -3.211229      4.155471      0.881452
  C      -5.250057      3.022215      0.492095
  C      -6.512326      2.981928     -0.119985
  C      -7.442008      2.013986      0.251984
  C      -7.107078      1.077532      1.224216
  F      -8.016800      0.145109      1.536325
  C      -5.860370      1.100892      1.882800
  C      -5.490680      0.085325      2.891190
  O      -5.992380     -1.022426      2.984708
  N      -4.407458      0.437634      3.748015
  C      -3.857951     -0.510007      4.518623
  C      -4.953088      2.082981      1.482140
  C      -7.691926      9.101027     -1.489083
  C      -7.226126      7.878547     -0.739933
  O      -7.420335      6.746859     -1.181478
  C      -6.501808      8.064336      0.556466
  C      -6.028010      9.311206      1.001014
  C      -5.321223      9.410776      2.195051
  C      -5.080122      8.263226      2.946988
  F      -4.408286      8.412805      4.103203
  C      -5.544658      6.998490      2.543533
  C      -5.317934      5.703099      3.245039
  O      -6.030724      4.729367      3.008287
  N      -4.226035      5.666415      4.127351
  C      -3.791222      4.475344      4.395981
  C      -6.268018      6.938168      1.347546
  C     -13.367766     -0.681463      2.561543
  C     -12.168403     -0.906999      3.453767
  O     -12.032899     -1.952865      4.079982
  C     -11.141757      0.180021      3.558296
  C     -11.226213      1.376386      2.823911
  C     -10.244020      2.353070      2.949802
  C      -9.171090      2.124826      3.805873
  F      -8.248965      3.102127      3.915848
  C      -9.042267      0.945406      4.555884
  C      -7.922121      0.661636      5.505905
  O      -8.059479     -0.156174      6.420361
  N      -6.718061      1.301265      5.248007
  C      -6.018157      1.712735      6.257761
  C     -10.055967     -0.009360      4.418903
  H      -5.330366      5.468526     -1.004369
  H      -3.544625      5.574199     -1.169216
  H      -4.476428      4.257187     -1.961194
  H      -6.783651      3.717063     -0.878777
  H      -8.430757      1.965516     -0.204155
  H      -4.147413     -1.568666      4.505355
  H      -3.951398      2.114032      1.909686
  H      -8.302439      9.750542     -0.844382
  H      -6.828515      9.698626     -1.822114
  H      -8.271226      8.790758     -2.364897
  H      -6.203000     10.212301      0.412466
  H      -4.949036     10.368172      2.560348
  H      -4.402904      3.626076      3.862718
  H      -6.656770      5.971561      1.028279
  H     -14.037641     -1.544313      2.637031
  H     -13.050837     -0.557333      1.514291
  H     -13.908544      0.233678      2.846800
  H     -12.065361      1.553760      2.150761
  H     -10.292308      3.293107      2.400105
  H      -6.484562      1.765317      7.259015
  H      -9.986493     -0.931689      4.996787
  N      -1.967981      2.017770      3.434720
  H      -1.300994      2.222857      2.681817
88
Coordinates from ORCA-job orca E -6669.239611453545
  N      -2.920228      0.038725      5.273237
  Mo     -3.202986      1.978802      4.685289
  N      -4.731293      2.109074      6.194498
  C      -4.198211      2.705500      7.418252
  C      -2.832859      2.100274      7.719817
  N      -1.924421      2.042009      6.505029
  C      -1.094188      0.786340      6.551140
  C      -1.988617     -0.425018      6.270909
  C      -1.036969      3.255490      6.418553
  C      -1.880986      4.473925      6.054041
  N      -2.902662      3.954506      5.171651
  H      -1.378144     -1.262460      5.899661
  H      -2.523052     -0.770807      7.169874
  H      -0.334769      0.880255      5.765272
  H      -0.593801      0.713854      7.528142
  H      -2.335593      4.954795      6.934355
  H      -1.267155      5.229187      5.539120
  H      -0.501868      3.381254      7.371349
  H      -0.306979      3.054539      5.624684
  H      -4.855322      2.498919      8.278338
  H      -4.143416      3.800436      7.319962
  H      -2.981519      1.067046      8.053673
  H      -2.301864      2.645656      8.513773
  C      -4.424824      4.866689     -1.074054
  C      -4.221025      4.014912      0.149529
  O      -3.211429      4.118832      0.848332
  C      -5.271585      3.011753      0.502141
  C      -6.548587      2.990136     -0.079447
  C      -7.483920      2.037086      0.315647
  C      -7.139493      1.096342      1.279946
  F      -8.054107      0.178107      1.618290
  C      -5.876561      1.100636      1.905861
  C      -5.494313      0.077357      2.902131
  O      -5.990697     -1.032948      2.992244
  N      -4.410034      0.432185      3.753306
  C      -3.844368     -0.514734      4.517066
  C      -4.963486      2.067884      1.484586
  C      -7.672084      9.112925     -1.511615
  C      -7.220896      7.889038     -0.755546
  O      -7.446356      6.756988     -1.180205
  C      -6.484099      8.075310      0.533910
  C      -5.990118      9.318726      0.965893
  C      -5.273056      9.416186      2.153822
  C      -5.041730      8.270648      2.912023
  F      -4.357040      8.419197      4.060874
  C      -5.526923      7.009911      2.521900
  C      -5.310898      5.714610      3.228868
  O      -6.028654      4.744763      2.987954
  N      -4.229768      5.672769      4.121533
  C      -3.802351      4.478761      4.391330
  C      -6.259577      6.952122      1.331656
  C     -13.321107     -0.692492      2.482474
  C     -12.129577     -0.932185      3.380969
  O     -11.977037     -2.003673      3.957793
  C     -11.128067      0.170669      3.546515
  C     -11.238139      1.401070      2.875376
  C     -10.283645      2.395211      3.061354
  C      -9.211158      2.149446      3.912381
  F      -8.320279      3.146886      4.088287
  C      -9.052181      0.932039      4.592986
  C      -7.916328      0.622248      5.516253
  O      -8.031391     -0.238047      6.392006
  N      -6.721244      1.282245      5.260030
  C      -6.014648      1.681066      6.268540
  C     -10.041129     -0.038423      4.400837
  H      -5.362011      5.441733     -1.007835
  H      -3.577154      5.549970     -1.189714
  H      -4.514299      4.229701     -1.967930
  H      -6.827439      3.729169     -0.831299
  H      -8.484706      2.005721     -0.114792
  H      -4.130148     -1.574337      4.501203
  H      -3.952134      2.082691      1.889724
  H      -8.262324      9.779947     -0.866096
  H      -6.800338      9.689274     -1.859545
  H      -8.267292      8.806757     -2.378037
  H      -6.155901     10.218233      0.372495
  H      -4.884151     10.370622      2.509050
  H      -4.407674      3.632936      3.853673
  H      -6.663059      5.988365      1.022496
  H     -13.966938     -1.576484      2.498702
  H     -12.992324     -0.500428      1.449378
  H     -13.893311      0.188786      2.809741
  H     -12.077624      1.593041      2.206681
  H     -10.356199      3.363201      2.565685
  H      -6.466189      1.699962      7.277779
  H      -9.949441     -0.989371      4.926880
  N      -1.981467      2.026457      3.434518
  H      -1.317994      2.223013      2.676289
88
Coordinates from ORCA-job orca E -6669.239896460729
  N      -2.876999      0.028624      5.269044
  Mo     -3.204904      1.969851      4.695139
  N      -4.715966      2.077219      6.215503
  C      -4.179917      2.672626      7.439844
  C      -2.805486      2.082639      7.727318
  N      -1.907632      2.047218      6.505180
  C      -1.055302      0.806233      6.536783
  C      -1.932803     -0.417275      6.262065
  C      -1.041702      3.275197      6.419247
  C      -1.905899      4.481552      6.063172
  N      -2.923824      3.951185      5.184612
  H      -1.311412     -1.247182      5.891911
  H      -2.459317     -0.766123      7.164459
  H      -0.304349      0.916619      5.745082
  H      -0.545033      0.734901      7.508824
  H      -2.363005      4.952721      6.947571
  H      -1.305539      5.247592      5.548137
  H      -0.505503      3.405470      7.370864
  H      -0.310432      3.090643      5.622570
  H      -4.829686      2.455738      8.302877
  H      -4.137907      3.767977      7.344157
  H      -2.939081      1.045711      8.055714
  H      -2.275952      2.629493      8.521318
  C      -4.465763      4.845582     -1.053239
  C      -4.237354      3.981239      0.157225
  O      -3.219424      4.085927      0.843590
  C      -5.280657      2.975099      0.521771
  C      -6.568145      2.957535     -0.036915
  C      -7.498398      2.005214      0.371192
  C      -7.138316      1.060817      1.326006
  F      -8.048239      0.144800      1.682427
  C      -5.864030      1.060002      1.927393
  C      -5.463015      0.032120      2.913215
  O      -5.943086     -1.086044      2.995992
  N      -4.387735      0.401191      3.766147
  C      -3.797381     -0.539281      4.520938
  C      -4.956267      2.027135      1.495129
  C      -7.731002      9.048221     -1.515770
  C      -7.285293      7.830333     -0.746325
  O      -7.508975      6.694943     -1.162410
  C      -6.538690      8.028402      0.535578
  C      -6.042049      9.275738      0.953359
  C      -5.314408      9.382564      2.134056
  C      -5.074606      8.242773      2.898350
  F      -4.377498      8.400534      4.038724
  C      -5.563024      6.979082      2.523332
  C      -5.337580      5.688536      3.236735
  O      -6.050383      4.712953      3.000373
  N      -4.257944      5.657499      4.131438
  C      -3.826025      4.464686      4.399955
  C      -6.306110      6.912083      1.340137
  C     -13.265841     -0.556763      2.348188
  C     -12.102609     -0.828972      3.273776
  O     -11.978626     -1.913206      3.833337
  C     -11.100056      0.262831      3.497205
  C     -11.188271      1.512469      2.860339
  C     -10.236956      2.498039      3.101460
  C      -9.188471      2.223675      3.973073
  F      -8.301680      3.214649      4.206928
  C      -9.049231      0.983278      4.616161
  C      -7.924916      0.637268      5.540615
  O      -8.059769     -0.229730      6.404647
  N      -6.713928      1.272768      5.285734
  C      -5.996019      1.640294      6.297648
  C     -10.035750      0.023343      4.371738
  H      -5.411782      5.403455     -0.972956
  H      -3.630322      5.543786     -1.168413
  H      -4.551268      4.217096     -1.953450
  H      -6.859442      3.698705     -0.781662
  H      -8.507075      1.979046     -0.040581
  H      -4.064320     -1.603610      4.497109
  H      -3.939000      2.037771      1.884617
  H      -8.317463      9.724934     -0.877111
  H      -6.855981      9.615750     -1.869779
  H      -8.328115      8.736505     -2.378749
  H      -6.212833     10.170797      0.354874
  H      -4.922683     10.339808      2.478199
  H      -4.418935      3.615126      3.858618
  H      -6.710189      5.945138      1.041982
  H     -13.914736     -1.438012      2.316543
  H     -12.906229     -0.331876      1.332268
  H     -13.845559      0.314934      2.687273
  H     -12.008345      1.727165      2.174987
  H     -10.296474      3.481539      2.635233
  H      -6.433929      1.633820      7.312753
  H      -9.959659     -0.944411      4.868747
  N      -1.994210      2.033558      3.435456
  H      -1.341207      2.224234      2.666837
88
Coordinates from ORCA-job orca E -6669.240051425303
  N      -2.847222      0.028286      5.268393
  Mo     -3.201240      1.969035      4.699265
  N      -4.711372      2.061549      6.217701
  C      -4.175749      2.654157      7.444639
  C      -2.795804      2.074509      7.727254
  N      -1.897902      2.055606      6.504309
  C      -1.029850      0.825315      6.528952
  C      -1.894284     -0.406899      6.257618
  C      -1.045972      3.293691      6.421079
  C      -1.922507      4.491669      6.070041
  N      -2.935933      3.953991      5.191010
  H      -1.265513     -1.230403      5.885474
  H      -2.413359     -0.759623      7.163082
  H      -0.283934      0.946295      5.734006
  H      -0.513445      0.759021      7.498223
  H      -2.382689      4.955924      6.956433
  H      -1.330227      5.264981      5.556282
  H      -0.510967      3.426384      7.373183
  H      -0.312632      3.118730      5.624227
  H      -4.822173      2.428883      8.308094
  H      -4.142497      3.749936      7.352571
  H      -2.918317      1.034668      8.050090
  H      -2.270734      2.621735      8.524155
  C      -4.501887      4.796277     -1.057207
  C      -4.268390      3.944517      0.161066
  O      -3.245540      4.053517      0.839566
  C      -5.307775      2.938883      0.540037
  C      -6.599528      2.914804     -0.009416
  C      -7.526066      1.964923      0.412845
  C      -7.157539      1.027416      1.371551
  F      -8.063803      0.113896      1.743645
  C      -5.878248      1.031022      1.961477
  C      -5.465755      0.010460      2.950934
  O      -5.929641     -1.114617      3.032780
  N      -4.384168      0.389242      3.791093
  C      -3.774301     -0.547058      4.534787
  C      -4.975381      1.997414      1.516807
  C      -7.734694      9.061636     -1.516985
  C      -7.288656      7.841171     -0.751569
  O      -7.519704      6.707231     -1.168014
  C      -6.541039      8.033982      0.530037
  C      -6.040673      9.279407      0.949592
  C      -5.310685      9.382111      2.129213
  C      -5.072446      8.239905      2.890480
  F      -4.372626      8.394060      4.029802
  C      -5.564343      6.977966      2.513751
  C      -5.340349      5.685828      3.224454
  O      -6.051949      4.710254      2.985274
  N      -4.265539      5.656152      4.127495
  C      -3.834378      4.463192      4.398535
  C      -6.309662      6.915319      1.331545
  C     -13.229021     -0.515458      2.270604
  C     -12.072857     -0.802349      3.200884
  O     -11.939592     -1.903024      3.725048
  C     -11.085657      0.293539      3.468670
  C     -11.188884      1.564279      2.877890
  C     -10.252681      2.554134      3.159301
  C      -9.202690      2.262357      4.023826
  F      -8.335061      3.257932      4.304494
  C      -9.048144      0.999806      4.619099
  C      -7.918333      0.631829      5.528136
  O      -8.045176     -0.249308      6.378325
  N      -6.707943      1.272838      5.277738
  C      -5.991316      1.622558      6.297538
  C     -10.020744      0.036638      4.337805
  H      -5.452986      5.346314     -0.985757
  H      -3.672547      5.501003     -1.176816
  H      -4.578036      4.157776     -1.951322
  H      -6.897728      3.649576     -0.757959
  H      -8.537909      1.935470      0.009059
  H      -4.033219     -1.613366      4.513154
  H      -3.955376      2.011017      1.899028
  H      -8.316696      9.739411     -0.875224
  H      -6.859742      9.627696     -1.873716
  H      -8.336177      8.752629     -2.377912
  H      -6.210669     10.176409      0.353738
  H      -4.916267     10.337694      2.474989
  H      -4.419424      3.610957      3.851465
  H      -6.715963      5.949703      1.031964
  H     -13.860663     -1.406630      2.196411
  H     -12.862143     -0.243233      1.268916
  H     -13.829576      0.331068      2.636318
  H     -12.009177      1.792518      2.197357
  H     -10.326041      3.553901      2.730779
  H      -6.426373      1.599113      7.313355
  H      -9.933232     -0.948181      4.798236
  N      -1.998898      2.041051      3.432577
  H      -1.354902      2.229494      2.655787
88
Coordinates from ORCA-job orca E -6669.240190714453
  N      -2.826799      0.021019      5.263012
  Mo     -3.197970      1.963073      4.699538
  N      -4.711999      2.042079      6.214694
  C      -4.175619      2.631559      7.443738
  C      -2.790305      2.063345      7.722775
  N      -1.891965      2.055503      6.500170
  C      -1.014788      0.832064      6.518908
  C      -1.869657     -0.407114      6.251616
  C      -1.050000      3.301126      6.417711
  C      -1.937411      4.493338      6.075010
  N      -2.948925      3.950952      5.196254
  H      -1.234743     -1.225793      5.879406
  H      -2.384209     -0.762571      7.158861
  H      -0.275559      0.959594      5.718670
  H      -0.490283      0.770334      7.484188
  H      -2.398814      4.948260      6.965489
  H      -1.353407      5.274925      5.564274
  H      -0.512000      3.434832      7.368093
  H      -0.318716      3.133520      5.617541
  H      -4.818285      2.396719      8.307427
  H      -4.151823      3.727962      7.356224
  H      -2.901608      1.022148      8.044645
  H      -2.270816      2.614177      8.520963
  C      -4.476009      4.805302     -1.036180
  C      -4.246557      3.946173      0.177274
  O      -3.220891      4.044338      0.853558
  C      -5.285892      2.936394      0.547328
  C      -6.575566      2.911732     -0.007158
  C      -7.501390      1.957179      0.406258
  C      -7.134468      1.015522      1.361711
  F      -8.039199      0.096466      1.723160
  C      -5.857837      1.018911      1.957013
  C      -5.445655     -0.003604      2.945060
  O      -5.915507     -1.125892      3.030551
  N      -4.368091      0.376729      3.789921
  C      -3.753223     -0.557653      4.531166
  C      -4.956055      1.990039      1.519855
  C      -7.747102      9.046296     -1.524061
  C      -7.294316      7.826368     -0.762000
  O      -7.524488      6.692316     -1.178868
  C      -6.553393      8.018765      0.523206
  C      -6.059535      9.265298      0.947106
  C      -5.334727      9.368992      2.129816
  C      -5.095566      8.226356      2.890035
  F      -4.401480      8.381622      4.032732
  C      -5.580638      6.962985      2.508648
  C      -5.355347      5.671382      3.218515
  O      -6.059736      4.692319      2.973898
  N      -4.282417      5.646843      4.126761
  C      -3.847250      4.455116      4.399806
  C      -6.320843      6.899319      1.323125
  C     -13.236642     -0.488813      2.265266
  C     -12.084355     -0.776333      3.200390
  O     -11.948369     -1.879859      3.717630
  C     -11.100074      0.319975      3.476095
  C     -11.205195      1.594053      2.892864
  C     -10.269306      2.583483      3.178501
  C      -9.217052      2.287499      4.039163
  F      -8.350320      3.281341      4.327919
  C      -9.062128      1.022115      4.627233
  C      -7.933129      0.651313      5.535555
  O      -8.064550     -0.218489      6.396808
  N      -6.716479      1.278200      5.269253
  C      -5.996410      1.616288      6.292823
  C     -10.033966      0.059640      4.343274
  H      -5.425359      5.358488     -0.963740
  H      -3.644803      5.508659     -1.150229
  H      -4.551659      4.171671     -1.933821
  H      -6.873223      3.648857     -0.753614
  H      -8.511091      1.926772     -0.002588
  H      -4.006279     -1.625229      4.505028
  H      -3.937253      2.003658      1.905218
  H      -8.331125      9.720707     -0.880622
  H      -6.875500      9.617216     -1.881133
  H      -8.348367      8.735714     -2.384542
  H      -6.231537     10.162893      0.352808
  H      -4.946057     10.325520      2.479253
  H      -4.423027      3.599319      3.847857
  H      -6.722033      5.932715      1.020048
  H     -13.861203     -1.383884      2.179755
  H     -12.866777     -0.204163      1.268217
  H     -13.845248      0.349794      2.635787
  H     -12.026289      1.825495      2.214600
  H     -10.343817      3.585310      2.754823
  H      -6.432402      1.594545      7.307964
  H      -9.946911     -0.927716      4.798330
  N      -1.999424      2.042512      3.428310
  H      -1.364689      2.237582      2.645510
88
Coordinates from ORCA-job orca E -6669.240338440902
  N      -2.813053      0.021164      5.257477
  Mo     -3.202437      1.963658      4.704997
  N      -4.710401      2.030453      6.224921
  C      -4.168196      2.614870      7.454099
  C      -2.777237      2.055580      7.722081
  N      -1.884539      2.057360      6.494621
  C      -0.999523      0.839293      6.503652
  C      -1.847802     -0.404632      6.239720
  C      -1.050737      3.308838      6.411703
  C      -1.948517      4.496703      6.081928
  N      -2.962400      3.951636      5.207201
  H      -1.211460     -1.219604      5.861985
  H      -2.353751     -0.764796      7.150073
  H      -0.268280      0.973009      5.696891
  H      -0.465338      0.780708      7.463858
  H      -2.406574      4.942990      6.978508
  H      -1.373826      5.285591      5.571851
  H      -0.506057      3.441810      7.358454
  H      -0.324677      3.148767      5.605223
  H      -4.803231      2.370012      8.320692
  H      -4.152637      3.712148      7.372797
  H      -2.878058      1.012712      8.041942
  H      -2.257969      2.607994      8.519345
  C      -4.487917      4.781779     -1.049707
  C      -4.254805      3.926174      0.165485
  O      -3.229206      4.030934      0.841033
  C      -5.293363      2.917689      0.542731
  C      -6.582522      2.887491     -0.012533
  C      -7.507062      1.933658      0.405623
  C      -7.139540      0.998505      1.367244
  F      -8.042801      0.078835      1.731024
  C      -5.864238      1.008026      1.965220
  C      -5.452810     -0.008103      2.960826
  O      -5.919830     -1.131630      3.047788
  N      -4.373167      0.374633      3.803158
  C      -3.748939     -0.558177      4.537242
  C      -4.963430      1.977682      1.521635
  C      -7.725595      9.057795     -1.527141
  C      -7.280973      7.836613     -0.762372
  O      -7.497007      6.703327     -1.189304
  C      -6.550859      8.026018      0.529567
  C      -6.065434      9.272654      0.962851
  C      -5.350511      9.374458      2.151838
  C      -5.112524      8.229537      2.909085
  F      -4.428807      8.383715      4.058098
  C      -5.589157      6.965377      2.517873
  C      -5.364682      5.671390      3.222934
  O      -6.062102      4.690353      2.968784
  N      -4.295189      5.646387      4.136640
  C      -3.860892      4.454501      4.409810
  C      -6.320086      6.903941      1.326304
  C     -13.226815     -0.486208      2.251818
  C     -12.080539     -0.767533      3.196459
  O     -11.952613     -1.865190      3.728442
  C     -11.097732      0.330191      3.471677
  C     -11.196554      1.600127      2.877704
  C     -10.260758      2.590506      3.161840
  C      -9.214625      2.299304      4.031721
  F      -8.346617      3.291290      4.320335
  C      -9.066451      1.038913      4.630498
  C      -7.944960      0.675461      5.550177
  O      -8.087107     -0.175108      6.429099
  N      -6.721853      1.290061      5.275675
  C      -5.999207      1.617537      6.302116
  C     -10.037786      0.075155      4.348610
  H      -5.439360      5.331925     -0.980069
  H      -3.659744      5.488716     -1.164672
  H      -4.559443      4.145277     -1.945832
  H      -6.880891      3.619161     -0.764365
  H      -8.516207      1.898482     -0.004508
  H      -3.997780     -1.626936      4.511879
  H      -3.944630      1.994722      1.907252
  H      -8.319042      9.730141     -0.890031
  H      -6.850654      9.631464     -1.871944
  H      -8.315147      8.747575     -2.395948
  H      -6.236818     10.172140      0.370948
  H      -4.968781     10.331196      2.508651
  H      -4.433428      3.597385      3.855659
  H      -6.714964      5.937081      1.015625
  H     -13.848975     -1.383138      2.166877
  H     -12.851790     -0.204622      1.255816
  H     -13.839396      0.352784      2.615499
  H     -12.013000      1.828072      2.192392
  H     -10.330122      3.588757      2.728683
  H      -6.435067      1.592917      7.317047
  H      -9.956772     -0.908878      4.812150
  N      -2.017610      2.053336      3.422118
  H      -1.397539      2.251622      2.628290
88
Coordinates from ORCA-job orca E -6669.240550329635
  N      -2.786216      0.018961      5.259365
  Mo     -3.204571      1.959020      4.717621
  N      -4.701727      2.014820      6.246329
  C      -4.148707      2.596481      7.472132
  C      -2.749585      2.051047      7.723419
  N      -1.866530      2.060807      6.487431
  C      -0.971085      0.850880      6.489568
  C      -1.809872     -0.400916      6.233564
  C      -1.043877      3.319547      6.397219
  C      -1.957443      4.499551      6.084305
  N      -2.977717      3.946917      5.221177
  H      -1.170366     -1.209537      5.847688
  H      -2.302571     -0.769054      7.147957
  H      -0.250220      0.989514      5.674032
  H      -0.425023      0.801788      7.443580
  H      -2.407736      4.936414      6.989480
  H      -1.398663      5.297232      5.570363
  H      -0.486709      3.454697      7.336419
  H      -0.328398      3.167068      5.579758
  H      -4.770209      2.339523      8.345159
  H      -4.145077      3.694745      7.397327
  H      -2.834864      1.006809      8.043925
  H      -2.229220      2.608755      8.516199
  C      -4.542201      4.736016     -1.053389
  C      -4.292380      3.882608      0.159972
  O      -3.261074      3.996103      0.825735
  C      -5.324742      2.872770      0.551444
  C      -6.615299      2.829752      0.000529
  C      -7.532029      1.872725      0.428994
  C      -7.155904      0.948203      1.397645
  F      -8.052587      0.024978      1.769459
  C      -5.880286      0.972562      1.994510
  C      -5.460982     -0.031838      2.998836
  O      -5.924074     -1.156078      3.097087
  N      -4.374810      0.359058      3.831071
  C      -3.734513     -0.566209      4.557955
  C      -4.986990      1.943760      1.538304
  C      -7.724809      9.079439     -1.509502
  C      -7.277901      7.854671     -0.752117
  O      -7.496081      6.723451     -1.184091
  C      -6.552392      8.036489      0.543884
  C      -6.073872      9.281721      0.988549
  C      -5.365302      9.378137      2.181856
  C      -5.126789      8.229037      2.932722
  F      -4.451574      8.379265      4.087055
  C      -5.595847      6.965238      2.529305
  C      -5.372016      5.667012      3.226354
  O      -6.062810      4.684703      2.961867
  N      -4.305618      5.639577      4.144944
  C      -3.876097      4.447373      4.421431
  C      -6.320900      6.909476      1.333638
  C     -13.189461     -0.463142      2.190785
  C     -12.065528     -0.731248      3.165841
  O     -11.954997     -1.819148      3.721823
  C     -11.080233      0.364934      3.437940
  C     -11.159393      1.624841      2.819300
  C     -10.221325      2.613887      3.101114
  C      -9.191689      2.330894      3.993114
  F      -8.317728      3.318005      4.276995
  C      -9.063486      1.081315      4.617776
  C      -7.962276      0.729517      5.565463
  O      -8.130923     -0.091235      6.468173
  N      -6.725078      1.320159      5.290681
  C      -5.998757      1.629327      6.321511
  C     -10.037264      0.118631      4.338099
  H      -5.496927      5.280224     -0.979213
  H      -3.720221      5.449439     -1.174349
  H      -4.613794      4.097757     -1.948491
  H      -6.920541      3.552872     -0.757039
  H      -8.542078      1.826571      0.021789
  H      -3.974777     -1.637355      4.541550
  H      -3.967283      1.970672      1.920946
  H      -8.317536      9.748970     -0.868505
  H      -6.851376      9.655930     -1.853941
  H      -8.315837      8.771883     -2.378441
  H      -6.246615     10.184566      0.401829
  H      -4.989389     10.333979      2.547627
  H      -4.447579      3.587894      3.869558
  H      -6.711259      5.943599      1.014234
  H     -13.808128     -1.362445      2.103417
  H     -12.793625     -0.191524      1.200127
  H     -13.811234      0.378863      2.532232
  H     -11.963613      1.846875      2.117298
  H     -10.275507      3.604087      2.647647
  H      -6.437640      1.608219      7.334989
  H      -9.973323     -0.857332      4.821095
  N      -2.048820      2.062564      3.409189
  H      -1.459427      2.265401      2.593212
88
Coordinates from ORCA-job orca E -6669.240768069624
  N      -2.769234      0.022190      5.259503
  Mo     -3.204573      1.959034      4.721171
  N      -4.702430      2.008479      6.249156
  C      -4.146144      2.591224      7.473114
  C      -2.741995      2.056783      7.718259
  N      -1.859798      2.068270      6.480238
  C      -0.958405      0.863851      6.486427
  C      -1.790047     -0.393651      6.232598
  C      -1.043131      3.330687      6.385409
  C      -1.966613      4.504848      6.081210
  N      -2.990913      3.945963      5.226210
  H      -1.145054     -1.195686      5.841857
  H      -2.276898     -0.770774      7.146249
  H      -0.239808      1.003147      5.668848
  H      -0.410679      0.822983      7.439746
  H      -2.412854      4.935341      6.991533
  H      -1.419041      5.308536      5.564855
  H      -0.478528      3.467352      7.319885
  H      -0.334816      3.182239      5.560872
  H      -4.759833      2.324252      8.348820
  H      -4.152614      3.690116      7.403863
  H      -2.817624      1.012123      8.040644
  H      -2.224237      2.620097      8.508661
  C      -4.584618      4.696299     -1.057699
  C      -4.321243      3.841139      0.151572
  O      -3.280303      3.952067      0.803043
  C      -5.350413      2.832233      0.553011
  C      -6.640941      2.779047      0.003248
  C      -7.552010      1.819721      0.438897
  C      -7.171321      0.904721      1.414881
  F      -8.063542     -0.020761      1.791740
  C      -5.896645      0.942219      2.013562
  C      -5.472173     -0.049412      3.027357
  O      -5.938870     -1.169750      3.147267
  N      -4.376699      0.349017      3.845970
  C      -3.725291     -0.568161      4.570831
  C      -5.008697      1.913591      1.547892
  C      -7.675310      9.157815     -1.500312
  C      -7.244961      7.921672     -0.752117
  O      -7.454813      6.797334     -1.205708
  C      -6.523814      8.084328      0.549269
  C      -6.052317      9.323925      1.016308
  C      -5.353418      9.404451      2.216370
  C      -5.116949      8.245080      2.952016
  F      -4.452954      8.380669      4.114377
  C      -5.577147      6.985726      2.524825
  C      -5.356471      5.677674      3.204955
  O      -6.040292      4.696855      2.918796
  N      -4.301507      5.641566      4.136266
  C      -3.882749      4.447361      4.418569
  C      -6.292738      6.945828      1.322779
  C     -13.183723     -0.506551      2.189115
  C     -12.063033     -0.755689      3.172887
  O     -11.959053     -1.830468      3.755332
  C     -11.082040      0.347245      3.431860
  C     -11.161615      1.597367      2.793414
  C     -10.227282      2.592875      3.063340
  C      -9.200229      2.325570      3.962911
  F      -8.327427      3.316768      4.232777
  C      -9.071469      1.086624      4.608489
  C      -7.975189      0.755180      5.569269
  O      -8.151698     -0.049030      6.485374
  N      -6.734720      1.340109      5.290666
  C      -6.005316      1.645512      6.321016
  C     -10.042971      0.117513      4.340935
  H      -5.537300      5.242822     -0.974497
  H      -3.762642      5.408445     -1.186947
  H      -4.665878      4.058782     -1.952666
  H      -6.949826      3.494843     -0.759613
  H      -8.561844      1.764105      0.032245
  H      -3.962585     -1.640235      4.568738
  H      -3.989607      1.949710      1.930641
  H      -8.271587      9.823553     -0.858682
  H      -6.794888      9.733455     -1.828388
  H      -8.257871      8.863243     -2.379478
  H      -6.224396     10.234795      0.441785
  H      -4.983925     10.355904      2.599894
  H      -4.454938      3.588902      3.868945
  H      -6.678127      5.983960      0.985932
  H     -13.796851     -1.410556      2.110984
  H     -12.786094     -0.243802      1.196987
  H     -13.811808      0.335690      2.519140
  H     -11.964712      1.807179      2.086085
  H     -10.281879      3.575800      2.594387
  H      -6.448539      1.635523      7.332817
  H      -9.980138     -0.850644      4.839411
  N      -2.072447      2.073132      3.393123
  H      -1.513803      2.286223      2.558124
88
Coordinates from ORCA-job orca E -6669.241049702736
  N      -2.749499      0.030061      5.249864
  Mo     -3.208671      1.962749      4.721564
  N      -4.704022      1.995144      6.249567
  C      -4.149724      2.577982      7.474893
  C      -2.739422      2.056549      7.713851
  N      -1.857903      2.078158      6.474680
  C      -0.946335      0.882219      6.481193
  C      -1.768488     -0.380698      6.222798
  C      -1.051304      3.346485      6.381739
  C      -1.986474      4.512735      6.084831
  N      -3.011205      3.946592      5.235404
  H      -1.115010     -1.174318      5.828317
  H      -2.252769     -0.768441      7.133135
  H      -0.226990      1.027721      5.665356
  H      -0.401245      0.843051      7.435962
  H      -2.432126      4.935408      6.999257
  H      -1.450578      5.323803      5.568001
  H      -0.483923      3.483775      7.314309
  H      -0.346064      3.207879      5.552760
  H      -4.757104      2.297065      8.350762
  H      -4.169473      3.677125      7.414283
  H      -2.805093      1.010079      8.032831
  H      -2.226053      2.622705      8.504983
  C      -4.606479      4.673705     -1.052904
  C      -4.335496      3.812083      0.150711
  O      -3.286816      3.915182      0.790692
  C      -5.361596      2.801335      0.553643
  C      -6.650184      2.738963      0.000422
  C      -7.556254      1.775265      0.436598
  C      -7.173613      0.866892      1.418083
  F      -8.061523     -0.062252      1.795376
  C      -5.901309      0.915825      2.021519
  C      -5.472910     -0.067019      3.041895
  O      -5.935199     -1.187772      3.173238
  N      -4.373162      0.340509      3.850866
  C      -3.707246     -0.569078      4.570041
  C      -5.017784      1.889818      1.554049
  C      -7.643594      9.208303     -1.491534
  C      -7.225631      7.966074     -0.745902
  O      -7.454335      6.844812     -1.197240
  C      -6.504578      8.119933      0.557069
  C      -6.029656      9.355163      1.032297
  C      -5.333131      9.425863      2.234383
  C      -5.101777      8.261442      2.963791
  F      -4.438276      8.387459      4.127527
  C      -5.564694      7.006461      2.527671
  C      -5.349018      5.692265      3.198488
  O      -6.032226      4.714905      2.897399
  N      -4.304562      5.647258      4.139755
  C      -3.896492      4.449271      4.420456
  C      -6.278302      6.976564      1.324386
  C     -13.197705     -0.523937      2.205246
  C     -12.090334     -0.757122      3.207641
  O     -12.006761     -1.814817      3.823832
  C     -11.093467      0.338026      3.437045
  C     -11.153002      1.569763      2.762138
  C     -10.206227      2.559520      3.007032
  C      -9.186537      2.303768      3.918014
  F      -8.301474      3.291026      4.161806
  C      -9.076347      1.081762      4.599399
  C      -7.985269      0.762625      5.570660
  O      -8.174690     -0.022377      6.500133
  N      -6.739574      1.334832      5.289986
  C      -6.008285      1.640045      6.318221
  C     -10.061155      0.119531      4.356059
  H      -5.555786      5.224221     -0.961497
  H      -3.782472      5.382746     -1.186374
  H      -4.696443      4.040246     -1.950005
  H      -6.960548      3.450104     -0.765869
  H      -8.564409      1.711218      0.027070
  H      -3.936293     -1.643057      4.576879
  H      -4.001595      1.934760      1.942151
  H      -8.230019      9.880219     -0.847293
  H      -6.757035      9.773201     -1.821643
  H      -8.232298      8.922173     -2.369376
  H      -6.196382     10.269638      0.462037
  H      -4.960540     10.373610      2.624073
  H      -4.467866      3.594252      3.870399
  H      -6.664922      6.017802      0.980310
  H     -13.818532     -1.423871      2.143088
  H     -12.787510     -0.288615      1.211476
  H     -13.821813      0.331235      2.508757
  H     -11.950728      1.770088      2.046021
  H     -10.246510      3.529819      2.511331
  H      -6.454184      1.635550      7.329255
  H     -10.013410     -0.834931      4.881762
  N      -2.100618      2.095731      3.376781
  H      -1.574870      2.321679      2.523785
88
Coordinates from ORCA-job orca E -6669.241363251060
  N      -2.731052      0.036003      5.248032
  Mo     -3.210408      1.961343      4.717847
  N      -4.705837      1.982359      6.245523
  C      -4.156194      2.570845      7.471058
  C      -2.740025      2.061848      7.708268
  N      -1.857968      2.090576      6.469051
  C      -0.935018      0.903709      6.481060
  C      -1.747928     -0.365236      6.221979
  C      -1.062482      3.365180      6.373792
  C      -2.008973      4.522178      6.077853
  N      -3.033577      3.945231      5.235515
  H      -1.085486     -1.152116      5.828202
  H      -2.231311     -0.758108      7.130508
  H      -0.212705      1.053901      5.668981
  H      -0.395993      0.867737      7.439206
  H      -2.455297      4.941631      6.993486
  H      -1.484003      5.337878      5.557287
  H      -0.494248      3.506577      7.305099
  H      -0.358804      3.233642      5.542388
  H      -4.759713      2.280712      8.346596
  H      -4.188440      3.669497      7.414221
  H      -2.797775      1.014901      8.026176
  H      -2.230148      2.632372      8.498488
  C      -4.631902      4.657726     -1.025577
  C      -4.346363      3.771687      0.157176
  O      -3.288936      3.860655      0.784718
  C      -5.371588      2.761250      0.560882
  C      -6.658865      2.690818      0.005505
  C      -7.558910      1.720857      0.440020
  C      -7.173209      0.816720      1.424468
  F      -8.054875     -0.117934      1.801328
  C      -5.902690      0.877054      2.031124
  C      -5.465710     -0.096623      3.055222
  O      -5.922952     -1.216840      3.204071
  N      -4.364001      0.325606      3.855003
  C      -3.686375     -0.574788      4.574356
  C      -5.025270      1.855326      1.564204
  C      -7.608833      9.266568     -1.489692
  C      -7.203483      8.016065     -0.750328
  O      -7.449819      6.899723     -1.202963
  C      -6.486721      8.158162      0.556254
  C      -6.009814      9.387921      1.043805
  C      -5.316489      9.445285      2.248180
  C      -5.089608      8.273533      2.967047
  F      -4.426341      8.385765      4.132517
  C      -5.554908      7.024514      2.519002
  C      -5.342822      5.703391      3.178584
  O      -6.023459      4.729275      2.857464
  N      -4.311425      5.650088      4.131699
  C      -3.912278      4.447839      4.412618
  C      -6.265526      7.007896      1.314013
  C     -13.210059     -0.525745      2.214561
  C     -12.109345     -0.755405      3.224761
  O     -12.036486     -1.806354      3.853101
  C     -11.101325      0.332360      3.439940
  C     -11.153766      1.557844      2.754349
  C     -10.199108      2.542196      2.988254
  C      -9.178819      2.286267      3.898457
  F      -8.287523      3.272488      4.128771
  C      -9.075785      1.069091      4.591281
  C      -7.984298      0.748189      5.562583
  O      -8.176647     -0.041099      6.487230
  N      -6.739062      1.317270      5.285454
  C      -6.008876      1.627937      6.311869
  C     -10.068869      0.113750      4.357802
  H      -5.574559      5.214227     -0.908300
  H      -3.804178      5.361679     -1.161417
  H      -4.742343      4.042251     -1.932585
  H      -6.971339      3.398898     -0.762292
  H      -8.565065      1.648469      0.027617
  H      -3.907683     -1.649994      4.589992
  H      -4.011957      1.908942      1.956442
  H      -8.189044      9.940207     -0.841979
  H      -6.715812      9.823317     -1.815215
  H      -8.199637      8.992601     -2.369759
  H      -6.171309     10.307685      0.481200
  H      -4.942047     10.388087      2.647388
  H      -4.484510      3.596906      3.863048
  H      -6.652477      6.053265      0.959499
  H     -13.836348     -1.421852      2.156493
  H     -12.793350     -0.300742      1.221313
  H     -13.831023      0.334917      2.507878
  H     -11.951042      1.756642      2.037905
  H     -10.234614      3.509299      2.486369
  H      -6.457977      1.632526      7.322040
  H     -10.026427     -0.835939      4.892252
  N      -2.124622      2.113313      3.357955
  H      -1.637042      2.359824      2.487865
88
Coordinates from ORCA-job orca E -6669.241639325445
  N      -2.709598      0.041778      5.250092
  Mo     -3.215476      1.958583      4.716874
  N      -4.706103      1.970543      6.247894
  C      -4.158609      2.566109      7.471603
  C      -2.736129      2.070985      7.705292
  N      -1.856843      2.107407      6.464152
  C      -0.919777      0.931581      6.478190
  C      -1.719943     -0.345649      6.222659
  C      -1.075889      3.390073      6.363618
  C      -2.035907      4.535550      6.068193
  N      -3.059268      3.944660      5.233958
  H      -1.049274     -1.126491      5.830633
  H      -2.198873     -0.740101      7.132912
  H      -0.197750      1.088668      5.667379
  H      -0.382608      0.900894      7.437520
  H      -2.482456      4.953345      6.984460
  H      -1.523089      5.355193      5.541796
  H      -0.506535      3.538882      7.293070
  H      -0.373424      3.265349      5.530212
  H      -4.757119      2.270016      8.348499
  H      -4.202932      3.664098      7.414330
  H      -2.784106      1.024146      8.023987
  H      -2.228746      2.647252      8.492935
  C      -4.667686      4.604249     -1.022814
  C      -4.375013      3.720557      0.159865
  O      -3.306469      3.799538      0.769794
  C      -5.392352      2.703424      0.566991
  C      -6.676831      2.613676      0.007677
  C      -7.566112      1.634777      0.444164
  C      -7.172814      0.740554      1.434847
  F      -8.042870     -0.203382      1.814615
  C      -5.904740      0.820165      2.044079
  C      -5.454316     -0.141179      3.073527
  O      -5.897572     -1.265170      3.234519
  N      -4.355246      0.302507      3.866404
  C      -3.662242     -0.584873      4.586574
  C      -5.038703      1.807085      1.575573
  C      -7.580439      9.342002     -1.471799
  C      -7.190798      8.080585     -0.741940
  O      -7.443924      6.970985     -1.206005
  C      -6.478323      8.205399      0.568657
  C      -6.000071      9.427778      1.073447
  C      -5.309815      9.467495      2.280111
  C      -5.086350      8.285587      2.983108
  F      -4.423776      8.380589      4.150824
  C      -5.553016      7.043660      2.517905
  C      -5.343849      5.713743      3.161342
  O      -6.017638      4.742359      2.815444
  N      -4.324629      5.650897      4.125617
  C      -3.933128      4.444046      4.403777
  C      -6.261064      7.045019      1.311424
  C     -13.213081     -0.503801      2.207508
  C     -12.124079     -0.732600      3.230396
  O     -12.072779     -1.772505      3.878351
  C     -11.100266      0.342997      3.433242
  C     -11.133668      1.559267      2.730862
  C     -10.165901      2.533148      2.955071
  C      -9.152219      2.275255      3.872219
  F      -8.248706      3.254180      4.090429
  C      -9.068420      1.066051      4.581793
  C      -7.983189      0.740043      5.558942
  O      -8.184939     -0.044280      6.485747
  N      -6.734925      1.299560      5.286161
  C      -6.008027      1.614852      6.313492
  C     -10.073929      0.122451      4.357005
  H      -5.606188      5.165626     -0.897941
  H      -3.837879      5.303332     -1.169446
  H      -4.789901      3.987507     -1.927325
  H      -6.994886      3.313017     -0.765593
  H      -8.569422      1.547138      0.028169
  H      -3.870138     -1.662481      4.608936
  H      -4.028166      1.874798      1.971323
  H      -8.160517     10.013110     -0.821585
  H      -6.679838      9.894051     -1.783537
  H      -8.166409      9.083153     -2.359484
  H      -6.158201     10.355391      0.523307
  H      -4.934947     10.404029      2.693048
  H      -4.505411      3.595461      3.854406
  H      -6.648956      6.096265      0.943192
  H     -13.851217     -1.391760      2.156623
  H     -12.785033     -0.298479      1.214937
  H     -13.825350      0.368714      2.482891
  H     -11.924825      1.758283      2.008163
  H     -10.186498      3.494159      2.441003
  H      -6.459455      1.625464      7.322692
  H     -10.045414     -0.820075      4.904836
  N      -2.152846      2.127141      3.341282
  H      -1.705061      2.390108      2.454340
88
Coordinates from ORCA-job orca E -6669.241941076939
  N      -2.693141      0.044051      5.259860
  Mo     -3.217297      1.951837      4.714940
  N      -4.708746      1.964882      6.245687
  C      -4.164351      2.569238      7.466711
  C      -2.737919      2.085315      7.702442
  N      -1.858404      2.123414      6.461899
  C      -0.909955      0.956207      6.481228
  C      -1.697744     -0.329456      6.232233
  C      -1.089514      3.412651      6.353735
  C      -2.059863      4.548092      6.053812
  N      -3.080659      3.943281      5.225776
  H      -1.021106     -1.107235      5.844856
  H      -2.172791     -0.720405      7.146160
  H      -0.188015      1.117697      5.671351
  H      -0.374302      0.933311      7.441677
  H      -2.508031      4.968100      6.968197
  H      -1.555391      5.368665      5.520873
  H      -0.520613      3.571005      7.281962
  H      -0.386494      3.289971      5.520570
  H      -4.761379      2.272820      8.344360
  H      -4.216803      3.666557      7.404055
  H      -2.779215      1.039874      8.025845
  H      -2.233809      2.668722      8.486903
  C      -4.700666      4.546793     -1.031034
  C      -4.389865      3.655591      0.140636
  O      -3.316135      3.739146      0.741375
  C      -5.400909      2.635305      0.557765
  C      -6.682580      2.526264     -0.004683
  C      -7.563406      1.542510      0.437904
  C      -7.165307      0.662593      1.439505
  F      -8.026520     -0.285953      1.827136
  C      -5.900507      0.761629      2.052072
  C      -5.442124     -0.182625      3.093580
  O      -5.873860     -1.308949      3.267933
  N      -4.344842      0.280262      3.879839
  C      -3.641978     -0.596114      4.603572
  C      -5.042840      1.752332      1.576111
  C      -7.547259      9.437858     -1.447312
  C      -7.165398      8.162389     -0.737548
  O      -7.418637      7.061869     -1.221810
  C      -6.463224      8.263106      0.580753
  C      -5.993258      9.476541      1.114060
  C      -5.311438      9.493710      2.325935
  C      -5.087834      8.298042      3.005025
  F      -4.432353      8.371998      4.178603
  C      -5.546007      7.063798      2.511010
  C      -5.335319      5.722043      3.129318
  O      -5.996499      4.753096      2.751997
  N      -4.332683      5.649669      4.109387
  C      -3.948728      4.438552      4.387135
  C      -6.246079      7.088240      1.300082
  C     -13.224703     -0.496393      2.216674
  C     -12.139875     -0.721766      3.244747
  O     -12.099132     -1.752911      3.906781
  C     -11.105512      0.346486      3.434449
  C     -11.128826      1.555495      2.719235
  C     -10.150943      2.522218      2.932113
  C      -9.137735      2.264224      3.850029
  F      -8.224310      3.237514      4.054509
  C      -9.064710      1.062323      4.572331
  C      -7.982759      0.734044      5.552795
  O      -8.189539     -0.044166      6.484155
  N      -6.733155      1.287603      5.280186
  C      -6.011228      1.611407      6.309320
  C     -10.079642      0.126600      4.358757
  H      -5.637764      5.105925     -0.887157
  H      -3.874261      5.248057     -1.185416
  H      -4.836116      3.937285     -1.938407
  H      -7.004467      3.213175     -0.787421
  H      -8.563695      1.440049      0.018179
  H      -3.841029     -1.675224      4.631292
  H      -4.034240      1.832625      1.973475
  H      -8.134757     10.095950     -0.790547
  H      -6.642823      9.995272     -1.737247
  H      -8.123487      9.197338     -2.346394
  H      -6.152215     10.415266      0.583543
  H      -4.944020     10.422896      2.761347
  H      -4.520688      3.592531      3.836351
  H      -6.628005      6.146406      0.909205
  H     -13.871178     -1.378770      2.175793
  H     -12.792556     -0.308374      1.222475
  H     -13.829785      0.385188      2.478373
  H     -11.918789      1.753814      1.995237
  H     -10.162344      3.477748      2.407704
  H      -6.466404      1.632040      7.316394
  H     -10.058380     -0.809573      4.917759
  N      -2.170169      2.130729      3.329669
  H      -1.759894      2.412191      2.429675
88
Coordinates from ORCA-job orca E -6669.242258058926
  N      -2.677119      0.038960      5.277957
  Mo     -3.212655      1.937580      4.715169
  N      -4.706779      1.961969      6.244141
  C      -4.162849      2.573603      7.461710
  C      -2.734202      2.097483      7.700529
  N      -1.854163      2.133863      6.461259
  C      -0.896763      0.973189      6.484762
  C      -1.672877     -0.321085      6.247245
  C      -1.095181      3.428246      6.342488
  C      -2.073208      4.555628      6.035708
  N      -3.092177      3.937282      5.214554
  H      -0.993901     -1.098235      5.863828
  H      -2.140824     -0.704549      7.168173
  H      -0.178044      1.137367      5.672502
  H      -0.358174      0.960589      7.443914
  H      -2.521842      4.982155      6.946698
  H      -1.574015      5.373801      5.494127
  H      -0.526162      3.598025      7.268800
  H      -0.391493      3.303271      5.510260
  H      -4.759812      2.281308      8.340634
  H      -4.218694      3.670416      7.390992
  H      -2.771037      1.053722      8.030226
  H      -2.233133      2.687413      8.482055
  C      -4.720667      4.493835     -1.029633
  C      -4.391992      3.592113      0.128011
  O      -3.308547      3.670374      0.712523
  C      -5.398893      2.570603      0.554482
  C      -6.680660      2.450376     -0.005723
  C      -7.556496      1.465262      0.443951
  C      -7.154614      0.595944      1.453440
  F      -8.011453     -0.352404      1.851383
  C      -5.890654      0.706162      2.064818
  C      -5.427362     -0.224189      3.116891
  O      -5.853196     -1.350965      3.302056
  N      -4.330840      0.252346      3.897745
  C      -3.621637     -0.613883      4.627327
  C      -5.037084      1.695851      1.578288
  C      -7.543190      9.501846     -1.419417
  C      -7.163745      8.216307     -0.726469
  O      -7.402871      7.122629     -1.232537
  C      -6.470634      8.298836      0.598519
  C      -6.019593      9.506749      1.159381
  C      -5.345370      9.507999      2.375831
  C      -5.110767      8.301522      3.031669
  F      -4.463128      8.362524      4.210680
  C      -5.549493      7.070830      2.509197
  C      -5.326917      5.719132      3.101028
  O      -5.965021      4.748006      2.690755
  N      -4.336993      5.642476      4.093385
  C      -3.958557      4.428171      4.371680
  C      -6.242189      7.112075      1.294273
  C     -13.237298     -0.464620      2.217012
  C     -12.151007     -0.690616      3.243420
  O     -12.118027     -1.714411      3.917022
  C     -11.106307      0.370297      3.420349
  C     -11.119114      1.572728      2.693151
  C     -10.130114      2.531023      2.894521
  C      -9.116454      2.272315      3.812096
  F      -8.190914      3.237313      4.001076
  C      -9.055617      1.078618      4.547705
  C      -7.982562      0.747514      5.537140
  O      -8.199510     -0.023399      6.473184
  N      -6.727191      1.290213      5.268941
  C      -6.012694      1.618332      6.303107
  C     -10.080677      0.150823      4.345155
  H      -5.650343      5.057697     -0.858571
  H      -3.893994      5.191963     -1.196031
  H      -4.880928      3.894020     -1.939393
  H      -7.006622      3.128352     -0.794794
  H      -8.556147      1.354976      0.024448
  H      -3.813280     -1.694374      4.658229
  H      -4.027228      1.780604      1.971473
  H      -8.147920     10.142610     -0.760938
  H      -6.638172     10.071924     -1.681751
  H      -8.101835      9.273975     -2.332852
  H      -6.188381     10.454672      0.648371
  H      -4.993311     10.432882      2.832679
  H      -4.530157      3.586389      3.817848
  H      -6.609396      6.174175      0.880768
  H     -13.895252     -1.339213      2.190977
  H     -12.806374     -0.297235      1.218455
  H     -13.829933      0.428764      2.467080
  H     -11.908917      1.772283      1.969118
  H     -10.130868      3.480331      2.358758
  H      -6.474406      1.650998      7.306257
  H     -10.067613     -0.778369      4.916103
  N      -2.177792      2.122000      3.321443
  H      -1.806909      2.425434      2.410618
88
Coordinates from ORCA-job orca E -6669.242543040915
  N      -2.655928      0.034290      5.294146
  Mo     -3.207026      1.923073      4.714246
  N      -4.703147      1.957565      6.239031
  C      -4.159049      2.575382      7.453519
  C      -2.727405      2.109495      7.693198
  N      -1.846720      2.146033      6.454932
  C      -0.878994      0.994268      6.483835
  C      -1.642499     -0.309746      6.260421
  C      -1.099096      3.446097      6.325955
  C      -2.086666      4.563202      6.012670
  N      -3.102634      3.930438      5.198618
  H      -0.959738     -1.084226      5.879004
  H      -2.100815     -0.689024      7.187963
  H      -0.165650      1.159651      5.666840
  H      -0.335052      0.995822      7.440165
  H      -2.535767      4.994499      6.921187
  H      -1.594742      5.380301      5.462793
  H      -0.530040      3.627869      7.250096
  H      -0.394940      3.320260      5.494158
  H      -4.753404      2.283544      8.334379
  H      -4.220424      3.671817      7.378035
  H      -2.756693      1.066785      8.028007
  H      -2.231821      2.706028      8.473256
  C      -4.716173      4.421670     -1.030708
  C      -4.378406      3.513384      0.118743
  O      -3.290631      3.588944      0.695927
  C      -5.385163      2.494912      0.551864
  C      -6.667405      2.369891     -0.006280
  C      -7.543190      1.388556      0.452275
  C      -7.141743      0.529592      1.471107
  F      -7.999440     -0.413942      1.879542
  C      -5.877950      0.645726      2.081162
  C      -5.412827     -0.271029      3.144423
  O      -5.837759     -1.395734      3.343835
  N      -4.316274      0.218246      3.917537
  C      -3.596673     -0.633866      4.652476
  C      -5.023855      1.628996      1.582799
  C      -7.547412      9.568153     -1.386283
  C      -7.160363      8.272554     -0.716739
  O      -7.377964      7.187179     -1.249741
  C      -6.484309      8.334639      0.619082
  C      -6.064950      9.536341      1.216040
  C      -5.405969      9.520111      2.441017
  C      -5.155487      8.302366      3.069795
  F      -4.524308      8.348811      4.258373
  C      -5.562498      7.076176      2.510555
  C      -5.321494      5.713795      3.069980
  O      -5.930314      4.740433      2.622510
  N      -4.344029      5.632317      4.074902
  C      -3.968773      4.415768      4.351329
  C      -6.240155      7.135252      1.287582
  C     -13.255712     -0.420191      2.217519
  C     -12.169921     -0.646927      3.244212
  O     -12.148816     -1.661589      3.932246
  C     -11.112093      0.403566      3.406343
  C     -11.108709      1.596076      2.661946
  C     -10.106722      2.543563      2.849438
  C      -9.096128      2.285185      3.770595
  F      -8.156171      3.238086      3.944405
  C      -9.051817      1.102515      4.523940
  C      -7.987348      0.771931      5.522065
  O      -8.216328      0.014728      6.466496
  N      -6.723577      1.300829      5.255215
  C      -6.013235      1.626937      6.293142
  C     -10.089412      0.184545      4.334654
  H      -5.641737      4.987669     -0.844962
  H      -3.889854      5.119150     -1.202339
  H      -4.889064      3.827772     -1.942134
  H      -6.994524      3.040453     -0.801468
  H      -8.543040      1.275042      0.033721
  H      -3.777876     -1.716106      4.692190
  H      -4.012889      1.714378      1.973150
  H      -8.176049     10.182650     -0.724725
  H      -6.647460     10.160000     -1.616331
  H      -8.084616      9.352769     -2.315631
  H      -6.246316     10.493776      0.727006
  H      -5.077989     10.440059      2.925289
  H      -4.537398      3.576798      3.795234
  H      -6.581788      6.201155      0.844331
  H     -13.926232     -1.285775      2.207019
  H     -12.824971     -0.275283      1.215187
  H     -13.834373      0.486052      2.454580
  H     -11.896622      1.796966      1.935755
  H     -10.093457      3.484253      2.298548
  H      -6.480232      1.667789      7.293232
  H     -10.088647     -0.736010      4.919702
  N      -2.188543      2.109519      3.308045
  H      -1.857496      2.428522      2.386271
88
Coordinates from ORCA-job orca E -6669.242425961617
  N      -2.625037      0.032948      5.319195
  Mo     -3.207791      1.901642      4.709874
  N      -4.705453      1.946547      6.230670
  C      -4.164584      2.584243      7.437493
  C      -2.725175      2.140553      7.680422
  N      -1.845425      2.176871      6.442905
  C      -0.856546      1.043550      6.484075
  C      -1.594852     -0.278266      6.281079
  C      -1.122876      3.488441      6.291807
  C      -2.131183      4.583278      5.966425
  N      -3.145128      3.920247      5.171022
  H      -0.901003     -1.044720      5.905153
  H      -2.038245     -0.651095      7.218655
  H      -0.149060      1.213448      5.664167
  H      -0.310346      1.067365      7.439979
  H      -2.578875      5.023264      6.870512
  H      -1.657750      5.398459      5.398139
  H      -0.551973      3.693849      7.210973
  H      -0.420822      3.362092      5.459529
  H      -4.753146      2.293539      8.321939
  H      -4.241623      3.678617      7.349750
  H      -2.739634      1.101951      8.026614
  H      -2.236844      2.752335      8.453879
  C      -4.761675      4.315331     -0.997794
  C      -4.395119      3.386721      0.126361
  O      -3.288145      3.448372      0.675069
  C      -5.395806      2.364081      0.567951
  C      -6.681325      2.213446      0.007650
  C      -7.544970      1.222667      0.470995
  C      -7.129484      0.381206      1.500741
  F      -7.978730     -0.568544      1.920233
  C      -5.863248      0.524343      2.113064
  C      -5.377967     -0.364990      3.192860
  O      -5.782596     -1.495354      3.414608
  N      -4.290590      0.158524      3.949579
  C      -3.554390     -0.667589      4.694914
  C      -5.021659      1.513697      1.605644
  C      -7.518954      9.725744     -1.337050
  C      -7.139553      8.408115     -0.705137
  O      -7.352409      7.339284     -1.274468
  C      -6.476527      8.428305      0.640855
  C      -6.075466      9.613542      1.287036
  C      -5.429030      9.558645      2.519054
  C      -5.172498      8.318554      3.105253
  F      -4.553425      8.329881      4.302505
  C      -5.560050      7.106538      2.495772
  C      -5.312568      5.724122      3.009082
  O      -5.894789      4.757193      2.505920
  N      -4.359514      5.622515      4.035188
  C      -4.008597      4.396241      4.313777
  C      -6.225546      7.205181      1.266812
  C     -13.270439     -0.364899      2.209046
  C     -12.194647     -0.601977      3.243580
  O     -12.199137     -1.613711      3.953740
  C     -11.110662      0.429675      3.388330
  C     -11.077580      1.615195      2.628951
  C     -10.051183      2.543281      2.801585
  C      -9.046187      2.273661      3.721636
  F      -8.079059      3.204294      3.877501
  C      -9.035261      1.101332      4.490674
  C      -7.991541      0.762074      5.492562
  O      -8.244624      0.012070      6.425880
  N      -6.715418      1.282024      5.235828
  C      -6.018482      1.621354      6.278727
  C     -10.095358      0.202179      4.315771
  H      -5.676570      4.886196     -0.770346
  H      -3.936179      5.008470     -1.184717
  H      -4.969931      3.739672     -1.915272
  H      -7.020350      2.868383     -0.796363
  H      -8.546364      1.089128      0.048518
  H      -3.712539     -1.753601      4.751232
  H      -4.009480      1.614492      1.995824
  H      -8.163656     10.313682     -0.664776
  H      -6.616669     10.330749     -1.527464
  H      -8.038168      9.540368     -2.285003
  H      -6.262603     10.589042      0.833053
  H      -5.116507     10.465235      3.041763
  H      -4.575401      3.564593      3.755885
  H      -6.552756      6.283352      0.783780
  H     -13.963184     -1.218700      2.214173
  H     -12.827306     -0.248045      1.200627
  H     -13.830858      0.565074      2.427885
  H     -11.859670      1.825154      1.901936
  H     -10.011733      3.477341      2.237827
  H      -6.497502      1.681529      7.272836
  H     -10.118859     -0.708601      4.914319
  N      -2.224231      2.105145      3.280241
  H      -1.982831      2.463384      2.332945
88
Coordinates from ORCA-job orca E -6669.241278086972
  N      -2.595010      0.022873      5.347996
  Mo     -3.205927      1.868761      4.706035
  N      -4.699923      1.933821      6.219252
  C      -4.159062      2.600724      7.412655
  C      -2.711655      2.180875      7.658593
  N      -1.836534      2.207995      6.420582
  C      -0.829546      1.093028      6.476333
  C      -1.543404     -0.248163      6.302505
  C      -1.139742      3.528208      6.236818
  C      -2.169854      4.597349      5.892140
  N      -3.184667      3.900011      5.123471
  H      -0.838255     -1.005484      5.929748
  H      -1.965772     -0.614470      7.252467
  H      -0.134631      1.261151      5.647606
  H      -0.273854      1.145168      7.428382
  H      -2.612356      5.052627      6.789694
  H      -1.716613      5.405377      5.298839
  H      -0.564178      3.764999      7.147525
  H      -0.442886      3.394869      5.403536
  H      -4.738145      2.316262      8.304130
  H      -4.251780      3.692181      7.306472
  H      -2.709472      1.149403      8.023278
  H      -2.231849      2.813238      8.422571
  C      -4.776827      4.215996     -0.902872
  C      -4.401352      3.259729      0.188006
  O      -3.290536      3.297213      0.706511
  C      -5.399488      2.242145      0.627663
  C      -6.680742      2.088590      0.064908
  C      -7.534594      1.097949      0.524521
  C      -7.112052      0.262206      1.556209
  F      -7.955339     -0.681066      1.979664
  C      -5.847356      0.409226      2.168596
  C      -5.340409     -0.463157      3.255408
  O      -5.727372     -1.593096      3.492839
  N      -4.263203      0.080442      3.989337
  C      -3.507247     -0.714249      4.745558
  C      -5.017892      1.394703      1.660768
  C      -7.558501      9.844823     -1.271470
  C      -7.168551      8.512468     -0.680177
  O      -7.383239      7.457609     -1.276724
  C      -6.490621      8.500735      0.660772
  C      -6.095069      9.672021      1.337824
  C      -5.442122      9.587315      2.566222
  C      -5.174174      8.331629      3.118981
  F      -4.552454      8.317199      4.315887
  C      -5.553873      7.131837      2.477140
  C      -5.301590      5.733547      2.953267
  O      -5.872771      4.782144      2.423667
  N      -4.360736      5.603602      3.980870
  C      -4.059022      4.363486      4.264868
  C      -6.224282      7.261056      1.251803
  C     -13.290718     -0.276133      2.156134
  C     -12.230574     -0.516527      3.201429
  O     -12.275472     -1.488235      3.922453
  C     -11.111375      0.474155      3.339109
  C     -11.042711      1.647417      2.560572
  C      -9.986827      2.543145      2.726342
  C      -8.985718      2.252698      3.660319
  F      -7.981120      3.136895      3.810027
  C      -9.012516      1.093439      4.451968
  C      -7.993546      0.741933      5.469978
  O      -8.277027     -0.010306      6.411880
  N      -6.698050      1.249847      5.220367
  C      -6.015663      1.603060      6.265946
  C     -10.101581      0.226744      4.281316
  H      -5.669584      4.790325     -0.639658
  H      -3.956199      4.902649     -1.098373
  H      -5.014475      3.666049     -1.820202
  H      -7.024128      2.737194     -0.740845
  H      -8.530854      0.961965      0.097954
  H      -3.634440     -1.801150      4.825994
  H      -4.011358      1.492108      2.051120
  H      -8.204683     10.408235     -0.579579
  H      -6.663432     10.464236     -1.445309
  H      -8.080958      9.679857     -2.222065
  H      -6.292576     10.660325      0.912453
  H      -5.134516     10.482863      3.112819
  H      -4.623361      3.542669      3.710803
  H      -6.546452      6.349363      0.743640
  H     -14.014496     -1.089368      2.163279
  H     -12.843846     -0.201603      1.171838
  H     -13.809936      0.657779      2.338975
  H     -11.821893      1.877919      1.820914
  H      -9.917408      3.467047      2.146148
  H      -6.506731      1.678294      7.254354
  H     -10.154474     -0.669579      4.896284
  N      -2.259099      2.079893      3.254736
  H      -2.126603      2.471407      2.289649
88
Coordinates from ORCA-job orca E -6669.236778447360
  N      -2.587252      0.005459      5.356882
  Mo     -3.200793      1.853943      4.710656
  N      -4.694504      1.918853      6.212418
  C      -4.164998      2.586331      7.410360
  C      -2.717393      2.169451      7.658469
  N      -1.835226      2.197452      6.423795
  C      -0.825330      1.080371      6.490741
  C      -1.542063     -0.266279      6.318174
  C      -1.137223      3.520731      6.245598
  C      -2.170458      4.588897      5.891195
  N      -3.180960      3.891294      5.118281
  H      -0.830936     -1.021466      5.946784
  H      -1.969031     -0.644011      7.261615
  H      -0.127134      1.244637      5.661839
  H      -0.270113      1.135384      7.445894
  H      -2.621385      5.043874      6.787338
  H      -1.714940      5.400426      5.301286
  H      -0.568195      3.759261      7.158967
  H      -0.433696      3.390477      5.414438
  H      -4.747755      2.294424      8.298434
  H      -4.258250      3.680386      7.312551
  H      -2.714253      1.132838      8.018467
  H      -2.246744      2.801525      8.428182
  C      -4.667512      4.236573     -0.939193
  C      -4.289084      3.266809      0.146185
  O      -3.141374      3.295543      0.638148
  C      -5.310114      2.258849      0.607407
  C      -6.563212      2.138689      0.063260
  C      -7.443262      1.163581      0.544134
  C      -7.069957      0.317502      1.576486
  F      -7.931958     -0.605610      2.014197
  C      -5.829817      0.432988      2.171707
  C      -5.359016     -0.459677      3.245332
  O      -5.788347     -1.571387      3.490791
  N      -4.261947      0.065851      3.990662
  C      -3.499846     -0.728038      4.745873
  C      -4.970067      1.396762      1.643033
  C      -7.644901      9.793460     -1.227548
  C      -7.222193      8.475477     -0.653974
  O      -7.428041      7.428886     -1.251218
  C      -6.523261      8.470086      0.670763
  C      -6.142207      9.637281      1.348912
  C      -5.477066      9.556297      2.565231
  C      -5.184479      8.310944      3.108583
  F      -4.556863      8.298861      4.295680
  C      -5.549902      7.117209      2.465993
  C      -5.284753      5.724046      2.934258
  O      -5.857734      4.771962      2.404240
  N      -4.343054      5.592306      3.961615
  C      -4.061634      4.352314      4.258542
  C      -6.228470      7.240692      1.250233
  C     -13.344130     -0.260262      2.213425
  C     -12.261819     -0.480389      3.253536
  O     -12.279289     -1.442383      4.010658
  C     -11.154364      0.512715      3.337175
  C     -11.105988      1.650792      2.526714
  C     -10.063032      2.546800      2.649664
  C      -9.047759      2.286171      3.579635
  F      -8.056691      3.170793      3.696830
  C      -9.041166      1.144048      4.411568
  C      -7.983765      0.789568      5.450895
  O      -8.240670      0.054786      6.432793
  N      -6.699237      1.251256      5.211874
  C      -6.007116      1.588533      6.252769
  C     -10.127107      0.284615      4.276897
  H      -5.548403      4.824882     -0.634809
  H      -3.817105      4.919899     -1.160642
  H      -4.948622      3.684970     -1.865144
  H      -6.865597      2.800278     -0.741730
  H      -8.415505      1.050926      0.132263
  H      -3.625607     -1.808975      4.826703
  H      -3.977741      1.467776      2.021302
  H      -8.284448     10.338920     -0.530354
  H      -6.766278     10.425625     -1.410848
  H      -8.183372      9.621723     -2.162475
  H      -6.358874     10.617571      0.932019
  H      -5.178688     10.448254      3.111416
  H      -4.620574      3.533258      3.708882
  H      -6.536906      6.331322      0.740776
  H     -14.052998     -1.085805      2.264939
  H     -12.905001     -0.210391      1.195618
  H     -13.884007      0.698766      2.387799
  H     -11.896380      1.854114      1.799698
  H     -10.014740      3.445417      2.048677
  H      -6.492737      1.656265      7.242023
  H     -10.159213     -0.600467      4.924556
  N      -2.246154      2.056078      3.267087
  H      -2.111142      2.433548      2.309558
88
Coordinates from ORCA-job orca E -6669.236619301560
  N      -2.576989      0.014119      5.378914
  Mo     -3.191260      1.859953      4.722581
  N      -4.703484      1.928121      6.219581
  C      -4.182358      2.588104      7.420143
  C      -2.736443      2.169929      7.674815
  N      -1.842873      2.199524      6.442758
  C      -0.829504      1.082408      6.514653
  C      -1.540091     -0.262932      6.339691
  C      -1.144862      3.524905      6.267201
  C      -2.174392      4.594193      5.913644
  N      -3.178253      3.897902      5.133826
  H      -0.831803     -1.021337      5.970217
  H      -1.970904     -0.636856      7.282544
  H      -0.123824      1.247282      5.688884
  H      -0.283252      1.142725      7.468371
  H      -2.630745      5.050467      6.808538
  H      -1.714463      5.405315      5.326474
  H      -0.582932      3.763081      7.181872
  H      -0.434398      3.392611      5.438970
  H      -4.772962      2.295558      8.305227
  H      -4.272778      3.682249      7.324142
  H      -2.734571      1.132069      8.032807
  H      -2.268939      2.799184      8.446103
  C      -4.745746      4.231729     -0.994323
  C      -4.352455      3.272197      0.099536
  O      -3.242624      3.320726      0.615071
  C      -5.343708      2.246806      0.551378
  C      -6.636414      2.086894      0.005862
  C      -7.505068      1.089509      0.495763
  C      -7.097889      0.260665      1.540308
  F      -7.957431     -0.687752      1.985626
  C      -5.831221      0.414875      2.140323
  C      -5.352390     -0.459932      3.231695
  O      -5.777481     -1.584117      3.475175
  N      -4.246544      0.083151      3.995737
  C      -3.491498     -0.713614      4.758950
  C      -4.972497      1.400067      1.597459
  C      -7.561416      9.847078     -1.243767
  C      -7.153851      8.517924     -0.668783
  O      -7.345100      7.474862     -1.280305
  C      -6.485804      8.492836      0.669645
  C      -6.122138      9.650944      1.371141
  C      -5.482699      9.555607      2.598916
  C      -5.198251      8.303723      3.129584
  F      -4.594322      8.276504      4.328205
  C      -5.545834      7.117598      2.463133
  C      -5.281384      5.724084      2.921940
  O      -5.833598      4.770839      2.357370
  N      -4.350221      5.597505      3.968958
  C      -4.051170      4.360748      4.269972
  C      -6.199984      7.254887      1.236169
  C     -13.318261     -0.302635      2.251317
  C     -12.231841     -0.523631      3.269467
  O     -12.243153     -1.507368      3.998313
  C     -11.129959      0.491994      3.365365
  C     -11.088862      1.645712      2.588964
  C     -10.051192      2.562874      2.711915
  C      -9.040267      2.314360      3.602010
  F      -8.065179      3.251461      3.697866
  C      -9.030562      1.164002      4.396835
  C      -7.964201      0.799841      5.414703
  O      -8.188559      0.073522      6.334551
  N      -6.699316      1.273519      5.195437
  C      -6.015944      1.607970      6.249705
  C     -10.106526      0.279114      4.265933
  H      -5.647100      4.795165     -0.715129
  H      -3.925181      4.928071     -1.194417
  H      -4.989192      3.687194     -1.914159
  H      -6.978709      2.735715     -0.803865
  H      -8.515173      0.945734      0.085948
  H      -3.624180     -1.801817      4.833745
  H      -3.945411      1.500064      1.969733
  H      -8.221560     10.389765     -0.555723
  H      -6.678823     10.482226     -1.402890
  H      -8.072661      9.685411     -2.194694
  H      -6.334505     10.636169      0.964154
  H      -5.198994     10.440274      3.163439
  H      -4.613426      3.533569      3.713116
  H      -6.494436      6.352722      0.706746
  H     -14.029012     -1.138638      2.287601
  H     -12.888673     -0.225674      1.241966
  H     -13.851031      0.635711      2.448512
  H     -11.877300      1.842546      1.887805
  H     -10.010199      3.478976      2.126664
  H      -6.507692      1.678400      7.236369
  H     -10.133175     -0.615728      4.887323
  N      -2.223927      2.063015      3.279641
  H      -2.075922      2.428990      2.336483
88
Coordinates from ORCA-job orca E -6669.236104755895
  N      -2.579475      0.024822      5.372482
  Mo     -3.196499      1.861051      4.709444
  N      -4.699607      1.936948      6.212276
  C      -4.168897      2.605886      7.404329
  C      -2.721577      2.189583      7.654355
  N      -1.838782      2.212609      6.418302
  C      -0.826585      1.101906      6.491924
  C      -1.536639     -0.236943      6.329659
  C      -1.146736      3.532156      6.227942
  C      -2.176779      4.594656      5.871579
  N      -3.184377      3.895510      5.104348
  H      -0.827078     -0.992358      5.963178
  H      -1.961100     -0.602299      7.276061
  H      -0.126885      1.260381      5.663546
  H      -0.277918      1.164150      7.439734
  H      -2.626738      5.055086      6.764965
  H      -1.722679      5.400151      5.276830
  H      -0.580474      3.775233      7.137968
  H      -0.443333      3.396067      5.398356
  H      -4.751282      2.319029      8.294425
  H      -4.263066      3.695190      7.300301
  H      -2.718427      1.158743      8.020532
  H      -2.247903      2.823250      8.416731
  C      -4.786759      4.182373     -0.904436
  C      -4.411112      3.220534      0.186928
  O      -3.303562      3.249697      0.732390
  C      -5.401825      2.207761      0.609206
  C      -6.713358      2.048386      0.044633
  C      -7.561454      1.059876      0.511597
  C      -7.129368      0.234678      1.554426
  F      -7.971572     -0.707155      1.985431
  C      -5.846890      0.389344      2.167606
  C      -5.340815     -0.474226      3.262677
  O      -5.731520     -1.592798      3.520125
  N      -4.250066      0.078743      4.002937
  C      -3.491564     -0.711993      4.765268
  C      -5.009585      1.368443      1.648156
  C      -7.554587      9.923174     -1.251715
  C      -7.160135      8.575998     -0.678527
  O      -7.374761      7.530641     -1.292407
  C      -6.482674      8.536273      0.661768
  C      -6.098383      9.691508      1.365384
  C      -5.450497      9.581821      2.594309
  C      -5.177449      8.318016      3.122547
  F      -4.561488      8.275516      4.322418
  C      -5.544567      7.135373      2.454498
  C      -5.286702      5.734354      2.913423
  O      -5.851913      4.789893      2.349212
  N      -4.350357      5.599296      3.949491
  C      -4.060203      4.358047      4.246372
  C      -6.208198      7.287241      1.227794
  C     -13.281376     -0.290396      2.153174
  C     -12.230240     -0.536330      3.214909
  O     -12.284796     -1.548534      3.965533
  C     -11.105414      0.466719      3.346136
  C     -11.022451      1.644859      2.554354
  C      -9.959590      2.545403      2.717943
  C      -8.971387      2.260971      3.657241
  F      -7.969655      3.192224      3.782485
  C      -9.016805      1.103540      4.453055
  C      -8.000255      0.755760      5.472112
  O      -8.297553     -0.008578      6.436458
  N      -6.701920      1.263105      5.217685
  C      -6.009720      1.614962      6.259324
  C     -10.107267      0.228688      4.290821
  H      -5.696159      4.753327     -0.645047
  H      -3.963801      4.863146     -1.074734
  H      -5.012170      3.643424     -1.836642
  H      -7.069922      2.693641     -0.762671
  H      -8.581445      0.916035      0.088870
  H      -3.624499     -1.801542      4.849840
  H      -3.978799      1.469653      2.033331
  H      -8.205706     10.480887     -0.551454
  H      -6.660746     10.541123     -1.415195
  H      -8.075983      9.777814     -2.205619
  H      -6.300247     10.685349      0.959576
  H      -5.150274     10.463587      3.160621
  H      -4.628762      3.533661      3.697165
  H      -6.517846      6.387976      0.697826
  H     -14.012059     -1.118578      2.169562
  H     -12.820373     -0.221747      1.147515
  H     -13.802235      0.665317      2.335847
  H     -11.792697      1.868240      1.813650
  H      -9.881955      3.472911      2.130386
  H      -6.491215      1.688075      7.252929
  H     -10.170270     -0.664977      4.910196
  N      -2.245017      2.061204      3.255797
  H      -2.116123      2.430980      2.299682
88
Coordinates from ORCA-job orca E -6669.236206613100
  N      -2.577264      0.014807      5.365677
  Mo     -3.203827      1.851173      4.709158
  N      -4.694436      1.921645      6.216731
  C      -4.154867      2.589926      7.406711
  C      -2.705270      2.176931      7.649088
  N      -1.832285      2.203702      6.406747
  C      -0.816074      1.097657      6.472760
  C      -1.522647     -0.244563      6.317813
  C      -1.145069      3.525931      6.211484
  C      -2.182320      4.585525      5.863967
  N      -3.193226      3.884922      5.101752
  H      -0.814027     -0.998700      5.945287
  H      -1.937282     -0.611255      7.271951
  H      -0.124443      1.258453      5.638053
  H      -0.256915      1.167188      7.418125
  H      -2.626478      5.042867      6.760188
  H      -1.733495      5.393873      5.265518
  H      -0.571641      3.770859      7.118801
  H      -0.447216      3.392649      5.377303
  H      -4.730389      2.302553      8.300933
  H      -4.251183      3.680556      7.301620
  H      -2.695610      1.145670      8.016033
  H      -2.228567      2.812704      8.409293
  C      -4.715798      4.171878     -0.900849
  C      -4.334423      3.214718      0.185861
  O      -3.184020      3.257629      0.703112
  C      -5.346205      2.203179      0.639426
  C      -6.618527      2.068881      0.084908
  C      -7.477566      1.094699      0.553095
  C      -7.079007      0.257145      1.587383
  F      -7.925636     -0.669315      2.014371
  C      -5.828482      0.387430      2.194987
  C      -5.343289     -0.486061      3.282632
  O      -5.740242     -1.604897      3.539946
  N      -4.258205      0.063624      4.009613
  C      -3.494233     -0.725109      4.763746
  C      -4.989840      1.351026      1.676693
  C      -7.650227      9.841683     -1.243581
  C      -7.240351      8.503131     -0.668487
  O      -7.453066      7.451005     -1.276324
  C      -6.548261      8.482155      0.665990
  C      -6.167381      9.652287      1.355862
  C      -5.506183      9.564407      2.581091
  C      -5.217508      8.307172      3.120490
  F      -4.591678      8.288971      4.317673
  C      -5.581911      7.108546      2.465569
  C      -5.313737      5.711909      2.934459
  O      -5.874782      4.756371      2.393936
  N      -4.366847      5.587150      3.959687
  C      -4.077652      4.346996      4.253068
  C      -6.257340      7.239804      1.241143
  C     -13.286028     -0.171190      2.116036
  C     -12.234441     -0.431132      3.170405
  O     -12.289720     -1.379184      3.876054
  C     -11.110916      0.538645      3.318588
  C     -11.023303      1.712723      2.541354
  C      -9.955420      2.581039      2.727230
  C      -8.960848      2.260744      3.682228
  F      -7.947915      3.120258      3.856633
  C      -9.010912      1.109644      4.460212
  C      -8.005088      0.754003      5.468743
  O      -8.315717      0.007983      6.398688
  N      -6.695178      1.256715      5.219176
  C      -6.008718      1.598428      6.263543
  C     -10.106685      0.266363      4.277336
  H      -5.609823      4.751885     -0.615954
  H      -3.878938      4.858605     -1.103380
  H      -4.972192      3.614852     -1.824610
  H      -6.943630      2.723012     -0.721510
  H      -8.464868      0.971023      0.134850
  H      -3.617095     -1.814027      4.847987
  H      -3.990781      1.427992      2.057898
  H      -8.298896     10.395396     -0.539163
  H      -6.760527     10.470687     -1.421511
  H      -8.181520      9.682733     -2.191174
  H      -6.383261     10.641383      0.941322
  H      -5.208494     10.458638      3.137013
  H      -4.648632      3.523597      3.706213
  H      -6.563271      6.329021      0.720353
  H     -14.009820     -0.985630      2.125749
  H     -12.825301     -0.096203      1.118041
  H     -13.811592      0.784168      2.301541
  H     -11.796632      1.959357      1.794250
  H      -9.868368      3.498802      2.156028
  H      -6.494162      1.667392      7.253995
  H     -10.173958     -0.630630      4.887202
  N      -2.266603      2.057969      3.251811
  H      -2.144751      2.436972      2.279771
88
Coordinates from ORCA-job orca E -6669.235727116133
  N      -2.575964      0.009357      5.371411
  Mo     -3.200312      1.849069      4.712046
  N      -4.701949      1.919233      6.212879
  C      -4.172628      2.586018      7.409350
  C      -2.723848      2.173909      7.657733
  N      -1.840020      2.202256      6.418858
  C      -0.821272      1.094651      6.491233
  C      -1.528574     -0.255684      6.328481
  C      -1.149174      3.529189      6.230527
  C      -2.185623      4.589737      5.877619
  N      -3.193805      3.886277      5.109601
  H      -0.816689     -1.011154      5.957646
  H      -1.951278     -0.628675      7.277667
  H      -0.121935      1.257156      5.659717
  H      -0.269070      1.164571      7.443959
  H      -2.635867      5.047567      6.773631
  H      -1.734043      5.400464      5.282313
  H      -0.581261      3.775139      7.142158
  H      -0.444743      3.396629      5.398136
  H      -4.754162      2.294388      8.299419
  H      -4.268671      3.679808      7.309881
  H      -2.716906      1.139370      8.020975
  H      -2.251905      2.809572      8.423960
  C      -4.729592      4.210378     -0.940433
  C      -4.341218      3.253475      0.144086
  O      -3.256926      3.308223      0.630682
  C      -5.330315      2.227263      0.609207
  C      -6.587985      2.087669      0.072241
  C      -7.452558      1.098813      0.556858
  C      -7.057766      0.258563      1.588590
  F      -7.911497     -0.678561      2.028700
  C      -5.813246      0.393769      2.180611
  C      -5.336472     -0.482899      3.265067
  O      -5.751052     -1.606295      3.516141
  N      -4.247833      0.062175      4.005661
  C      -3.488335     -0.725321      4.763099
  C      -4.971976      1.369102      1.646577
  C      -7.585597      9.850567     -1.227784
  C      -7.187169      8.517776     -0.660300
  O      -7.400520      7.475930     -1.269908
  C      -6.505161      8.491125      0.670795
  C      -6.126483      9.654362      1.363684
  C      -5.474539      9.562968      2.585280
  C      -5.192952      8.310471      3.118754
  F      -4.575509      8.289098      4.311866
  C      -5.556307      7.118305      2.461078
  C      -5.295036      5.723778      2.925183
  O      -5.856688      4.772104      2.382895
  N      -4.357639      5.591907      3.956549
  C      -4.073536      4.350688      4.254251
  C      -6.222048      7.252139      1.239356
  C     -13.321628     -0.262528      2.197445
  C     -12.242865     -0.487118      3.228886
  O     -12.253080     -1.485472      3.974754
  C     -11.139711      0.514770      3.335147
  C     -11.097707      1.673162      2.547437
  C     -10.061119      2.578071      2.680111
  C      -9.046565      2.309047      3.596597
  F      -8.071016      3.209526      3.712664
  C      -9.032993      1.145359      4.411420
  C      -7.974001      0.779367      5.438044
  O      -8.212714      0.046647      6.372331
  N      -6.701482      1.262099      5.201017
  C      -6.015598      1.595069      6.248816
  C     -10.112968      0.278407      4.264880
  H      -5.613112      4.770292     -0.653450
  H      -3.913724      4.910583     -1.158555
  H      -4.980810      3.661069     -1.843278
  H      -6.917967      2.744476     -0.729895
  H      -8.435780      0.971712      0.152074
  H      -3.610930     -1.809711      4.849653
  H      -3.974962      1.450228      2.017605
  H      -8.228905     10.394246     -0.530422
  H      -6.694730     10.480208     -1.399551
  H      -8.110913      9.694986     -2.172687
  H      -6.336804     10.640142      0.952589
  H      -5.178038     10.451832      3.143214
  H      -4.643463      3.529164      3.706374
  H      -6.526302      6.345807      0.714356
  H     -14.029824     -1.083599      2.227851
  H     -12.894664     -0.194128      1.201185
  H     -13.847247      0.674481      2.384030
  H     -11.889509      1.885357      1.825734
  H     -10.017617      3.494959      2.090644
  H      -6.503871      1.661024      7.236451
  H     -10.144238     -0.621892      4.893499
  N      -2.255208      2.056462      3.256571
  H      -2.133208      2.432993      2.291914
88
Coordinates from ORCA-job orca E -6669.236061111783
  N      -2.572738      0.016801      5.383337
  Mo     -3.193511      1.854214      4.714899
  N      -4.705127      1.932296      6.207181
  C      -4.181181      2.602443      7.404023
  C      -2.734230      2.188319      7.660125
  N      -1.842655      2.211932      6.426622
  C      -0.824299      1.103149      6.506951
  C      -1.532794     -0.244716      6.343657
  C      -1.150573      3.536623      6.238903
  C      -2.184404      4.596696      5.877914
  N      -3.188508      3.892604      5.106282
  H      -0.819960     -1.000963      5.979178
  H      -1.960324     -0.613564      7.287437
  H      -0.120489      1.261253      5.679170
  H      -0.277687      1.173295      7.459646
  H      -2.640002      5.057451      6.770887
  H      -1.729628      5.404920      5.284297
  H      -0.588905      3.783894      7.152124
  H      -0.441473      3.401211      5.411248
  H      -4.767099      2.314096      8.292119
  H      -4.275109      3.694447      7.302089
  H      -2.730144      1.154966      8.026387
  H      -2.266610      2.824890      8.426222
  C      -4.754333      4.200516     -0.957726
  C      -4.357598      3.234312      0.131512
  O      -3.197091      3.280580      0.657933
  C      -5.358751      2.211868      0.576185
  C      -6.667484      2.054537      0.026328
  C      -7.536247      1.057678      0.509938
  C      -7.112192      0.229486      1.553789
  F      -7.972913     -0.715426      1.998267
  C      -5.825683      0.383621      2.156036
  C      -5.331280     -0.479936      3.256874
  O      -5.743142     -1.604619      3.508937
  N      -4.239811      0.066837      4.006596
  C      -3.481867     -0.719470      4.773062
  C      -4.971375      1.367316      1.618406
  C      -7.535638      9.916644     -1.215956
  C      -7.140385      8.576730     -0.658000
  O      -7.349913      7.546086     -1.277830
  C      -6.471183      8.530223      0.677311
  C      -6.098913      9.677773      1.386969
  C      -5.458796      9.566021      2.610752
  C      -5.182800      8.308788      3.128640
  F      -4.576405      8.264324      4.323946
  C      -5.539159      7.133860      2.454582
  C      -5.279317      5.736028      2.905051
  O      -5.841525      4.793622      2.339399
  N      -4.346368      5.598053      3.943924
  C      -4.064677      4.357023      4.246139
  C      -6.193643      7.286597      1.232023
  C     -13.321756     -0.322493      2.229167
  C     -12.247457     -0.533741      3.264839
  O     -12.276338     -1.530470      4.024586
  C     -11.135943      0.475726      3.357760
  C     -11.082815      1.616541      2.564602
  C     -10.042200      2.531900      2.679377
  C      -9.041123      2.296054      3.576791
  F      -8.063916      3.231695      3.658686
  C      -9.038465      1.147273      4.400866
  C      -7.977940      0.795942      5.432877
  O      -8.217198      0.058330      6.395687
  N      -6.705326      1.273193      5.193909
  C      -6.017168      1.613803      6.241179
  C     -10.123857      0.271298      4.268450
  H      -5.660684      4.765675     -0.665373
  H      -3.923282      4.895554     -1.148717
  H      -5.002956      3.659482     -1.892629
  H      -7.017366      2.702031     -0.780960
  H      -8.551138      0.915764      0.095991
  H      -3.605544     -1.804638      4.863391
  H      -3.939857      1.464201      1.996864
  H      -8.185863     10.456385     -0.519483
  H      -6.646152     10.541267     -1.372623
  H      -8.051620      9.774550     -2.166605
  H      -6.304519     10.666924      0.988019
  H      -5.167105     10.442038      3.181742
  H      -4.633161      3.535149      3.698832
  H      -6.492625      6.391799      0.694872
  H     -14.040438     -1.149920      2.268883
  H     -12.886389     -0.265103      1.228773
  H     -13.843944      0.616534      2.405815
  H     -11.867052      1.810126      1.851168
  H      -9.996502      3.439871      2.079510
  H      -6.505173      1.687385      7.229084
  H     -10.162662     -0.612905      4.901193
  N      -2.241190      2.056050      3.263020
  H      -2.118268      2.424911      2.310108
88
Coordinates from ORCA-job orca E -6669.238850107021
  N      -2.560040      0.014362      5.387345
  Mo     -3.194012      1.843049      4.710022
  N      -4.695677      1.922564      6.207526
  C      -4.163667      2.601130      7.394523
  C      -2.711866      2.196409      7.646148
  N      -1.832253      2.217067      6.408732
  C      -0.809305      1.116776      6.491352
  C      -1.508711     -0.230946      6.344762
  C      -1.150535      3.541340      6.206250
  C      -2.192262      4.593142      5.844859
  N      -3.197587      3.881377      5.084314
  H      -0.792718     -0.983422      5.981753
  H      -1.925991     -0.593628      7.297188
  H      -0.113599      1.271913      5.659829
  H      -0.257212      1.197380      7.437945
  H      -2.642552      5.055969      6.735647
  H      -1.745726      5.398975      5.242888
  H      -0.583598      3.796290      7.113712
  H      -0.448046      3.404591      5.377003
  H      -4.742210      2.316207      8.287405
  H      -4.264767      3.690080      7.283311
  H      -2.699853      1.167748      8.020223
  H      -2.241175      2.839682      8.402761
  C      -4.760630      4.145233     -0.889035
  C      -4.382574      3.177665      0.193863
  O      -3.252745      3.205594      0.732256
  C      -5.374147      2.168900      0.628158
  C      -6.668825      2.023288      0.066817
  C      -7.520405      1.042409      0.538890
  C      -7.104612      0.209427      1.578694
  F      -7.948404     -0.724103      2.011718
  C      -5.833162      0.351210      2.188637
  C      -5.332284     -0.513582      3.284239
  O      -5.721268     -1.626835      3.549576
  N      -4.241277      0.044994      4.018695
  C      -3.470874     -0.735074      4.786813
  C      -4.996534      1.321957      1.664814
  C      -7.606969      9.940683     -1.231205
  C      -7.202610      8.587418     -0.675155
  O      -7.418712      7.547051     -1.300844
  C      -6.517347      8.537438      0.664357
  C      -6.137634      9.690517      1.379264
  C      -5.484231      9.574349      2.608286
  C      -5.203050      8.305249      3.126140
  F      -4.584792      8.256921      4.328136
  C      -5.566491      7.124336      2.446866
  C      -5.304029      5.719399      2.896953
  O      -5.871092      4.775074      2.329933
  N      -4.363338      5.581553      3.928636
  C      -4.080510      4.339279      4.229245
  C      -6.232902      7.282767      1.219035
  C     -13.292999     -0.215164      2.124571
  C     -12.241418     -0.474512      3.185973
  O     -12.302481     -1.442996      3.904368
  C     -11.112624      0.510697      3.323380
  C     -11.016922      1.692922      2.535193
  C      -9.938359      2.574786      2.716347
  C      -8.949915      2.261824      3.670706
  F      -7.922559      3.148070      3.837918
  C      -9.013132      1.111119      4.450120
  C      -8.002042      0.753888      5.466880
  O      -8.305253      0.006510      6.413292
  N      -6.699927      1.252964      5.212772
  C      -6.007556      1.599973      6.256260
  C     -10.114690      0.250854      4.276507
  H      -5.658550      4.722698     -0.613829
  H      -3.937780      4.826005     -1.072150
  H      -5.004067      3.603750     -1.815870
  H      -7.009048      2.674963     -0.739488
  H      -8.523830      0.909258      0.119097
  H      -3.591984     -1.825432      4.881146
  H      -3.979644      1.407977      2.047081
  H      -8.258696     10.486722     -0.518224
  H      -6.717423     10.566191     -1.394283
  H      -8.134640      9.802023     -2.185877
  H      -6.347773     10.688035      0.982308
  H      -5.187342     10.454495      3.183278
  H      -4.652071      3.515495      3.688462
  H      -6.536471      6.385082      0.678859
  H     -14.023419     -1.050524      2.148054
  H     -12.822111     -0.144824      1.096388
  H     -13.824887      0.766371      2.314707
  H     -11.783510      1.931523      1.789986
  H      -9.845504      3.498629      2.136865
  H      -6.489440      1.674743      7.249820
  H     -10.186154     -0.649198      4.893296
  N      -2.256534      2.044068      3.251652
  H      -2.145363      2.413360      2.288594
88
Coordinates from ORCA-job orca E -6669.238470825210
  N      -2.569710      0.008751      5.372150
  Mo     -3.204114      1.839314      4.702976
  N      -4.699733      1.917048      6.204422
  C      -4.167003      2.591376      7.394918
  C      -2.716727      2.185083      7.640122
  N      -1.839188      2.208952      6.398473
  C      -0.817566      1.108966      6.474815
  C      -1.517861     -0.241620      6.325687
  C      -1.156633      3.534902      6.198630
  C      -2.197039      4.587170      5.842768
  N      -3.204627      3.877116      5.084038
  H      -0.806435     -0.995151      5.956931
  H      -1.933057     -0.608133      7.279250
  H      -0.123846      1.266083      5.639685
  H      -0.263385      1.189297      7.422847
  H      -2.644636      5.048984      6.736943
  H      -1.751052      5.394596      5.240946
  H      -0.588026      3.789173      7.106396
  H      -0.455488      3.399537      5.365630
  H      -4.743323      2.302222      8.288866
  H      -4.266974      3.682824      7.290716
  H      -2.705159      1.154153      8.008919
  H      -2.244351      2.826073      8.400425
  C      -4.700618      4.161247     -0.892100
  C      -4.303508      3.203033      0.191982
  O      -3.205873      3.243951      0.688437
  C      -5.315536      2.184269      0.644623
  C      -6.588893      2.054988      0.106987
  C      -7.454770      1.076358      0.582397
  C      -7.057108      0.234562      1.608317
  F      -7.911906     -0.691996      2.043226
  C      -5.808227      0.360288      2.201060
  C      -5.331374     -0.511427      3.285924
  O      -5.746138     -1.632233      3.540344
  N      -4.244335      0.042861      4.016666
  C      -3.480036     -0.736747      4.775030
  C      -4.958773      1.323177      1.673249
  C      -7.629933      9.880700     -1.218785
  C      -7.226254      8.541384     -0.656916
  O      -7.444064      7.495490     -1.271137
  C      -6.536445      8.508159      0.674782
  C      -6.157299      9.670251      1.375317
  C      -5.498736      9.571402      2.597968
  C      -5.210812      8.311783      3.124906
  F      -4.587011      8.284312      4.319398
  C      -5.574352      7.120381      2.458649
  C      -5.307832      5.720330      2.912383
  O      -5.871400      4.769705      2.365219
  N      -4.363126      5.583433      3.936582
  C      -4.091044      4.339799      4.234419
  C      -6.246769      7.262738      1.236898
  C     -13.299696     -0.192467      2.148595
  C     -12.242995     -0.429638      3.192853
  O     -12.280650     -1.398994      3.925597
  C     -11.125371      0.540236      3.319587
  C     -11.050123      1.691476      2.535574
  C      -9.996127      2.568036      2.690945
  C      -8.998274      2.274786      3.628977
  F      -8.003517      3.150366      3.769099
  C      -9.026314      1.129804      4.425856
  C      -8.002784      0.772582      5.440456
  O      -8.295574      0.026876      6.384079
  N      -6.703332      1.260840      5.201308
  C      -6.013173      1.594616      6.245233
  C     -10.112593      0.284438      4.268416
  H      -5.599783      4.732421     -0.580294
  H      -3.862447      4.853689     -1.107767
  H      -4.973133      3.606774     -1.821830
  H      -6.919757      2.716018     -0.689625
  H      -8.449379      0.955862      0.177877
  H      -3.598753     -1.823887      4.871097
  H      -3.952136      1.393515      2.042341
  H      -8.274288     10.424087     -0.513781
  H      -6.740140     10.510621     -1.391822
  H      -8.161177      9.729631     -2.164271
  H      -6.371437     10.660219      0.969710
  H      -5.201340     10.458623      3.161090
  H      -4.668354      3.520868      3.693513
  H      -6.549856      6.358789      0.706015
  H     -14.023647     -0.982606      2.160708
  H     -12.857673     -0.136078      1.177398
  H     -13.807386      0.738407      2.315113
  H     -11.826886      1.918409      1.803474
  H      -9.923688      3.476936      2.110495
  H      -6.497983      1.660606      7.233568
  H     -10.169380     -0.599011      4.885884
  N      -2.272799      2.041692      3.239732
  H      -2.170881      2.416058      2.265868
88
Coordinates from ORCA-job orca E -6669.235716342389
  N      -2.568763      0.013658      5.392931
  Mo     -3.194866      1.845566      4.715290
  N      -4.705880      1.932676      6.207215
  C      -4.179110      2.606617      7.400701
  C      -2.731345      2.196399      7.656233
  N      -1.842045      2.216189      6.419912
  C      -0.821154      1.111612      6.504059
  C      -1.523536     -0.240292      6.350803
  C      -1.154608      3.542819      6.221108
  C      -2.190551      4.597641      5.856777
  N      -3.195350      3.886621      5.092186
  H      -0.811046     -0.997057      5.988082
  H      -1.945601     -0.604349      7.301378
  H      -0.120235      1.267736      5.672551
  H      -0.272896      1.190238      7.455713
  H      -2.643454      5.063420      6.748121
  H      -1.739485      5.403385      5.256372
  H      -0.591395      3.797827      7.131808
  H      -0.447228      3.403228      5.392431
  H      -4.762679      2.320587      8.291283
  H      -4.275482      3.698378      7.294010
  H      -2.724621      1.165548      8.028169
  H      -2.262471      2.837426      8.418278
  C      -4.812014      4.177660     -0.939804
  C      -4.414987      3.211359      0.134738
  O      -3.277288      3.266098      0.628188
  C      -5.392065      2.181286      0.597948
  C      -6.674845      2.021827      0.067003
  C      -7.515237      1.021755      0.554492
  C      -7.080885      0.193700      1.590284
  F      -7.913259     -0.753576      2.037601
  C      -5.821250      0.348919      2.179301
  C      -5.321856     -0.507920      3.280396
  O      -5.726947     -1.637238      3.535455
  N      -4.235828      0.048001      4.021915
  C      -3.477245     -0.728659      4.788906
  C      -4.995166      1.333956      1.635772
  C      -7.518119      9.938067     -1.196010
  C      -7.129950      8.595543     -0.644675
  O      -7.348182      7.565960     -1.265700
  C      -6.459910      8.543906      0.686746
  C      -6.084394      9.691842      1.398074
  C      -5.444227      9.578756      2.618910
  C      -5.171187      8.320082      3.132415
  F      -4.564485      8.277397      4.325962
  C      -5.530779      7.142391      2.455707
  C      -5.274036      5.743402      2.902219
  O      -5.832504      4.804771      2.344088
  N      -4.342013      5.598525      3.934420
  C      -4.073519      4.353481      4.236028
  C      -6.185282      7.297569      1.235474
  C     -13.303526     -0.329268      2.199726
  C     -12.226350     -0.542358      3.238991
  O     -12.244016     -1.538519      3.989137
  C     -11.124287      0.482280      3.337215
  C     -11.091523      1.647592      2.536015
  C     -10.063714      2.568760      2.653897
  C      -9.051806      2.323338      3.559753
  F      -8.099602      3.272998      3.634092
  C      -9.026666      1.152018      4.393606
  C      -7.963801      0.800074      5.419276
  O      -8.184708      0.087079      6.336602
  N      -6.700437      1.280303      5.187194
  C      -6.019351      1.615328      6.238849
  C     -10.101095      0.267353      4.259416
  H      -5.698611      4.729347     -0.645135
  H      -3.999513      4.879588     -1.141796
  H      -5.057580      3.644561     -1.849190
  H      -7.036945      2.667857     -0.736028
  H      -8.514272      0.878249      0.151030
  H      -3.597179     -1.813736      4.886546
  H      -3.980282      1.429580      2.003310
  H      -8.162614     10.475789     -0.496774
  H      -6.625211     10.563911     -1.355337
  H      -8.035238      9.799284     -2.144094
  H      -6.288801     10.682604      1.001606
  H      -5.150312     10.455069      3.191355
  H      -4.652289      3.536000      3.693467
  H      -6.486550      6.402881      0.694739
  H     -14.012873     -1.170231      2.240317
  H     -12.871610     -0.264434      1.189156
  H     -13.830902      0.613234      2.384881
  H     -11.887247      1.853464      1.810036
  H     -10.033319      3.493542      2.049273
  H      -6.509998      1.685692      7.224520
  H     -10.128434     -0.632672      4.894621
  N      -2.254460      2.045209      3.255942
  H      -2.154545      2.417017      2.295966
88
Coordinates from ORCA-job orca E -6669.237398489196
  N      -2.545547      0.013939      5.400081
  Mo     -3.185227      1.840614      4.713562
  N      -4.699585      1.920628      6.198698
  C      -4.176851      2.601346      7.390107
  C      -2.724387      2.201678      7.649327
  N      -1.833975      2.224473      6.416991
  C      -0.803269      1.128358      6.509772
  C      -1.498537     -0.225290      6.363023
  C      -1.155553      3.553004      6.217224
  C      -2.201335      4.599826      5.847123
  N      -3.200059      3.882029      5.081129
  H      -0.775966     -0.975787      6.003726
  H      -1.919241     -0.590147      7.312063
  H      -0.102381      1.283047      5.680482
  H      -0.255955      1.215948      7.460020
  H      -2.660197      5.063239      6.735034
  H      -1.754480      5.407472      5.246875
  H      -0.596193      3.812623      7.128549
  H      -0.445606      3.417315      5.392205
  H      -4.759549      2.313039      8.279861
  H      -4.280989      3.691030      7.280912
  H      -2.710321      1.171239      8.023486
  H      -2.261877      2.847847      8.409248
  C      -4.763407      4.155865     -0.940994
  C      -4.368678      3.184894      0.136766
  O      -3.222163      3.233024      0.651921
  C      -5.358166      2.157632      0.590539
  C      -6.661972      2.000713      0.046823
  C      -7.527925      1.004650      0.539586
  C      -7.106479      0.172175      1.583448
  F      -7.968044     -0.771194      2.039461
  C      -5.814775      0.326982      2.176730
  C      -5.308580     -0.531416      3.280241
  O      -5.695025     -1.647295      3.557488
  N      -4.222941      0.034433      4.020407
  C      -3.450920     -0.741036      4.796310
  C      -4.969412      1.309261      1.630302
  C      -7.568154      9.968151     -1.206344
  C      -7.162708      8.616182     -0.667726
  O      -7.364707      7.594749     -1.309157
  C      -6.496501      8.549347      0.675533
  C      -6.139790      9.688969      1.411752
  C      -5.504927      9.559781      2.642636
  C      -5.219954      8.292470      3.141350
  F      -4.621473      8.229102      4.346082
  C      -5.560364      7.126053      2.441687
  C      -5.290748      5.721591      2.875920
  O      -5.848746      4.779796      2.286465
  N      -4.356582      5.582381      3.916014
  C      -4.081808      4.340240      4.222540
  C      -6.207940      7.295367      1.211563
  C     -13.331557     -0.226791      2.172098
  C     -12.269290     -0.473902      3.224079
  O     -12.331088     -1.464974      3.971507
  C     -11.133577      0.514165      3.335754
  C     -11.036034      1.663515      2.548917
  C      -9.957934      2.550012      2.697097
  C      -8.970613      2.274030      3.618706
  F      -7.943968      3.160052      3.752628
  C      -9.024552      1.134311      4.418066
  C      -7.992872      0.778452      5.441764
  O      -8.277310      0.029435      6.418613
  N      -6.699853      1.262251      5.189895
  C      -6.012363      1.602022      6.237623
  C     -10.139092      0.281761      4.259643
  H      -5.652523      4.723430     -0.651597
  H      -3.944550      4.847741     -1.137873
  H      -5.015791      3.616213     -1.856264
  H      -7.007457      2.652313     -0.758793
  H      -8.538051      0.864666      0.133263
  H      -3.564558     -1.830912      4.895730
  H      -3.947169      1.402483      2.001951
  H      -8.231337     10.495709     -0.498825
  H      -6.680578     10.599148     -1.346760
  H      -8.081231      9.840892     -2.167530
  H      -6.353549     10.686096      1.028617
  H      -5.225174     10.429579      3.234325
  H      -4.652358      3.518622      3.682341
  H      -6.491886      6.406022      0.653341
  H     -14.067518     -1.061557      2.213451
  H     -12.868248     -0.168664      1.142789
  H     -13.860747      0.754317      2.355228
  H     -11.804474      1.879483      1.824136
  H      -9.870264      3.452009      2.111387
  H      -6.500612      1.674536      7.230561
  H     -10.210784     -0.609873      4.886595
  N      -2.246783      2.044165      3.257502
  H      -2.145218      2.412412      2.296634
88
Coordinates from ORCA-job orca E -6669.237753728037
  N      -2.551378      0.006970      5.386829
  Mo     -3.195215      1.830030      4.704082
  N      -4.695031      1.912378      6.200235
  C      -4.164905      2.593437      7.387152
  C      -2.711239      2.195713      7.635171
  N      -1.832084      2.217287      6.395425
  C      -0.802497      1.123527      6.480611
  C      -1.495331     -0.232293      6.340848
  C      -1.156286      3.546048      6.187538
  C      -2.203178      4.591363      5.824059
  N      -3.207799      3.872403      5.069078
  H      -0.778654     -0.984715      5.976653
  H      -1.907969     -0.595739      7.297200
  H      -0.108901      1.278914      5.645417
  H      -0.249223      1.213991      7.427502
  H      -2.653716      5.056676      6.714720
  H      -1.760612      5.397943      5.217372
  H      -0.589791      3.808565      7.093847
  H      -0.453650      3.409452      5.356400
  H      -4.740597      2.304307      8.281703
  H      -4.270580      3.684170      7.278952
  H      -2.694674      1.166208      8.009429
  H      -2.242868      2.842721      8.391889
  C      -4.741252      4.114355     -0.862185
  C      -4.330494      3.148160      0.220018
  O      -3.203306      3.169212      0.740327
  C      -5.332375      2.142801      0.656545
  C      -6.622361      2.014895      0.108974
  C      -7.478398      1.041239      0.578267
  C      -7.067800      0.202034      1.606264
  F      -7.916792     -0.722261      2.037064
  C      -5.802986      0.329827      2.206969
  C      -5.315690     -0.532740      3.299327
  O      -5.721582     -1.649447      3.558545
  N      -4.229454      0.025343      4.028276
  C      -3.458343     -0.745049      4.794607
  C      -4.960077      1.287621      1.682127
  C      -7.618855      9.947078     -1.216704
  C      -7.217510      8.595337     -0.663249
  O      -7.439554      7.550782     -1.287489
  C      -6.528062      8.547827      0.673909
  C      -6.148917      9.704437      1.389897
  C      -5.492015      9.590093      2.618570
  C      -5.205762      8.319545      3.135427
  F      -4.584251      8.276099      4.336669
  C      -5.568564      7.134123      2.452983
  C      -5.303960      5.725433      2.893946
  O      -5.870231      4.780674      2.329099
  N      -4.361431      5.578249      3.919651
  C      -4.095784      4.332468      4.219282
  C      -6.239047      7.291790      1.226527
  C     -13.302965     -0.207837      2.133757
  C     -12.245752     -0.446420      3.181627
  O     -12.286517     -1.396328      3.900098
  C     -11.130333      0.533958      3.305889
  C     -11.056604      1.705717      2.509873
  C      -9.996630      2.596234      2.668136
  C      -8.997504      2.290474      3.620468
  F      -7.990501      3.175515      3.772996
  C      -9.028662      1.130033      4.421149
  C      -7.999885      0.761221      5.449515
  O      -8.290179     -0.000661      6.414090
  N      -6.703708      1.252124      5.202503
  C      -6.007219      1.589933      6.244849
  C     -10.116638      0.271628      4.263355
  H      -5.649363      4.684350     -0.549481
  H      -3.911848      4.800631     -1.064157
  H      -5.013024      3.572339     -1.805423
  H      -6.962586      2.674544     -0.686648
  H      -8.481306      0.921097      0.168357
  H      -3.571186     -1.829184      4.899388
  H      -3.942969      1.356715      2.053312
  H      -8.265241     10.488723     -0.503182
  H      -6.729292     10.577331     -1.384323
  H      -8.150255      9.805574     -2.167832
  H      -6.362122     10.702114      0.993504
  H      -5.195332     10.472762      3.193977
  H      -4.676709      3.514305      3.684703
  H      -6.541420      6.392125      0.683996
  H     -14.028453     -1.011027      2.151701
  H     -12.857093     -0.151672      1.141329
  H     -13.815026      0.741934      2.306391
  H     -11.832716      1.939727      1.769957
  H      -9.925138      3.527934      2.074168
  H      -6.488062      1.659428      7.235943
  H     -10.171072     -0.626121      4.889392
  N      -2.268505      2.032006      3.234190
  H      -2.178084      2.403004      2.260120
88
Coordinates from ORCA-job orca E -6669.234978398133
  N      -2.558425      0.010805      5.396281
  Mo     -3.200332      1.829505      4.701713
  N      -4.700461      1.932303      6.197518
  C      -4.164962      2.620931      7.378846
  C      -2.714709      2.219960      7.630625
  N      -1.836915      2.230078      6.389155
  C      -0.812167      1.135368      6.478497
  C      -1.503058     -0.219944      6.348819
  C      -1.162087      3.555968      6.167121
  C      -2.205211      4.597901      5.797025
  N      -3.210883      3.872786      5.049027
  H      -0.790029     -0.973247      5.990430
  H      -1.911958     -0.572211      7.308309
  H      -0.122036      1.285258      5.640093
  H      -0.257078      1.229477      7.423032
  H      -2.652345      5.071846      6.684776
  H      -1.764384      5.397397      5.183500
  H      -0.594092      3.825876      7.070196
  H      -0.461582      3.409582      5.336926
  H      -4.739761      2.344473      8.276261
  H      -4.266746      3.708555      7.257613
  H      -2.700220      1.197156      8.016045
  H      -2.242728      2.871956      8.380640
  C      -4.769903      4.114330     -0.837578
  C      -4.402966      3.141210      0.224813
  O      -3.313535      3.173375      0.728055
  C      -5.390803      2.120133      0.664326
  C      -6.667087      1.970275      0.126464
  C      -7.503686      0.979659      0.599502
  C      -7.076381      0.148864      1.627348
  F      -7.898970     -0.788780      2.062243
  C      -5.828099      0.291396      2.218154
  C      -5.325601     -0.563187      3.313440
  O      -5.723970     -1.689587      3.572179
  N      -4.234920      0.010990      4.041214
  C      -3.466566     -0.750593      4.808803
  C      -5.005014      1.267660      1.690651
  C      -7.583546      9.979274     -1.172495
  C      -7.189035      8.628055     -0.636141
  O      -7.413276      7.595807     -1.266274
  C      -6.505556      8.563830      0.690939
  C      -6.125341      9.707431      1.411506
  C      -5.474191      9.582096      2.628837
  C      -5.195199      8.314165      3.129722
  F      -4.579667      8.261457      4.321875
  C      -5.559155      7.139004      2.442763
  C      -5.299205      5.734316      2.876956
  O      -5.860512      4.802092      2.324145
  N      -4.357416      5.580942      3.895084
  C      -4.098561      4.332850      4.199023
  C      -6.223801      7.308322      1.226152
  C     -13.275312     -0.209998      2.107410
  C     -12.221523     -0.452296      3.165017
  O     -12.265702     -1.443808      3.911291
  C     -11.101062      0.530608      3.299643
  C     -11.030286      1.679588      2.520591
  C      -9.977415      2.546511      2.685482
  C      -8.979242      2.268433      3.613542
  F      -8.000685      3.174678      3.730614
  C      -9.005718      1.135297      4.405173
  C      -7.987172      0.794449      5.407096
  O      -8.262488      0.076998      6.313745
  N      -6.696732      1.279863      5.183498
  C      -6.015562      1.617118      6.235403
  C     -10.089656      0.288028      4.244035
  H      -5.661539      4.686296     -0.541039
  H      -3.940981      4.804934     -1.019892
  H      -5.017687      3.576661     -1.765310
  H      -7.020553      2.620653     -0.672831
  H      -8.498475      0.841990      0.190791
  H      -3.580918     -1.839890      4.915793
  H      -3.993593      1.353962      2.061595
  H      -8.225144     10.513165     -0.461622
  H      -6.692272     10.605867     -1.332609
  H      -8.108656      9.850022     -2.118745
  H      -6.334759     10.704152      1.026245
  H      -5.177219     10.454023      3.207971
  H      -4.684985      3.515645      3.667309
  H      -6.528036      6.419497      0.678549
  H     -13.996669     -1.031196      2.133491
  H     -12.823162     -0.149996      1.111494
  H     -13.791196      0.735543      2.281900
  H     -11.810520      1.904891      1.783429
  H      -9.908288      3.445871      2.111194
  H      -6.504293      1.691618      7.218803
  H     -10.148192     -0.583382      4.850239
  N      -2.280174      2.017345      3.229566
  H      -2.210935      2.383207      2.260425
88
Coordinates from ORCA-job orca E -6669.239046195617
  N      -2.547421      0.011879      5.407230
  Mo     -3.187921      1.835591      4.715560
  N      -4.706326      1.920843      6.196182
  C      -4.185444      2.602060      7.388695
  C      -2.733997      2.203571      7.649706
  N      -1.840742      2.225250      6.417917
  C      -0.808805      1.131564      6.515013
  C      -1.501024     -0.224576      6.370253
  C      -1.163928      3.554950      6.216286
  C      -2.209283      4.598659      5.842471
  N      -3.206481      3.878434      5.076809
  H      -0.777436     -0.974453      6.012174
  H      -1.921501     -0.589334      7.320068
  H      -0.106594      1.285362      5.685642
  H      -0.263528      1.222923      7.466639
  H      -2.669548      5.063860      6.729084
  H      -1.763025      5.405504      5.241354
  H      -0.606679      3.817609      7.128289
  H      -0.452196      3.417931      5.392109
  H      -4.768733      2.312675      8.277889
  H      -4.290546      3.691900      7.280195
  H      -2.720026      1.173811      8.024757
  H      -2.272773      2.851183      8.410035
  C      -4.789230      4.155889     -0.986035
  C      -4.363815      3.191304      0.088262
  O      -3.215866      3.259145      0.557161
  C      -5.347618      2.146451      0.575780
  C      -6.642049      1.981925      0.060719
  C      -7.503255      0.976777      0.572092
  C      -7.076916      0.147036      1.611352
  F      -7.932430     -0.802026      2.084365
  C      -5.799704      0.307762      2.183218
  C      -5.299573     -0.546096      3.287697
  O      -5.689697     -1.667813      3.569087
  N      -4.219277      0.028074      4.027126
  C      -3.450697     -0.743887      4.804368
  C      -4.956431      1.295225      1.617652
  C      -7.545026      9.977383     -1.186071
  C      -7.141145      8.628167     -0.655865
  O      -7.339214      7.613692     -1.303029
  C      -6.484179      8.555435      0.687267
  C      -6.138836      9.691043      1.432903
  C      -5.513397      9.558800      2.663707
  C      -5.225970      8.293456      3.153379
  F      -4.637368      8.228165      4.358990
  C      -5.554619      7.129772      2.443522
  C      -5.280703      5.725996      2.868934
  O      -5.830315      4.784103      2.271871
  N      -4.351896      5.584441      3.911809
  C      -4.086825      4.340396      4.218466
  C      -6.193419      7.302332      1.213102
  C     -13.330719     -0.241701      2.192091
  C     -12.264985     -0.482434      3.238083
  O     -12.320224     -1.479991      3.992520
  C     -11.132618      0.513343      3.341150
  C     -11.048356      1.683256      2.535531
  C      -9.981696      2.580885      2.667605
  C      -8.987722      2.300741      3.591775
  F      -7.979863      3.200273      3.704972
  C      -9.024502      1.139812      4.412733
  C      -7.988031      0.786506      5.430173
  O      -8.257271      0.062703      6.372531
  N      -6.703240      1.269346      5.182455
  C      -6.019468      1.604867      6.230050
  C     -10.130204      0.274299      4.270555
  H      -5.673557      4.711568     -0.670350
  H      -3.974121      4.862436     -1.212330
  H      -5.060703      3.611720     -1.891124
  H      -6.996657      2.631535     -0.742400
  H      -8.510757      0.831581      0.183662
  H      -3.563722     -1.834304      4.907843
  H      -3.938310      1.390870      1.973951
  H      -8.210360     10.495233     -0.482032
  H      -6.656631     10.612498     -1.318388
  H      -8.051582      9.854315     -2.148406
  H      -6.355291     10.687138      1.055963
  H      -5.242858     10.425268      3.262810
  H      -4.663639      3.522401      3.680385
  H      -6.468101      6.415980      0.645922
  H     -14.063405     -1.055520      2.227855
  H     -12.885679     -0.188650      1.193506
  H     -13.844134      0.712948      2.365249
  H     -11.823117      1.903166      1.806893
  H      -9.905064      3.498301      2.068619
  H      -6.509882      1.674782      7.220253
  H     -10.193772     -0.633755      4.910599
  N      -2.254822      2.036718      3.260674
  H      -2.162441      2.405237      2.295877
88
Coordinates from ORCA-job orca E -6669.237028714020
  N      -2.537057      0.007212      5.406914
  Mo     -3.182136      1.826682      4.712920
  N      -4.694708      1.916801      6.196209
  C      -4.171882      2.600958      7.385226
  C      -2.718903      2.205339      7.643079
  N      -1.829551      2.224837      6.408697
  C      -0.796288      1.133221      6.503127
  C      -1.485301     -0.225381      6.365047
  C      -1.155949      3.555140      6.198080
  C      -2.203588      4.596695      5.824193
  N      -3.202680      3.872442      5.065729
  H      -0.765832     -0.978906      6.006950
  H      -1.900915     -0.584100      7.320855
  H      -0.098506      1.287343      5.669944
  H      -0.247437      1.229956      7.451726
  H      -2.660464      5.066353      6.710560
  H      -1.758765      5.401459      5.216080
  H      -0.595690      3.823858      7.106450
  H      -0.447114      3.415075      5.371732
  H      -4.753119      2.314146      8.277768
  H      -4.277437      3.691590      7.273245
  H      -2.702002      1.176104      8.021564
  H      -2.257288      2.855513      8.400958
  C      -4.827709      4.099174     -0.889190
  C      -4.407198      3.134441      0.189128
  O      -3.247432      3.175789      0.708040
  C      -5.382386      2.120496      0.640418
  C      -6.679505      1.975177      0.099366
  C      -7.515040      0.990775      0.577873
  C      -7.077498      0.158879      1.610820
  F      -7.910447     -0.776379      2.053008
  C      -5.800142      0.304628      2.206145
  C      -5.290898     -0.547123      3.307414
  O      -5.680760     -1.664373      3.572348
  N      -4.210888      0.013143      4.039210
  C      -3.438342     -0.750862      4.813749
  C      -4.979590      1.274024      1.669628
  C      -7.569725      9.995155     -1.196492
  C      -7.170469      8.637833     -0.657986
  O      -7.384694      7.605704     -1.296800
  C      -6.493351      8.573907      0.682254
  C      -6.126859      9.721775      1.415143
  C      -5.482655      9.595210      2.646772
  C      -5.196949      8.321494      3.149186
  F      -4.590119      8.264705      4.355165
  C      -5.546276      7.145393      2.450017
  C      -5.281082      5.734146      2.879497
  O      -5.841374      4.794374      2.300998
  N      -4.343086      5.581097      3.909607
  C      -4.087418      4.334082      4.212210
  C      -6.203656      7.313672      1.220651
  C     -13.304366     -0.233089      2.145871
  C     -12.237551     -0.458596      3.187079
  O     -12.269928     -1.422940      3.919816
  C     -11.127206      0.527725      3.299005
  C     -11.063206      1.671080      2.513779
  C     -10.009741      2.568489      2.651666
  C      -9.009791      2.301600      3.570610
  F      -8.013281      3.198326      3.695890
  C      -9.025254      1.154175      4.377583
  C      -7.976715      0.786320      5.415193
  O      -8.238341      0.014273      6.407416
  N      -6.692172      1.267680      5.175715
  C      -6.007936      1.600759      6.228701
  C     -10.116022      0.296862      4.226351
  H      -5.722882      4.656056     -0.584909
  H      -4.019982      4.792485     -1.091613
  H      -5.087803      3.563749     -1.811180
  H      -7.039381      2.625917     -0.698542
  H      -8.519280      0.858573      0.171926
  H      -3.543019     -1.834235      4.923631
  H      -3.959799      1.354701      2.034870
  H      -8.224289     10.524720     -0.482675
  H      -6.681520     10.631711     -1.347602
  H      -8.089886      9.863642     -2.153949
  H      -6.341606     10.722843      1.029968
  H      -5.196640     10.471438      3.236184
  H      -4.670007      3.518403      3.676781
  H      -6.496114      6.418766      0.664222
  H     -14.025796     -1.064738      2.187104
  H     -12.855418     -0.177701      1.123505
  H     -13.832666      0.733471      2.325961
  H     -11.843831      1.882824      1.791692
  H      -9.951588      3.481426      2.056570
  H      -6.499203      1.671539      7.217172
  H     -10.163532     -0.586211      4.849664
  N      -2.252997      2.026919      3.243071
  H      -2.174018      2.395878      2.271681
88
Coordinates from ORCA-job orca E -6669.237539794558
  N      -2.544655      0.010825      5.392825
  Mo     -3.201309      1.822219      4.690302
  N      -4.694026      1.923422      6.190651
  C      -4.159264      2.620258      7.367415
  C      -2.703749      2.230300      7.613026
  N      -1.832235      2.241258      6.368637
  C      -0.799198      1.154725      6.463963
  C      -1.483165     -0.207923      6.344659
  C      -1.166869      3.571021      6.138306
  C      -2.219459      4.603578      5.764399
  N      -3.224932      3.868915      5.025296
  H      -0.762034     -0.956672      5.986148
  H      -1.887671     -0.563560      7.307310
  H      -0.111772      1.304216      5.623376
  H      -0.243702      1.256177      7.408418
  H      -2.667418      5.078046      6.651603
  H      -1.786532      5.405202      5.145215
  H      -0.597986      3.848525      7.038507
  H      -0.468286      3.427254      5.305629
  H      -4.728310      2.338526      8.267384
  H      -4.271369      3.708122      7.246377
  H      -2.682088      1.207838      8.001320
  H      -2.232292      2.888125      8.358313
  C      -4.689068      4.092408     -0.793590
  C      -4.314647      3.108288      0.264110
  O      -3.224097      3.121511      0.776435
  C      -5.330800      2.085502      0.681355
  C      -6.625299      1.944049      0.136302
  C      -7.496809      0.955618      0.605404
  C      -7.088490      0.120478      1.632439
  F      -7.947841     -0.813280      2.068534
  C      -5.815692      0.259112      2.225654
  C      -5.321675     -0.592574      3.318861
  O      -5.732845     -1.716467      3.585333
  N      -4.226165     -0.005950      4.043165
  C      -3.451249     -0.759896      4.809949
  C      -4.961265      1.228589      1.700869
  C      -7.609656     10.004582     -1.164984
  C      -7.207814      8.651506     -0.636974
  O      -7.429015      7.620889     -1.270801
  C      -6.526534      8.582685      0.692278
  C      -6.157175      9.721651      1.425040
  C      -5.507772      9.587078      2.644708
  C      -5.220469      8.314356      3.136215
  F      -4.607280      8.251830      4.330507
  C      -5.575236      7.145059      2.437253
  C      -5.309054      5.736131      2.857961
  O      -5.874778      4.805762      2.297041
  N      -4.368412      5.575634      3.874445
  C      -4.118624      4.325375      4.179253
  C      -6.236676      7.323505      1.218789
  C     -13.306936     -0.180169      2.100314
  C     -12.265185     -0.428369      3.167752
  O     -12.333948     -1.368807      3.894044
  C     -11.128849      0.544882      3.294792
  C     -11.033075      1.706692      2.494252
  C      -9.959686      2.567277      2.663327
  C      -8.967526      2.257610      3.622422
  F      -7.960270      3.152104      3.754621
  C      -9.023923      1.118951      4.425827
  C      -8.011222      0.761411      5.446738
  O      -8.315721      0.025159      6.389547
  N      -6.706625      1.255314      5.202805
  C      -6.007095      1.599979      6.240235
  C     -10.125271      0.279732      4.262606
  H      -5.589005      4.673502     -0.470573
  H      -3.842843      4.778056     -0.977471
  H      -4.960635      3.555063     -1.743608
  H      -6.960911      2.603620     -0.658346
  H      -8.506205      0.822507      0.196412
  H      -3.565381     -1.847105      4.921170
  H      -3.938680      1.311142      2.074652
  H      -8.254679     10.529989     -0.451903
  H      -6.722128     10.633096     -1.319180
  H      -8.135795      9.881807     -2.111304
  H      -6.370723     10.720534      1.047881
  H      -5.217839     10.454515      3.232281
  H      -4.710177      3.512113      3.657848
  H      -6.529899      6.439128      0.661024
  H     -14.045605     -0.987563      2.127178
  H     -12.845244     -0.138416      1.098358
  H     -13.808914      0.784113      2.264639
  H     -11.806024      1.951212      1.737816
  H      -9.869313      3.475443      2.078474
  H      -6.484645      1.671044      7.231381
  H     -10.201301     -0.608565      4.890554
  N      -2.293182      2.009210      3.203769
  H      -2.243712      2.373472      2.228474
88
Coordinates from ORCA-job orca E -6669.234754539822
  N      -2.530040      0.011613      5.421294
  Mo     -3.182174      1.826268      4.720245
  N      -4.699709      1.918025      6.197746
  C      -4.175363      2.605823      7.384491
  C      -2.721516      2.215062      7.646326
  N      -1.831339      2.233962      6.413715
  C      -0.793487      1.147308      6.515116
  C      -1.476040     -0.212097      6.382098
  C      -1.163253      3.565681      6.200807
  C      -2.215607      4.601319      5.822629
  N      -3.211141      3.870784      5.064142
  H      -0.749389     -0.958413      6.026219
  H      -1.888644     -0.572476      7.336970
  H      -0.095662      1.299671      5.683337
  H      -0.245524      1.248152      7.463364
  H      -2.675187      5.070260      6.706006
  H      -1.775792      5.405952      5.215090
  H      -0.605185      3.837467      7.109468
  H      -0.453384      3.426455      5.377382
  H      -4.755033      2.319062      8.275687
  H      -4.285416      3.693408      7.269349
  H      -2.702206      1.189232      8.028116
  H      -2.261206      2.868818      8.401530
  C      -4.878119      4.083058     -0.957072
  C      -4.433189      3.125675      0.117979
  O      -3.295676      3.183924      0.590163
  C      -5.396597      2.091454      0.604921
  C      -6.684478      1.923398      0.093475
  C      -7.512267      0.926043      0.603773
  C      -7.065189      0.105184      1.640709
  F      -7.886263     -0.838224      2.112147
  C      -5.802176      0.267445      2.208560
  C      -5.284406     -0.575921      3.315416
  O      -5.651641     -1.691327      3.603582
  N      -4.208187      0.009426      4.045966
  C      -3.430284     -0.752505      4.828142
  C      -4.987489      1.248753      1.643435
  C      -7.552909     10.028534     -1.182070
  C      -7.150670      8.668183     -0.656969
  O      -7.351120      7.650549     -1.315541
  C      -6.492947      8.582796      0.692770
  C      -6.149145      9.714939      1.453361
  C      -5.524993      9.571079      2.690739
  C      -5.236478      8.296381      3.171668
  F      -4.649953      8.220674      4.384815
  C      -5.562101      7.134433      2.445776
  C      -5.286061      5.724399      2.860958
  O      -5.832358      4.787545      2.254719
  N      -4.355295      5.576528      3.900617
  C      -4.095750      4.329807      4.207811
  C      -6.200376      7.319878      1.209640
  C     -13.305555     -0.181432      2.118639
  C     -12.247718     -0.437639      3.176316
  O     -12.313485     -1.454875      3.943956
  C     -11.106845      0.543919      3.299868
  C     -11.005537      1.712367      2.502637
  C      -9.926424      2.589858      2.660940
  C      -8.936631      2.287624      3.605324
  F      -7.910874      3.158061      3.753650
  C      -8.998150      1.142618      4.404782
  C      -7.981199      0.790465      5.415852
  O      -8.256934      0.088573      6.320401
  N      -6.693351      1.271207      5.178392
  C      -6.013596      1.603951      6.232922
  C     -10.108093      0.290910      4.245309
  H      -5.775794      4.643538     -0.629770
  H      -4.060477      4.782270     -1.182801
  H      -5.160934      3.535072     -1.876815
  H      -7.053887      2.566138     -0.709728
  H      -8.514050      0.776047      0.217463
  H      -3.535572     -1.842647      4.940113
  H      -3.971532      1.346469      1.994405
  H      -8.223079     10.547587     -0.471300
  H      -6.662601     10.663276     -1.308226
  H      -8.058369      9.913048     -2.152290
  H      -6.366652     10.717982      1.083926
  H      -5.256813     10.434639      3.301134
  H      -4.676932      3.511555      3.675890
  H      -6.473198      6.437455      0.631421
  H     -14.041558     -0.972385      2.141995
  H     -12.865468     -0.132431      1.141424
  H     -13.804097      0.763014      2.283283
  H     -11.771422      1.939490      1.766273
  H      -9.831425      3.504403      2.071937
  H      -6.504427      1.675085      7.221007
  H     -10.184735     -0.607693      4.871755
  N      -2.261750      2.024456      3.260519
  H      -2.183347      2.388098      2.292222
88
Coordinates from ORCA-job orca E -6669.238190179458
  N      -2.540311      0.011220      5.418607
  Mo     -3.184524      1.828738      4.719613
  N      -4.706426      1.920421      6.193624
  C      -4.193661      2.604797      7.388007
  C      -2.741770      2.210455      7.652603
  N      -1.844655      2.230865      6.421557
  C      -0.810440      1.140757      6.524547
  C      -1.497268     -0.218738      6.381430
  C      -1.172480      3.562325      6.214989
  C      -2.218162      4.601034      5.833418
  N      -3.212189      3.875928      5.069774
  H      -0.775240     -0.970427      6.027607
  H      -1.918272     -0.578557      7.331825
  H      -0.105719      1.294452      5.696718
  H      -0.271084      1.237914      7.478294
  H      -2.681522      5.071102      6.717257
  H      -1.771469      5.405455      5.228735
  H      -0.619396      3.832712      7.126885
  H      -0.457687      3.422947      5.392574
  H      -4.780294      2.314003      8.276076
  H      -4.300752      3.695320      7.279200
  H      -2.726912      1.180913      8.029840
  H      -2.284634      2.860748      8.413230
  C      -4.904168      4.115665     -0.977662
  C      -4.459702      3.162054      0.090851
  O      -3.304128      3.253042      0.552964
  C      -5.404937      2.111108      0.587456
  C      -6.696767      1.932945      0.083146
  C      -7.519810      0.924841      0.595180
  C      -7.064270      0.106326      1.630994
  F      -7.882856     -0.846526      2.104194
  C      -5.793415      0.281097      2.196554
  C      -5.281732     -0.561002      3.303775
  O      -5.683583     -1.691332      3.581544
  N      -4.206087      0.015459      4.040495
  C      -3.436446     -0.749707      4.818469
  C      -4.981896      1.270166      1.626858
  C      -7.494154     10.026410     -1.173933
  C      -7.098367      8.672215     -0.651859
  O      -7.297568      7.659426     -1.305499
  C      -6.449434      8.591547      0.693573
  C      -6.110374      9.725562      1.449065
  C      -5.493044      9.586764      2.683552
  C      -5.207593      8.316759      3.167350
  F      -4.627865      8.246472      4.377317
  C      -5.531079      7.154188      2.447484
  C      -5.262542      5.744814      2.864220
  O      -5.812904      4.808413      2.267259
  N      -4.336888      5.589972      3.906939
  C      -4.091859      4.341507      4.212493
  C      -6.160698      7.333237      1.213344
  C     -13.280786     -0.258746      2.200255
  C     -12.215145     -0.483598      3.238145
  O     -12.255862     -1.467907      3.995409
  C     -11.103099      0.510801      3.328013
  C     -11.042302      1.657623      2.527879
  C     -10.001683      2.562452      2.632993
  C      -9.010477      2.314124      3.526836
  F      -8.037566      3.232213      3.605511
  C      -9.014790      1.155478      4.360261
  C      -7.968484      0.799111      5.383592
  O      -8.229942      0.050425      6.351262
  N      -6.689545      1.276562      5.155584
  C      -6.017602      1.602345      6.213731
  C     -10.098810      0.288277      4.238208
  H      -5.781845      4.653333     -0.661699
  H      -4.115108      4.831802     -1.211147
  H      -5.168894      3.571781     -1.865243
  H      -7.076859      2.573141     -0.716079
  H      -8.525475      0.767742      0.214281
  H      -3.542118     -1.838346      4.928972
  H      -3.963861      1.374447      1.973766
  H      -8.161416     10.536226     -0.469510
  H      -6.605215     10.668589     -1.298630
  H      -7.995643      9.907577     -2.138025
  H      -6.324954     10.725423      1.076691
  H      -5.227492     10.452337      3.290100
  H      -4.677920      3.529949      3.676633
  H      -6.429560      6.447336      0.636826
  H     -14.004532     -1.093682      2.252457
  H     -12.824253     -0.208689      1.179133
  H     -13.809175      0.709326      2.375406
  H     -11.822545      1.865673      1.813335
  H      -9.952792      3.478961      2.023253
  H      -6.517738      1.664663      7.198636
  H     -10.145031     -0.593077      4.869169
  N      -2.256558      2.027318      3.257344
  H      -2.186816      2.396725      2.287560
88
Coordinates from ORCA-job orca E -6669.237811151273
  N      -2.515424      0.008674      5.412570
  Mo     -3.179319      1.818099      4.704533
  N      -4.682992      1.917165      6.193697
  C      -4.152780      2.614661      7.372330
  C      -2.695576      2.230475      7.624171
  N      -1.815645      2.244348      6.384730
  C      -0.774186      1.161742      6.485399
  C      -1.452360     -0.205754      6.366660
  C      -1.153901      3.577976      6.155504
  C      -2.211814      4.607128      5.776870
  N      -3.212575      3.868205      5.033385
  H      -0.725963     -0.953503      6.009507
  H      -1.857364     -0.562830      7.329920
  H      -0.083771      1.313098      5.645977
  H      -0.219604      1.270988      7.430455
  H      -2.665450      5.081580      6.661393
  H      -1.778067      5.410470      5.157816
  H      -0.589328      3.859486      7.057689
  H      -0.450100      3.435241      5.326086
  H      -4.724297      2.330375      8.271015
  H      -4.267723      3.703167      7.251485
  H      -2.670158      1.206154      8.013241
  H      -2.232064      2.891030      8.372044
  C      -4.783736      4.061310     -0.835350
  C      -4.369440      3.084679      0.231649
  O      -3.225123      3.114173      0.746523
  C      -5.362002      2.061022      0.672452
  C      -6.665726      1.911064      0.134430
  C      -7.513880      0.923365      0.614687
  C      -7.081259      0.093632      1.646183
  F      -7.924941     -0.842238      2.093421
  C      -5.795591      0.243799      2.234886
  C      -5.280112     -0.597895      3.335311
  O      -5.656512     -1.710791      3.612628
  N      -4.198243     -0.015712      4.056338
  C      -3.418049     -0.763155      4.829997
  C      -4.966452      1.213616      1.696227
  C      -7.606092     10.016227     -1.159861
  C      -7.200932      8.657892     -0.637781
  O      -7.413660      7.630989     -1.282875
  C      -6.523305      8.583657      0.696887
  C      -6.166448      9.722948      1.441616
  C      -5.523175      9.585767      2.668083
  C      -5.229431      8.309687      3.153663
  F      -4.625201      8.242705      4.356320
  C      -5.569516      7.141357      2.441892
  C      -5.296590      5.729856      2.856361
  O      -5.854021      4.795433      2.279209
  N      -4.356042      5.572921      3.878698
  C      -4.106287      4.324285      4.185024
  C      -6.225048      7.320932      1.217417
  C     -13.331976     -0.149643      2.063341
  C     -12.280613     -0.390671      3.122441
  O     -12.341501     -1.345375      3.851469
  C     -11.143541      0.573538      3.259308
  C     -11.047173      1.725244      2.470891
  C      -9.964991      2.589330      2.645542
  C      -8.965905      2.279250      3.605806
  F      -7.942066      3.156413      3.759849
  C      -9.021479      1.140648      4.403539
  C      -7.992703      0.769094      5.443197
  O      -8.281905      0.006334      6.423428
  N      -6.693448      1.257305      5.197294
  C      -5.997790      1.598309      6.239300
  C     -10.134556      0.307018      4.225922
  H      -5.680207      4.624148     -0.508886
  H      -3.961258      4.753030     -1.035761
  H      -5.058758      3.529726     -1.772237
  H      -7.018691      2.564104     -0.661653
  H      -8.522346      0.786190      0.211819
  H      -3.520857     -1.846375      4.946700
  H      -3.942882      1.299334      2.060246
  H      -8.260305     10.535394     -0.443014
  H      -6.720869     10.653895     -1.305426
  H      -8.126625      9.894693     -2.113421
  H      -6.387318     10.725019      1.069657
  H      -5.244277     10.454235      3.266324
  H      -4.696669      3.509901      3.663482
  H      -6.508451      6.434587      0.650329
  H     -14.072807     -0.958389      2.090432
  H     -12.882826     -0.106475      1.056522
  H     -13.831609      0.813894      2.232941
  H     -11.821559      1.962031      1.721961
  H      -9.873167      3.489070      2.067059
  H      -6.479762      1.672660      7.230268
  H     -10.209224     -0.582977      4.850882
  N      -2.268388      2.008931      3.220130
  H      -2.215149      2.370600      2.243250
88
Coordinates from ORCA-job orca E -6669.236633161890
  N      -2.541905      0.009993      5.399090
  Mo     -3.204793      1.815708      4.693080
  N      -4.713141      1.916244      6.176295
  C      -4.181847      2.608654      7.356627
  C      -2.727904      2.222675      7.611286
  N      -1.845643      2.236983      6.373073
  C      -0.804346      1.156709      6.474067
  C      -1.480466     -0.206240      6.353270
  C      -1.183683      3.568653      6.148709
  C      -2.240033      4.597103      5.773241
  N      -3.238409      3.859902      5.025684
  H      -0.756417     -0.951909      5.995291
  H      -1.883814     -0.562420      7.313908
  H      -0.112777      1.306297      5.636786
  H      -0.251969      1.267153      7.418749
  H      -2.693894      5.069781      6.657747
  H      -1.807274      5.399504      5.158354
  H      -0.621629      3.847956      7.052526
  H      -0.478640      3.426115      5.321905
  H      -4.753993      2.323677      8.252552
  H      -4.294678      3.695348      7.239316
  H      -2.704391      1.199842      7.997554
  H      -2.264449      2.881058      8.361285
  C      -4.747609      4.061053     -0.835147
  C      -4.343332      3.085805      0.228570
  O      -3.260118      3.095715      0.725374
  C      -5.338056      2.072946      0.663460
  C      -6.615664      1.938942      0.131333
  C      -7.470680      0.956546      0.611877
  C      -7.059511      0.120083      1.637711
  F      -7.906055     -0.808350      2.082204
  C      -5.804522      0.251796      2.219869
  C      -5.307956     -0.596720      3.318862
  O      -5.691654     -1.710511      3.599836
  N      -4.225378     -0.006080      4.039694
  C      -3.443149     -0.759027      4.816163
  C      -4.967080      1.215997      1.684154
  C      -7.539129     10.073271     -1.193071
  C      -7.151927      8.707523     -0.664171
  O      -7.362332      7.684663     -1.321341
  C      -6.497490      8.616066      0.687431
  C      -6.148252      9.744066      1.452105
  C      -5.527934      9.592005      2.691904
  C      -5.247219      8.311707      3.171096
  F      -4.664733      8.231296      4.385984
  C      -5.578564      7.151832      2.438748
  C      -5.312070      5.737724      2.845557
  O      -5.861480      4.811399      2.246543
  N      -4.377325      5.571338      3.873932
  C      -4.130723      4.320493      4.176833
  C      -6.213748      7.348055      1.201444
  C     -13.308276     -0.230180      2.178190
  C     -12.244850     -0.474399      3.213064
  O     -12.293583     -1.424511      3.939861
  C     -11.119651      0.518988      3.313805
  C     -11.022376      1.683653      2.522733
  C      -9.958801      2.584467      2.659027
  C      -8.969473      2.293614      3.592091
  F      -7.955437      3.177072      3.725420
  C      -9.024376      1.144231      4.390003
  C      -8.006493      0.786247      5.394490
  O      -8.286234      0.061006      6.321246
  N      -6.715583      1.274605      5.162426
  C      -6.028744      1.601702      6.217029
  C     -10.122022      0.281835      4.244742
  H      -5.654646      4.636610     -0.515533
  H      -3.917200      4.747751     -1.025953
  H      -5.018930      3.523320     -1.780805
  H      -6.958520      2.598869     -0.662979
  H      -8.468339      0.831171      0.211949
  H      -3.546086     -1.846709      4.933884
  H      -3.956636      1.290720      2.049123
  H      -8.206523     10.601466     -0.485737
  H      -6.642760     10.696786     -1.319096
  H      -8.041959      9.962730     -2.163832
  H      -6.358478     10.749215      1.084258
  H      -5.256229     10.451227      3.304930
  H      -4.723522      3.507286      3.653143
  H      -6.489559      6.472380      0.618398
  H     -14.030859     -1.032813      2.224706
  H     -12.853858     -0.179209      1.191823
  H     -13.837191      0.719851      2.345809
  H     -11.782728      1.896906      1.802754
  H      -9.867061      3.511510      2.068642
  H      -6.512805      1.669412      7.205601
  H     -10.197486     -0.624903      4.872174
  N      -2.296418      2.008170      3.215431
  H      -2.237455      2.365017      2.243278
88
Coordinates from ORCA-job orca E -6669.236636991898
  N      -2.507715      0.012228      5.432790
  Mo     -3.169126      1.819895      4.723493
  N      -4.691955      1.910762      6.196064
  C      -4.178113      2.602411      7.385947
  C      -2.720645      2.220270      7.649274
  N      -1.826178      2.242015      6.417139
  C      -0.781523      1.162126      6.524959
  C      -1.457486     -0.202166      6.393575
  C      -1.165471      3.577874      6.201740
  C      -2.221382      4.606593      5.816756
  N      -3.212102      3.869884      5.058573
  H      -0.729186     -0.948618      6.041565
  H      -1.871321     -0.559445      7.347305
  H      -0.080161      1.315506      5.695252
  H      -0.240077      1.269974      7.475107
  H      -2.686558      5.077770      6.698303
  H      -1.782645      5.411172      5.207483
  H      -0.612829      3.856731      7.111146
  H      -0.450957      3.440081      5.379712
  H      -4.760469      2.310800      8.275834
  H      -4.294312      3.690995      7.272735
  H      -2.697320      1.193259      8.031261
  H      -2.265830      2.877448      8.405128
  C      -4.923893      4.061731     -0.959761
  C      -4.466189      3.112926      0.108224
  O      -3.318100      3.205275      0.571374
  C      -5.409242      2.059555      0.602340
  C      -6.716409      1.866938      0.100189
  C      -7.535969      0.851883      0.616813
  C      -7.067561      0.040794      1.654254
  F      -7.882286     -0.918938      2.133715
  C      -5.784054      0.229760      2.215949
  C      -5.258901     -0.601549      3.329427
  O      -5.659028     -1.746823      3.614589
  N      -4.181609     -0.002145      4.059178
  C      -3.400096     -0.759477      4.841748
  C      -4.972879      1.225516      1.641701
  C      -7.533973     10.040609     -1.165688
  C      -7.128732      8.681735     -0.649670
  O      -7.316328      7.672739     -1.314485
  C      -6.483392      8.592337      0.701685
  C      -6.161255      9.720831      1.473528
  C      -5.549756      9.572812      2.713380
  C      -5.252603      8.298770      3.185660
  F      -4.680996      8.217924      4.402859
  C      -5.556977      7.141383      2.449013
  C      -5.272743      5.730251      2.856172
  O      -5.814637      4.795322      2.242891
  N      -4.346096      5.578420      3.896376
  C      -4.097279      4.328845      4.203558
  C      -6.182068      7.329580      1.210116
  C     -13.288709     -0.139750      2.116876
  C     -12.227032     -0.403850      3.172716
  O     -12.284532     -1.423637      3.941263
  C     -11.096117      0.569686      3.289944
  C     -11.016418      1.732959      2.494881
  C      -9.955923      2.605467      2.638540
  C      -8.963130      2.312208      3.562849
  F      -7.962645      3.195942      3.685219
  C      -8.993987      1.153622      4.375390
  C      -7.964743      0.792259      5.390810
  O      -8.236678      0.071588      6.302594
  N      -6.680381      1.269905      5.163405
  C      -6.003342      1.592547      6.221433
  C     -10.090655      0.309770      4.225282
  H      -5.820503      4.600958     -0.635527
  H      -4.127586      4.780443     -1.188086
  H      -5.191783      3.510108     -1.865248
  H      -7.107145      2.501609     -0.699112
  H      -8.551510      0.684100      0.237055
  H      -3.498108     -1.850772      4.959310
  H      -3.944537      1.340156      1.987568
  H      -8.211119     10.543707     -0.458900
  H      -6.649012     10.685619     -1.278463
  H      -8.029170      9.928582     -2.138314
  H      -6.385924     10.724044      1.110829
  H      -5.298500     10.433722      3.333211
  H      -4.683058      3.515171      3.674176
  H      -6.436656      6.448101      0.620766
  H     -14.021177     -0.954130      2.149585
  H     -12.835509     -0.083208      1.107795
  H     -13.803216      0.825543      2.294698
  H     -11.797229      1.974331      1.756466
  H      -9.885787      3.530503      2.038960
  H      -6.499594      1.654645      7.208087
  H     -10.152853     -0.575332      4.843322
  N      -2.250707      2.019810      3.255074
  H      -2.189543      2.382516      2.282712
88
Coordinates from ORCA-job orca E -6669.236458690951
  N      -2.530768      0.014318      5.421090
  Mo     -3.189478      1.824326      4.710764
  N      -4.699607      1.927424      6.188853
  C      -4.174558      2.619908      7.372584
  C      -2.721272      2.231893      7.631229
  N      -1.834501      2.245594      6.395926
  C      -0.795976      1.163071      6.500398
  C      -1.472846     -0.202546      6.376856
  C      -1.170801      3.576740      6.170612
  C      -2.222955      4.606277      5.788299
  N      -3.219916      3.871663      5.038730
  H      -0.748595     -0.949998      6.019464
  H      -1.879872     -0.560105      7.339290
  H      -0.102754      1.314595      5.663537
  H      -0.245604      1.273567      7.447818
  H      -2.678989      5.081359      6.670803
  H      -1.784366      5.407954      5.171284
  H      -0.611240      3.856658      7.075847
  H      -0.463528      3.433025      5.344619
  H      -4.750276      2.334658      8.268893
  H      -4.286742      3.708191      7.253999
  H      -2.699320      1.207638      8.019191
  H      -2.261713      2.889265      8.382879
  C      -4.882618      4.078000     -0.923438
  C      -4.442044      3.115250      0.143390
  O      -3.250169      3.185899      0.622579
  C      -5.411240      2.073393      0.632008
  C      -6.702233      1.908869      0.120905
  C      -7.524852      0.914672      0.625116
  C      -7.075578      0.091175      1.656950
  F      -7.888245     -0.850485      2.120792
  C      -5.807177      0.251705      2.227463
  C      -5.290079     -0.588571      3.330317
  O      -5.655241     -1.700823      3.611269
  N      -4.207810     -0.009918      4.057928
  C      -3.435090     -0.757791      4.833340
  C      -4.999725      1.228757      1.664431
  C      -7.505266     10.055726     -1.147247
  C      -7.122514      8.694328     -0.633170
  O      -7.338316      7.679122     -1.282958
  C      -6.464118      8.606958      0.702282
  C      -6.113438      9.738781      1.454475
  C      -5.490486      9.594544      2.682644
  C      -5.210341      8.319880      3.161836
  F      -4.626915      8.244953      4.367360
  C      -5.542652      7.159548      2.442480
  C      -5.279475      5.748590      2.853420
  O      -5.831513      4.817470      2.270542
  N      -4.344674      5.585595      3.882704
  C      -4.108166      4.335358      4.188793
  C      -6.178752      7.344311      1.215961
  C     -13.298335     -0.247291      2.117138
  C     -12.249465     -0.472548      3.167335
  O     -12.311645     -1.454857      3.918460
  C     -11.120928      0.523496      3.287173
  C     -11.026414      1.678525      2.492681
  C      -9.959875      2.565478      2.647373
  C      -8.976719      2.291004      3.582231
  F      -7.976900      3.205137      3.702703
  C      -9.025432      1.147252      4.389841
  C      -7.995988      0.785223      5.420662
  O      -8.283305      0.023081      6.406169
  N      -6.697762      1.280419      5.176975
  C      -6.013630      1.613827      6.223045
  C     -10.124092      0.282262      4.237946
  H      -5.760250      4.624659     -0.586399
  H      -4.076046      4.784716     -1.155460
  H      -5.166349      3.539283     -1.830995
  H      -7.068529      2.554442     -0.675600
  H      -8.522693      0.767956      0.239997
  H      -3.539907     -1.844306      4.948335
  H      -3.984523      1.320203      2.010633
  H      -8.160378     10.571888     -0.437439
  H      -6.610692     10.688953     -1.280715
  H      -8.014205      9.944421     -2.101716
  H      -6.325368     10.741071      1.086176
  H      -5.217243     10.457684      3.287921
  H      -4.703819      3.526259      3.664436
  H      -6.456984      6.461493      0.641050
  H     -14.042675     -1.064536      2.146443
  H     -12.841986     -0.202892      1.119962
  H     -13.799953      0.698991      2.282881
  H     -11.796625      1.899377      1.749209
  H      -9.871295      3.458612      2.068807
  H      -6.502671      1.683924      7.210307
  H     -10.194553     -0.609644      4.865368
  N      -2.277204      2.010761      3.236850
  H      -2.222085      2.368418      2.258526
88
Coordinates from ORCA-job orca E -6669.238251726905
  N      -2.497439      0.006192      5.411635
  Mo     -3.174109      1.808520      4.700514
  N      -4.690102      1.903889      6.177132
  C      -4.165764      2.602364      7.359476
  C      -2.707054      2.226926      7.616576
  N      -1.818271      2.246563      6.381469
  C      -0.765337      1.171832      6.487675
  C      -1.434689     -0.202199      6.367493
  C      -1.164131      3.586871      6.157064
  C      -2.230533      4.608481      5.775635
  N      -3.224398      3.860947      5.027784
  H      -0.700337     -0.945347      6.011077
  H      -1.840329     -0.563723      7.327202
  H      -0.070528      1.325761      5.651187
  H      -0.214546      1.287049      7.434696
  H      -2.692396      5.080085      6.658913
  H      -1.801465      5.416029      5.160207
  H      -0.605987      3.872858      7.062493
  H      -0.454090      3.448686      5.331321
  H      -4.738648      2.311610      8.254628
  H      -4.286590      3.690963      7.243867
  H      -2.677420      1.201321      8.003455
  H      -2.251336      2.890934      8.368216
  C      -4.764416      4.038569     -0.843855
  C      -4.347153      3.062134      0.219035
  O      -3.237976      3.085493      0.716821
  C      -5.333858      2.037974      0.660941
  C      -6.635950      1.890955      0.136883
  C      -7.492084      0.901431      0.628152
  C      -7.057763      0.071286      1.657747
  F      -7.915343     -0.861630      2.120143
  C      -5.772020      0.218552      2.231132
  C      -5.251944     -0.615644      3.334245
  O      -5.614035     -1.718457      3.625986
  N      -4.180652     -0.024008      4.050987
  C      -3.391122     -0.766181      4.830686
  C      -4.936844      1.187534      1.682274
  C      -7.568767     10.051146     -1.174113
  C      -7.164649      8.689118     -0.655899
  O      -7.353163      7.671776     -1.324410
  C      -6.519054      8.599469      0.700290
  C      -6.197740      9.729028      1.479727
  C      -5.585606      9.577655      2.724613
  C      -5.285496      8.297452      3.193890
  F      -4.713433      8.215441      4.414834
  C      -5.588605      7.137965      2.446559
  C      -5.301564      5.723027      2.841305
  O      -5.839758      4.787168      2.227304
  N      -4.367942      5.565745      3.873981
  C      -4.119854      4.316608      4.177425
  C      -6.215796      7.331998      1.205058
  C     -13.359318     -0.123331      2.122710
  C     -12.287941     -0.375505      3.175305
  O     -12.336801     -1.304713      3.908335
  C     -11.150813      0.574160      3.281876
  C     -11.064087      1.711437      2.480904
  C      -9.989379      2.581748      2.615853
  C      -8.984441      2.288627      3.553373
  F      -7.963999      3.152034      3.672143
  C      -9.024451      1.153791      4.374238
  C      -7.983020      0.786231      5.406213
  O      -8.252537      0.044982      6.380864
  N      -6.694353      1.257974      5.164366
  C      -6.005366      1.588062      6.215819
  C     -10.137275      0.328455      4.221850
  H      -5.663099      4.598927     -0.523541
  H      -3.948163      4.732696     -1.042361
  H      -5.031657      3.508015     -1.774662
  H      -6.997679      2.546689     -0.655785
  H      -8.511244      0.766815      0.237578
  H      -3.484722     -1.847032      4.954457
  H      -3.910292      1.272287      2.038544
  H      -8.248132     10.559018     -0.467808
  H      -6.681822     10.692301     -1.285779
  H      -8.062437      9.940195     -2.150468
  H      -6.423411     10.733946      1.119704
  H      -5.335615     10.437699      3.349459
  H      -4.709803      3.502888      3.656891
  H      -6.469571      6.454323      0.610258
  H     -14.090096     -0.923212      2.175931
  H     -12.924599     -0.091903      1.110057
  H     -13.870170      0.854697      2.287325
  H     -11.840371      1.931166      1.752389
  H      -9.910145      3.496142      2.009995
  H      -6.491711      1.659220      7.206101
  H     -10.207086     -0.556026      4.857523
  N      -2.267540      2.006485      3.219632
  H      -2.219697      2.366008      2.242692
88
Coordinates from ORCA-job orca E -6669.236744190552
  N      -2.520239      0.008953      5.424321
  Mo     -3.192558      1.807450      4.700780
  N      -4.695108      1.916065      6.187976
  C      -4.163912      2.616811      7.363143
  C      -2.703686      2.238725      7.613785
  N      -1.827725      2.249000      6.371393
  C      -0.782601      1.175126      6.479709
  C      -1.454080     -0.189806      6.375271
  C      -1.172979      3.580925      6.129523
  C      -2.233371      4.601667      5.744248
  N      -3.232697      3.856106      5.006235
  H      -0.730866     -0.936314      6.023579
  H      -1.851091     -0.534704      7.339911
  H      -0.095648      1.320369      5.638803
  H      -0.228684      1.297194      7.420779
  H      -2.685229      5.082264      6.624716
  H      -1.804423      5.397456      5.119099
  H      -0.608222      3.871311      7.028274
  H      -0.470659      3.433970      5.301127
  H      -4.733280      2.334928      8.262606
  H      -4.281993      3.702292      7.237542
  H      -2.672994      1.218260      8.008004
  H      -2.239549      2.903357      8.356370
  C      -4.832781      4.018266     -0.811547
  C      -4.419040      3.044666      0.241564
  O      -3.312453      3.083096      0.728738
  C      -5.384886      2.018326      0.691237
  C      -6.673912      1.855637      0.162671
  C      -7.504922      0.851266      0.646364
  C      -7.069709      0.022579      1.674964
  F      -7.893104     -0.931392      2.121875
  C      -5.803777      0.187651      2.257449
  C      -5.295332     -0.649021      3.364321
  O      -5.718141     -1.811307      3.637969
  N      -4.210831     -0.035567      4.074165
  C      -3.421923     -0.780379      4.853616
  C      -4.981363      1.171731      1.716355
  C      -7.575050     10.097965     -1.160607
  C      -7.177818      8.729470     -0.651007
  O      -7.387536      7.713951     -1.317419
  C      -6.513974      8.628708      0.694184
  C      -6.169281      9.751943      1.467010
  C      -5.543387      9.590965      2.702749
  C      -5.254323      8.307144      3.170033
  F      -4.670881      8.215852      4.384346
  C      -5.580275      7.152647      2.430066
  C      -5.307716      5.734840      2.829595
  O      -5.862847      4.813903      2.226220
  N      -4.370583      5.565664      3.850949
  C      -4.127950      4.313805      4.161897
  C      -6.219145      7.356294      1.195856
  C     -13.263288     -0.152163      2.064958
  C     -12.224869     -0.403119      3.115102
  O     -12.297101     -1.402730      3.841553
  C     -11.091200      0.580272      3.264418
  C     -10.990325      1.764360      2.491720
  C      -9.919704      2.641704      2.672890
  C      -8.939853      2.329397      3.613607
  F      -7.926764      3.210743      3.786990
  C      -8.997710      1.158089      4.391985
  C      -7.985346      0.782494      5.402017
  O      -8.264467      0.046860      6.295071
  N      -6.699562      1.276934      5.175269
  C      -6.009774      1.600088      6.228779
  C     -10.098174      0.307735      4.210698
  H      -5.732870      4.578943     -0.489928
  H      -4.015864      4.719037     -1.009189
  H      -5.098123      3.480155     -1.742853
  H      -7.035606      2.506065     -0.633971
  H      -8.502274      0.703391      0.244644
  H      -3.515423     -1.874612      4.983055
  H      -3.963647      1.267136      2.080758
  H      -8.238788     10.609284     -0.442639
  H      -6.687297     10.734547     -1.285680
  H      -8.085338      9.991957     -2.127242
  H      -6.388316     10.760871      1.110434
  H      -5.276168     10.447336      3.322685
  H      -4.727066      3.502038      3.648409
  H      -6.491262      6.481491      0.606291
  H     -14.003773     -0.969885      2.071363
  H     -12.792338     -0.080525      1.075634
  H     -13.770218      0.800666      2.251463
  H     -11.752546      2.007598      1.755058
  H      -9.823476      3.571985      2.100840
  H      -6.494841      1.664749      7.219016
  H     -10.175821     -0.600712      4.814133
  N      -2.295435      1.991390      3.211277
  H      -2.251768      2.339840      2.234014
88
Coordinates from ORCA-job orca E -6669.238923869733
  N      -2.509142      0.013117      5.421190
  Mo     -3.182238      1.818120      4.712420
  N      -4.710919      1.909098      6.174616
  C      -4.200100      2.603334      7.365502
  C      -2.743441      2.227294      7.632338
  N      -1.843148      2.252089      6.404504
  C      -0.793414      1.177126      6.511731
  C      -1.455855     -0.196654      6.378719
  C      -1.190753      3.592199      6.188942
  C      -2.251070      4.614233      5.801539
  N      -3.236681      3.871253      5.044667
  H      -0.719205     -0.936760      6.020744
  H      -1.866374     -0.563834      7.335459
  H      -0.093358      1.336906      5.680793
  H      -0.251147      1.288606      7.461515
  H      -2.720757      5.084606      6.682183
  H      -1.815024      5.422007      5.191273
  H      -0.642091      3.875997      7.098445
  H      -0.473862      3.457035      5.367788
  H      -4.781553      2.307705      8.255821
  H      -4.321296      3.692299      7.253345
  H      -2.717457      1.200829      8.015712
  H      -2.297711      2.887951      8.390990
  C      -4.884058      4.074323     -0.952725
  C      -4.427451      3.115812      0.116276
  O      -3.258163      3.197814      0.582021
  C      -5.397236      2.067273      0.609818
  C      -6.704498      1.897938      0.110674
  C      -7.533508      0.898513      0.622756
  C      -7.067571      0.077560      1.650896
  F      -7.884483     -0.864255      2.125970
  C      -5.787177      0.241213      2.209924
  C      -5.253017     -0.598044      3.312257
  O      -5.603283     -1.716069      3.591606
  N      -4.178476     -0.017056      4.049712
  C      -3.397226     -0.760551      4.831381
  C      -4.975372      1.221454      1.639896
  C      -7.450388     10.083042     -1.158095
  C      -7.077772      8.717942     -0.643523
  O      -7.279747      7.712736     -1.303674
  C      -6.443911      8.619534      0.703468
  C      -6.112867      9.742159      1.472883
  C      -5.513461      9.587856      2.710324
  C      -5.236714      8.312913      3.181235
  F      -4.675722      8.227027      4.395694
  C      -5.549587      7.161596      2.445722
  C      -5.284176      5.750126      2.849374
  O      -5.827338      4.824795      2.250113
  N      -4.357243      5.585020      3.886984
  C      -4.124636      4.331708      4.190367
  C      -6.163147      7.355718      1.209913
  C     -13.318237     -0.223731      2.191382
  C     -12.244159     -0.485116      3.246901
  O     -12.293047     -1.483044      4.028204
  C     -11.119062      0.503318      3.325120
  C     -11.044622      1.654186      2.504670
  C      -9.985088      2.537758      2.618763
  C      -8.991007      2.269097      3.533503
  F      -7.995499      3.173363      3.614864
  C      -9.022916      1.136287      4.362239
  C      -7.990331      0.789778      5.378876
  O      -8.269402      0.071483      6.333282
  N      -6.699105      1.262841      5.143672
  C      -6.023452      1.594641      6.197565
  C     -10.115570      0.275058      4.247904
  H      -5.769538      4.615312     -0.603232
  H      -4.076343      4.786798     -1.190453
  H      -5.175417      3.534517     -1.867795
  H      -7.085753      2.542318     -0.680638
  H      -8.550836      0.750307      0.247813
  H      -3.491347     -1.844740      4.948114
  H      -3.948201      1.311951      1.978216
  H      -8.121303     10.596505     -0.458155
  H      -6.552428     10.712706     -1.267608
  H      -7.940255      9.980474     -2.124952
  H      -6.320747     10.746021      1.110555
  H      -5.255412     10.444323      3.328576
  H      -4.714293      3.523988      3.661802
  H      -6.424590      6.478856      0.620981
  H     -14.050544     -1.019155      2.245154
  H     -12.892283     -0.196765      1.169943
  H     -13.819902      0.752723      2.356425
  H     -11.825603      1.873567      1.773245
  H      -9.917534      3.438199      2.011579
  H      -6.520476      1.662810      7.180440
  H     -10.169571     -0.605733      4.891976
  N      -2.267394      2.017683      3.243909
  H      -2.224836      2.382280      2.269116
88
Coordinates from ORCA-job orca E -6669.239425277950
  N      -2.489936      0.006451      5.442445
  Mo     -3.164518      1.804470      4.714744
  N      -4.674271      1.916174      6.191541
  C      -4.145286      2.617890      7.368615
  C      -2.688258      2.240617      7.625622
  N      -1.804670      2.251103      6.388949
  C      -0.755159      1.177634      6.503285
  C      -1.425294     -0.192507      6.397313
  C      -1.150461      3.585940      6.150724
  C      -2.212303      4.605282      5.762183
  N      -3.209006      3.857711      5.020541
  H      -0.698903     -0.938414      6.048215
  H      -1.825890     -0.539653      7.361637
  H      -0.064491      1.323647      5.664482
  H      -0.202321      1.302912      7.448788
  H      -2.668676      5.085259      6.641320
  H      -1.781500      5.404656      5.138678
  H      -0.589714      3.877722      7.052860
  H      -0.443877      3.438613      5.326042
  H      -4.715630      2.334580      8.267066
  H      -4.263416      3.704481      7.244922
  H      -2.658102      1.219088      8.019898
  H      -2.228492      2.906369      8.370614
  C      -4.887679      3.996196     -0.896202
  C      -4.433109      3.032141      0.164443
  O      -3.271685      3.085488      0.638185
  C      -5.389475      1.991700      0.648027
  C      -6.682022      1.820146      0.145278
  C      -7.504307      0.821835      0.661285
  C      -7.053569      0.005259      1.698762
  F      -7.879295     -0.937799      2.180993
  C      -5.780270      0.175209      2.257731
  C      -5.257446     -0.645334      3.372084
  O      -5.632079     -1.756973      3.677512
  N      -4.178762     -0.038524      4.084218
  C      -3.390084     -0.776181      4.868334
  C      -4.970224      1.152776      1.680483
  C      -7.592379     10.060532     -1.137112
  C      -7.169807      8.700139     -0.640386
  O      -7.342140      7.692428     -1.324569
  C      -6.528307      8.599965      0.715427
  C      -6.230775      9.724243      1.512939
  C      -5.623854      9.566560      2.758642
  C      -5.305959      8.285515      3.210710
  F      -4.743729      8.195651      4.435306
  C      -5.583407      7.131906      2.445009
  C      -5.278930      5.716529      2.824309
  O      -5.804347      4.775037      2.194790
  N      -4.345267      5.563577      3.860824
  C      -4.103754      4.315665      4.171572
  C      -6.205385      7.330834      1.202496
  C     -13.305680     -0.082911      2.030947
  C     -12.266337     -0.316807      3.079617
  O     -12.341513     -1.280400      3.802349
  C     -11.121062      0.640457      3.230103
  C     -11.009285      1.788346      2.461706
  C      -9.929327      2.654026      2.634296
  C      -8.940867      2.338119      3.583144
  F      -7.921963      3.211784      3.731874
  C      -8.999740      1.180374      4.380366
  C      -7.972394      0.792308      5.412997
  O      -8.258134      0.016980      6.380380
  N      -6.673779      1.281991      5.177133
  C      -5.989285      1.607179      6.228595
  C     -10.118925      0.362734      4.190631
  H      -5.778447      4.544553     -0.563884
  H      -4.092450      4.702298     -1.116992
  H      -5.163094      3.458799     -1.804597
  H      -7.059535      2.462711     -0.653430
  H      -8.509466      0.667965      0.284040
  H      -3.486770     -1.864425      4.998668
  H      -3.954279      1.254099      2.021723
  H      -8.281041     10.544651     -0.426666
  H      -6.715383     10.720511     -1.234951
  H      -8.080608      9.954340     -2.115955
  H      -6.473088     10.730287      1.166948
  H      -5.393587     10.422330      3.398343
  H      -4.703754      3.503481      3.657243
  H      -6.441162      6.455521      0.593457
  H     -14.055146     -0.903605      2.052268
  H     -12.832288     -0.028364      1.045654
  H     -13.811375      0.866190      2.200311
  H     -11.775497      2.027914      1.720085
  H      -9.833822      3.576163      2.050785
  H      -6.476266      1.677233      7.218332
  H     -10.205607     -0.522302      4.794828
  N      -2.267297      1.987528      3.231907
  H      -2.224455      2.336912      2.249613
88
Coordinates from ORCA-job orca E -6669.239537152315
  N      -2.495070      0.008714      5.415900
  Mo     -3.185393      1.801626      4.693705
  N      -4.697181      1.900284      6.172587
  C      -4.172599      2.603002      7.351647
  C      -2.707586      2.237991      7.602672
  N      -1.824930      2.258436      6.363124
  C      -0.766349      1.193818      6.470957
  C      -1.424454     -0.182472      6.364568
  C      -1.180974      3.598450      6.124332
  C      -2.250356      4.610435      5.736162
  N      -3.243491      3.855027      4.998115
  H      -0.688910     -0.922053      6.007544
  H      -1.819119     -0.538298      7.329852
  H      -0.077608      1.347268      5.630433
  H      -0.214096      1.319268      7.412848
  H      -2.710000      5.088748      6.616050
  H      -1.826022      5.411483      5.111859
  H      -0.621709      3.894731      7.024833
  H      -0.473211      3.457921      5.297242
  H      -4.741435      2.310164      8.249615
  H      -4.301346      3.690085      7.232970
  H      -2.670104      1.214726      7.993789
  H      -2.253174      2.906883      8.349628
  C      -4.798938      4.003744     -0.784065
  C      -4.398987      3.027930      0.268664
  O      -3.292165      3.066579      0.767056
  C      -5.379221      2.002196      0.711670
  C      -6.683404      1.846358      0.185747
  C      -7.514852      0.846304      0.663785
  C      -7.066538      0.015735      1.686911
  F      -7.888678     -0.932672      2.132422
  C      -5.782701      0.176029      2.265163
  C      -5.250803     -0.655114      3.365380
  O      -5.636590     -1.798792      3.636669
  N      -4.183390     -0.047114      4.070801
  C      -3.386768     -0.783206      4.848065
  C      -4.964064      1.153929      1.726995
  C      -7.546400     10.114525     -1.166061
  C      -7.157777      8.742727     -0.654774
  O      -7.365118      7.727849     -1.322764
  C      -6.504330      8.640352      0.694975
  C      -6.170873      9.762666      1.475144
  C      -5.557564      9.598684      2.716621
  C      -5.269567      8.313090      3.182382
  F      -4.699729      8.218816      4.402701
  C      -5.584468      7.160126      2.434528
  C      -5.311630      5.740384      2.829375
  O      -5.865797      4.821561      2.222779
  N      -4.376323      5.564749      3.848967
  C      -4.143206      4.310623      4.154775
  C      -6.210677      7.366678      1.195220
  C     -13.312704     -0.122677      2.085288
  C     -12.245868     -0.409005      3.142139
  O     -12.297766     -1.367633      3.861458
  C     -11.117640      0.563581      3.264262
  C     -11.028921      1.742983      2.473792
  C      -9.955230      2.613343      2.641498
  C      -8.969205      2.318511      3.569507
  F      -7.948339      3.181362      3.731253
  C      -9.018770      1.161918      4.361142
  C      -7.994048      0.783289      5.386392
  O      -8.274990      0.033364      6.321350
  N      -6.703694      1.263035      5.157181
  C      -6.012506      1.584308      6.210121
  C     -10.116747      0.300547      4.204940
  H      -5.693292      4.563938     -0.461646
  H      -3.974816      4.704025     -0.981834
  H      -5.063929      3.465010     -1.715179
  H      -7.052155      2.499818     -0.604311
  H      -8.519888      0.703630      0.264515
  H      -3.469105     -1.869937      4.980439
  H      -3.931325      1.242945      2.084091
  H      -8.214530     10.627802     -0.453081
  H      -6.654710     10.746702     -1.283216
  H      -8.048684     10.013111     -2.136171
  H      -6.388274     10.772301      1.119442
  H      -5.299069     10.453640      3.342221
  H      -4.741738      3.502246      3.642246
  H      -6.472436      6.493386      0.598919
  H     -14.046525     -0.913609      2.110466
  H     -12.882255     -0.072159      1.075696
  H     -13.810049      0.849676      2.267911
  H     -11.795446      1.975664      1.744741
  H      -9.858907      3.506331      2.081199
  H      -6.498178      1.645730      7.202145
  H     -10.181934     -0.627548      4.840236
  N      -2.292886      1.994710      3.197794
  H      -2.268697      2.348208      2.216936
88
Coordinates from ORCA-job orca E -6669.237975239661
  N      -2.507533      0.009071      5.422505
  Mo     -3.192676      1.804863      4.698126
  N      -4.713701      1.907122      6.165346
  C      -4.194876      2.609865      7.347254
  C      -2.735795      2.240846      7.608540
  N      -1.843990      2.259459      6.376049
  C      -0.788728      1.191949      6.488323
  C      -1.444470     -0.184380      6.375799
  C      -1.198612      3.598643      6.142602
  C      -2.263927      4.611473      5.749696
  N      -3.251742      3.858616      5.004596
  H      -0.707633     -0.923152      6.021366
  H      -1.844405     -0.541537      7.339734
  H      -0.096020      1.346873      5.651094
  H      -0.240848      1.316654      7.433564
  H      -2.729086      5.089400      6.627256
  H      -1.834838      5.412709      5.128793
  H      -0.645697      3.893634      7.046409
  H      -0.486320      3.457367      5.319562
  H      -4.768680      2.318589      8.242635
  H      -4.319955      3.696292      7.227073
  H      -2.702938      1.218732      8.000995
  H      -2.287556      2.908839      8.358526
  C      -4.820827      4.038441     -0.875800
  C      -4.377726      3.061937      0.180989
  O      -3.253181      3.112095      0.643316
  C      -5.354442      2.025899      0.655979
  C      -6.655599      1.870040      0.152034
  C      -7.502442      0.870990      0.655204
  C      -7.057988      0.041118      1.678735
  F      -7.893254     -0.899445      2.147758
  C      -5.781023      0.194318      2.238228
  C      -5.259858     -0.643803      3.338752
  O      -5.616296     -1.762749      3.623212
  N      -4.186802     -0.047683      4.063787
  C      -3.397697     -0.779168      4.846242
  C      -4.952375      1.171956      1.677773
  C      -7.477273     10.127349     -1.138888
  C      -7.102747      8.756426     -0.638981
  O      -7.308999      7.752555     -1.310498
  C      -6.462473      8.644615      0.705439
  C      -6.131658      9.759801      1.488047
  C      -5.530513      9.592449      2.724705
  C      -5.252778      8.310862      3.182067
  F      -4.694051      8.212020      4.398460
  C      -5.565276      7.165328      2.432084
  C      -5.301538      5.749598      2.823553
  O      -5.847385      4.835370      2.225056
  N      -4.371427      5.573395      3.849782
  C      -4.146060      4.317826      4.156450
  C      -6.179127      7.373865      1.196801
  C     -13.321342     -0.220996      2.166933
  C     -12.263908     -0.451865      3.208912
  O     -12.323435     -1.448346      3.976702
  C     -11.129756      0.531571      3.308927
  C     -11.045526      1.686212      2.503287
  C      -9.978797      2.570638      2.628564
  C      -8.981027      2.283509      3.553989
  F      -7.973812      3.181336      3.657490
  C      -9.022983      1.143160      4.368435
  C      -7.993263      0.785328      5.382816
  O      -8.257181      0.083087      6.298693
  N      -6.709486      1.261658      5.143077
  C      -6.028976      1.595294      6.197262
  C     -10.125349      0.295086      4.233149
  H      -5.705001      4.585452     -0.521102
  H      -4.006181      4.744898     -1.101868
  H      -5.117217      3.512434     -1.804583
  H      -7.022235      2.522515     -0.637082
  H      -8.518230      0.732481      0.274763
  H      -3.483098     -1.862624      4.971364
  H      -3.928103      1.252754      2.021916
  H      -8.145135     10.633271     -0.430964
  H      -6.581836     10.760641     -1.245662
  H      -7.971662     10.032486     -2.104843
  H      -6.342141     10.768168      1.137635
  H      -5.274055     10.442810      3.353066
  H      -4.745375      3.511665      3.639495
  H      -6.439435      6.504104      0.597374
  H     -14.060198     -1.042284      2.215873
  H     -12.867762     -0.183117      1.151629
  H     -13.825562      0.747477      2.337502
  H     -11.827414      1.918828      1.769004
  H      -9.907795      3.507350      2.008441
  H      -6.521407      1.666841      7.183094
  H     -10.191528     -0.578053      4.855662
  N      -2.296753      1.993586      3.217368
  H      -2.277127      2.348828      2.241000
88
Coordinates from ORCA-job orca E -6669.238127874803
  N      -2.470274      0.009684      5.462043
  Mo     -3.157394      1.801608      4.724572
  N      -4.674353      1.913861      6.191129
  C      -4.153760      2.618796      7.370536
  C      -2.694684      2.249682      7.634681
  N      -1.805843      2.263475      6.401586
  C      -0.749056      1.196475      6.520856
  C      -1.406338     -0.178503      6.416055
  C      -1.161180      3.602647      6.162958
  C      -2.226535      4.614840      5.766389
  N      -3.214604      3.860220      5.021432
  H      -0.676559     -0.921058      6.070477
  H      -1.804533     -0.524113      7.381321
  H      -0.057178      1.346038      5.684824
  H      -0.200044      1.329746      7.466431
  H      -2.690387      5.096500      6.641157
  H      -1.795852      5.414865      5.142651
  H      -0.608178      3.901427      7.066672
  H      -0.448194      3.457203      5.343881
  H      -4.727241      2.333634      8.266817
  H      -4.277305      3.704611      7.244718
  H      -2.660448      1.229713      8.030932
  H      -2.241942      2.918296      8.380019
  C      -4.990655      3.961044     -0.935457
  C      -4.509219      3.010838      0.130470
  O      -3.324786      3.090858      0.605455
  C      -5.436988      1.960965      0.625801
  C      -6.733334      1.766081      0.129769
  C      -7.530269      0.758176      0.656758
  C      -7.055305     -0.045768      1.699018
  F      -7.856606     -0.998848      2.191848
  C      -5.783668      0.144813      2.253541
  C      -5.252149     -0.668441      3.378326
  O      -5.627853     -1.791263      3.686021
  N      -4.159697     -0.048504      4.101710
  C      -3.366930     -0.780701      4.889671
  C      -4.994161      1.132639      1.663051
  C      -7.540633     10.102958     -1.126181
  C      -7.124223      8.736653     -0.641057
  O      -7.281080      7.744025     -1.338613
  C      -6.509217      8.615516      0.721614
  C      -6.237409      9.725078      1.540646
  C      -5.655476      9.551033      2.792210
  C      -5.336308      8.268532      3.227204
  F      -4.799644      8.160605      4.458095
  C      -5.586222      7.130196      2.440504
  C      -5.274771      5.714917      2.805817
  O      -5.783584      4.776841      2.156614
  N      -4.345714      5.562583      3.852423
  C      -4.108000      4.314015      4.168853
  C      -6.185341      7.343473      1.192682
  C     -13.267393     -0.020409      2.027398
  C     -12.212767     -0.329012      3.095936
  O     -12.286431     -1.333308      3.835334
  C     -11.074820      0.630426      3.240667
  C     -10.967316      1.789447      2.471798
  C      -9.896790      2.655486      2.638997
  C      -8.917661      2.335230      3.577171
  F      -7.917542      3.236589      3.704414
  C      -8.977548      1.173982      4.367049
  C      -7.969885      0.802040      5.372458
  O      -8.280952      0.031900      6.321656
  N      -6.661487      1.288429      5.154163
  C      -5.989033      1.606948      6.214776
  C     -10.084271      0.350357      4.186883
  H      -5.893412      4.503726     -0.595669
  H      -4.203753      4.671767     -1.153220
  H      -5.266506      3.417811     -1.848633
  H      -7.130638      2.396905     -0.670040
  H      -8.538345      0.587458      0.284438
  H      -3.463850     -1.874533      5.020144
  H      -3.982679      1.247235      1.998670
  H      -8.245415     10.576206     -0.422922
  H      -6.663503     10.764536     -1.197558
  H      -8.008452     10.011159     -2.113929
  H      -6.481056     10.733723      1.207432
  H      -5.445947     10.395735      3.449262
  H      -4.706863      3.499861      3.652447
  H      -6.401521      6.477226      0.566577
  H     -14.012212     -0.798645      2.039132
  H     -12.829793      0.032590      1.029727
  H     -13.757538      0.945798      2.204931
  H     -11.726850      2.030532      1.737050
  H      -9.808103      3.590029      2.047806
  H      -6.484634      1.670307      7.197968
  H     -10.162761     -0.541560      4.791469
  N      -2.259788      1.983571      3.241948
  H      -2.222290      2.326013      2.258784
88
Coordinates from ORCA-job orca E -6669.241041360034
  N      -2.478641      0.006743      5.435759
  Mo     -3.166528      1.798639      4.709517
  N      -4.683979      1.904869      6.178779
  C      -4.160722      2.605192      7.359827
  C      -2.700316      2.236151      7.615875
  N      -1.811208      2.256128      6.381243
  C      -0.752287      1.191399      6.494378
  C      -1.411061     -0.185869      6.386926
  C      -1.165992      3.596629      6.146057
  C      -2.234167      4.608957      5.754091
  N      -3.224649      3.855052      5.011335
  H      -0.674774     -0.926221      6.032191
  H      -1.808601     -0.541563      7.351692
  H      -0.060643      1.344828      5.655333
  H      -0.201936      1.318280      7.438930
  H      -2.698172      5.087489      6.632238
  H      -1.806123      5.411410      5.131913
  H      -0.611095      3.892391      7.049509
  H      -0.453881      3.455596      5.322229
  H      -4.731594      2.312644      8.256349
  H      -4.285627      3.692645      7.242914
  H      -2.666047      1.212340      8.006568
  H      -2.248322      2.903675      8.365519
  C      -4.885414      3.976280     -0.887583
  C      -4.435042      3.017707      0.172165
  O      -3.284122      3.081811      0.632191
  C      -5.400419      1.976020      0.664687
  C      -6.707653      1.805844      0.173180
  C      -7.527509      0.805463      0.688839
  C      -7.057392     -0.011305      1.716855
  F      -7.871636     -0.955288      2.198116
  C      -5.772121      0.159576      2.266812
  C      -5.231953     -0.657607      3.376715
  O      -5.594451     -1.773669      3.677859
  N      -4.166294     -0.049968      4.083620
  C      -3.369151     -0.780370      4.866544
  C      -4.968290      1.135679      1.690493
  C      -7.530216     10.104538     -1.143651
  C      -7.122853      8.738897     -0.645487
  O      -7.293444      7.734811     -1.333152
  C      -6.497890      8.631404      0.717204
  C      -6.212743      9.750190      1.524775
  C      -5.624496      9.584394      2.777581
  C      -5.312604      8.301276      3.226972
  F      -4.770068      8.203334      4.459374
  C      -5.577228      7.153031      2.450931
  C      -5.276291      5.734876      2.825935
  O      -5.802718      4.803563      2.191916
  N      -4.348187      5.569211      3.859340
  C      -4.120617      4.316079      4.165034
  C      -6.180738      7.359778      1.201444
  C     -13.318217     -0.133884      2.075230
  C     -12.268314     -0.353999      3.109313
  O     -12.332784     -1.314564      3.840820
  C     -11.131858      0.626812      3.229790
  C     -11.034277      1.787788      2.439305
  C      -9.956048      2.653459      2.600570
  C      -8.964473      2.356594      3.535209
  F      -7.940098      3.211118      3.683159
  C      -9.011871      1.202396      4.344888
  C      -7.971993      0.812225      5.387532
  O      -8.241461      0.051847      6.350851
  N      -6.683705      1.283905      5.156473
  C      -5.998764      1.601117      6.210557
  C     -10.125538      0.363990      4.180120
  H      -5.768459      4.526409     -0.544914
  H      -4.079625      4.685092     -1.123675
  H      -5.172327      3.430525     -1.792430
  H      -7.095121      2.448912     -0.618583
  H      -8.540352      0.652699      0.317668
  H      -3.452577     -1.862930      5.001509
  H      -3.934575      1.231628      2.022011
  H      -8.224684     10.589487     -0.440517
  H      -6.648190     10.759569     -1.228348
  H      -8.006936     10.005539     -2.128290
  H      -6.449907     10.758255      1.181196
  H      -5.404353     10.436066      3.425032
  H      -4.723273      3.512445      3.651389
  H      -6.404779      6.488120      0.583154
  H     -14.062897     -0.962325      2.116478
  H     -12.850293     -0.089200      1.078354
  H     -13.831503      0.821900      2.243871
  H     -11.805262      2.017523      1.703421
  H      -9.859193      3.536137      2.035282
  H      -6.486410      1.667208      7.200764
  H     -10.196931     -0.541477      4.810610
  N      -2.277167      1.988387      3.220949
  H      -2.258810      2.341784      2.236819
88
Coordinates from ORCA-job orca E -6669.237234996504
  N      -2.493583      0.006445      5.407900
  Mo     -3.201160      1.789740      4.673276
  N      -4.704315      1.898833      6.155305
  C      -4.173549      2.611464      7.325436
  C      -2.708239      2.252796      7.572616
  N      -1.832965      2.268587      6.329522
  C      -0.768347      1.212359      6.439500
  C      -1.414514     -0.168193      6.350735
  C      -1.201097      3.609810      6.075420
  C      -2.278384      4.610051      5.685353
  N      -3.270346      3.844522      4.957250
  H      -0.678242     -0.905489      5.996922
  H      -1.798109     -0.514714      7.324226
  H      -0.088259      1.364909      5.592258
  H      -0.209697      1.351281      7.376071
  H      -2.735666      5.092294      6.563171
  H      -1.862640      5.408172      5.052555
  H      -0.639586      3.917074      6.970523
  H      -0.496851      3.466656      5.246598
  H      -4.734913      2.324033      8.229052
  H      -4.306444      3.695717      7.197018
  H      -2.663085      1.234317      7.973245
  H      -2.253626      2.928989      8.311590
  C      -4.715638      3.992394     -0.716621
  C      -4.320739      2.989452      0.316622
  O      -3.220861      2.997058      0.799819
  C      -5.317478      1.969806      0.749700
  C      -6.613990      1.833606      0.223999
  C      -7.472002      0.839722      0.696810
  C      -7.051856     -0.003256      1.711900
  F      -7.897457     -0.941009      2.153820
  C      -5.775602      0.137052      2.288162
  C      -5.263571     -0.696192      3.384233
  O      -5.638839     -1.821314      3.673801
  N      -4.189883     -0.079329      4.078243
  C      -3.388113     -0.799313      4.851841
  C      -4.935637      1.107065      1.756463
  C      -7.531811     10.151871     -1.147519
  C      -7.151985      8.774815     -0.651266
  O      -7.352081      7.765152     -1.332451
  C      -6.514975      8.657379      0.699542
  C      -6.194549      9.770402      1.495448
  C      -5.595672      9.594549      2.737324
  C      -5.308666      8.305119      3.186736
  F      -4.754355      8.198935      4.408930
  C      -5.609924      7.160351      2.421370
  C      -5.337411      5.740150      2.801272
  O      -5.879464      4.830641      2.197784
  N      -4.400725      5.556447      3.813027
  C      -4.176032      4.299841      4.119895
  C      -6.222777      7.379333      1.182252
  C     -13.335033     -0.101567      2.091185
  C     -12.271710     -0.395157      3.148283
  O     -12.332775     -1.350469      3.865125
  C     -11.129049      0.552899      3.282973
  C     -11.025704      1.724909      2.497186
  C      -9.943506      2.595721      2.657153
  C      -8.956570      2.288236      3.586128
  F      -7.934676      3.170521      3.730364
  C      -9.021817      1.139144      4.372322
  C      -8.007637      0.764325      5.386711
  O      -8.295821      0.037324      6.305145
  N      -6.712293      1.253651      5.147281
  C      -6.023089      1.585185      6.198879
  C     -10.130828      0.290774      4.216347
  H      -5.592970      4.549060     -0.377224
  H      -3.890843      4.690273     -0.910558
  H      -4.993360      3.483805     -1.654690
  H      -6.961459      2.498911     -0.560447
  H      -8.476700      0.714154      0.298833
  H      -3.465367     -1.884794      4.987252
  H      -3.910884      1.177911      2.117144
  H      -8.208070     10.654123     -0.438379
  H      -6.639016     10.788299     -1.246318
  H      -8.021125     10.061719     -2.119395
  H      -6.412399     10.782719      1.152776
  H      -5.348936     10.442045      3.375638
  H      -4.783260      3.495065      3.614730
  H      -6.474472      6.514255      0.572297
  H     -14.079107     -0.885572      2.118507
  H     -12.911288     -0.060448      1.077145
  H     -13.810663      0.875336      2.272511
  H     -11.800582      1.986121      1.751303
  H      -9.853170      3.541680      2.058539
  H      -6.508847      1.653867      7.190315
  H     -10.214667     -0.598251      4.824149
  N      -2.329090      1.975191      3.169782
  H      -2.338436      2.322172      2.187777
88
Coordinates from ORCA-job orca E -6669.239221682415
  N      -2.464259      0.011032      5.454287
  Mo     -3.163740      1.800346      4.720630
  N      -4.686612      1.904909      6.183097
  C      -4.170530      2.610126      7.365281
  C      -2.708134      2.248703      7.628411
  N      -1.814935      2.270154      6.395612
  C      -0.750550      1.209130      6.513567
  C      -1.397364     -0.173777      6.405174
  C      -1.177972      3.615462      6.160424
  C      -2.249772      4.621690      5.763727
  N      -3.232908      3.860707      5.017523
  H      -0.658377     -0.909717      6.052224
  H      -1.791912     -0.531664      7.370261
  H      -0.058294      1.364668      5.676917
  H      -0.202655      1.345139      7.458288
  H      -2.718776      5.099913      6.639172
  H      -1.823363      5.425837      5.142164
  H      -0.628405      3.917290      7.064604
  H      -0.462119      3.476409      5.340553
  H      -4.743156      2.316575      8.260980
  H      -4.301376      3.696867      7.245017
  H      -2.669904      1.226794      8.021554
  H      -2.262836      2.918752      8.378009
  C      -4.976966      3.954162     -0.929017
  C      -4.499515      3.001933      0.144339
  O      -3.358337      3.074900      0.620215
  C      -5.428668      1.959775      0.629813
  C      -6.733957      1.773281      0.135002
  C      -7.541234      0.766296      0.658423
  C      -7.062680     -0.041528      1.695907
  F      -7.876212     -0.992986      2.188515
  C      -5.778608      0.143591      2.247660
  C      -5.238080     -0.673221      3.368938
  O      -5.607792     -1.805333      3.669851
  N      -4.150735     -0.054996      4.095558
  C      -3.355611     -0.780345      4.884864
  C      -4.980621      1.128689      1.660187
  C      -7.475242     10.140523     -1.124518
  C      -7.085367      8.768263     -0.638584
  O      -7.255969      7.778328     -1.332296
  C      -6.478879      8.638706      0.721028
  C      -6.201066      9.740711      1.538854
  C      -5.630754      9.558929      2.788874
  C      -5.328418      8.276347      3.223178
  F      -4.801913      8.160415      4.452194
  C      -5.583325      7.144907      2.436916
  C      -5.285050      5.729923      2.803155
  O      -5.798204      4.807356      2.166494
  N      -4.360069      5.566342      3.848467
  C      -4.128202      4.314638      4.165098
  C      -6.171486      7.365695      1.190308
  C     -13.275146     -0.099083      2.080653
  C     -12.221943     -0.360750      3.129618
  O     -12.283957     -1.375332      3.884606
  C     -11.094464      0.623081      3.247462
  C     -10.998089      1.774446      2.473100
  C      -9.934055      2.650576      2.622421
  C      -8.947754      2.342469      3.553060
  F      -7.946342      3.244389      3.673359
  C      -8.995200      1.185963      4.348519
  C      -7.973224      0.807117      5.361847
  O      -8.250746      0.064945      6.272453
  N      -6.680224      1.284758      5.142023
  C      -6.003003      1.598388      6.204359
  C     -10.097231      0.352490      4.183690
  H      -5.887065      4.500672     -0.574678
  H      -4.167590      4.660570     -1.146769
  H      -5.267475      3.413123     -1.866034
  H      -7.135572      2.408712     -0.658267
  H      -8.560171      0.603984      0.287875
  H      -3.446478     -1.871222      5.020333
  H      -3.959579      1.234662      1.995125
  H      -8.172885     10.623555     -0.426092
  H      -6.589079     10.787472     -1.194255
  H      -7.940241     10.056802     -2.107937
  H      -6.430587     10.750376      1.205398
  H      -5.416522     10.398534      3.445039
  H      -4.726830      3.502947      3.651199
  H      -6.391070      6.504848      0.563588
  H     -14.008817     -0.912459      2.114270
  H     -12.809923     -0.037449      1.070353
  H     -13.796000      0.864457      2.264026
  H     -11.756157      1.991029      1.759155
  H      -9.854421      3.583569      2.023354
  H      -6.499400      1.659395      7.186728
  H     -10.157555     -0.559030      4.809968
  N      -2.267944      1.986454      3.234490
  H      -2.237281      2.328409      2.252501
88
Coordinates from ORCA-job orca E -6669.240418839296
  N      -2.463431      0.007910      5.452751
  Mo     -3.154832      1.796705      4.724193
  N      -4.677072      1.902536      6.185588
  C      -4.158591      2.601541      7.368968
  C      -2.698863      2.234498      7.628998
  N      -1.805887      2.257530      6.397396
  C      -0.744886      1.197084      6.514893
  C      -1.398268     -0.180518      6.405390
  C      -1.164495      3.598882      6.164265
  C      -2.232540      4.608014      5.768641
  N      -3.218720      3.853655      5.022629
  H      -0.660359     -0.917392      6.052233
  H      -1.796074     -0.537319      7.368540
  H      -0.051403      1.351966      5.678819
  H      -0.199050      1.326873      7.460850
  H      -2.699831      5.085293      6.644978
  H      -1.804035      5.411040      5.148359
  H      -0.613835      3.895670      7.069490
  H      -0.449931      3.459459      5.343392
  H      -4.730839      2.306041      8.263399
  H      -4.285364      3.688125      7.253999
  H      -2.664076      1.211226      8.018112
  H      -2.250355      2.901318      8.380275
  C      -4.969812      3.946977     -0.961430
  C      -4.492023      3.006460      0.097414
  O      -3.306805      3.098680      0.520551
  C      -5.438314      1.953342      0.634594
  C      -6.747384      1.767462      0.172367
  C      -7.544117      0.762734      0.714873
  C      -7.050997     -0.044032      1.741778
  F      -7.839297     -0.991952      2.244607
  C      -5.768752      0.140680      2.269115
  C      -5.215834     -0.670579      3.382309
  O      -5.568960     -1.787688      3.694151
  N      -4.150673     -0.053173      4.093770
  C      -3.351435     -0.782648      4.882981
  C      -4.984612      1.120489      1.665837
  C      -7.527834     10.104600     -1.141208
  C      -7.107768      8.739505     -0.650471
  O      -7.257667      7.740615     -1.350159
  C      -6.499993      8.627431      0.721666
  C      -6.248262      9.743341      1.548128
  C      -5.677674      9.574178      2.811132
  C      -5.350066      8.290761      3.251732
  F      -4.828096      8.186985      4.495377
  C      -5.580020      7.146363      2.457028
  C      -5.261346      5.728826      2.823643
  O      -5.773489      4.790537      2.172267
  N      -4.338155      5.569417      3.866761
  C      -4.111275      4.316357      4.173667
  C      -6.166232      7.355193      1.197223
  C     -13.290272     -0.056959      2.036334
  C     -12.241630     -0.326501      3.098335
  O     -12.320208     -1.314187      3.837874
  C     -11.095122      0.634123      3.238269
  C     -10.990553      1.810404      2.446565
  C      -9.911668      2.670782      2.612447
  C      -8.930261      2.359122      3.547153
  F      -7.910222      3.221545      3.693790
  C      -8.989272      1.198370      4.347924
  C      -7.964545      0.812832      5.373314
  O      -8.255480      0.046608      6.324544
  N      -6.668899      1.290892      5.151663
  C      -5.990913      1.603249      6.208792
  C     -10.100741      0.365859      4.180851
  H      -5.845102      4.496389     -0.612424
  H      -4.183912      4.661324     -1.221277
  H      -5.264607      3.385524     -1.840468
  H      -7.151372      2.401951     -0.619285
  H      -8.556774      0.597502      0.364909
  H      -3.431996     -1.868820      5.021529
  H      -3.952793      1.225474      1.977045
  H      -8.239083     10.572610     -0.441760
  H      -6.653107     10.773928     -1.207433
  H      -7.990844     10.008245     -2.135006
  H      -6.498738     10.751712      1.211890
  H      -5.484554     10.423265      3.473515
  H      -4.715477      3.513306      3.659257
  H      -6.362771      6.485022      0.564005
  H     -14.040693     -0.852022      2.053306
  H     -12.841544     -0.010501      1.047858
  H     -13.778479      0.903963      2.207204
  H     -11.764530      2.068011      1.693711
  H      -9.811885      3.572291      2.041058
  H      -6.483438      1.666737      7.196053
  H     -10.184037     -0.510191      4.781006
  N      -2.267367      1.985441      3.240890
  H      -2.248407      2.335216      2.254143
88
Coordinates from ORCA-job orca E -6669.240102821795
  N      -2.466198      0.010186      5.433899
  Mo     -3.175190      1.792423      4.692086
  N      -4.691652      1.902173      6.159710
  C      -4.169902      2.611995      7.337298
  C      -2.705438      2.254897      7.595303
  N      -1.818665      2.274126      6.360338
  C      -0.751298      1.219438      6.475576
  C      -1.394879     -0.161479      6.381184
  C      -1.186381      3.615985      6.114741
  C      -2.258820      4.615685      5.714144
  N      -3.242167      3.850375      4.974174
  H      -0.658655     -0.899145      6.033249
  H      -1.784307     -0.504360      7.350116
  H      -0.065613      1.372833      5.633706
  H      -0.198771      1.359183      7.416755
  H      -2.725589      5.100323      6.586450
  H      -1.834494      5.412763      5.086753
  H      -0.635477      3.924507      7.016408
  H      -0.472546      3.472326      5.294685
  H      -4.738519      2.322303      8.235592
  H      -4.302533      3.696906      7.211499
  H      -2.662317      1.235336      7.993767
  H      -2.258035      2.930657      8.340149
  C      -4.933629      3.956413     -0.807946
  C      -4.423851      2.980303      0.245159
  O      -3.289922      3.039670      0.727356
  C      -5.366743      1.931971      0.710657
  C      -6.670498      1.754912      0.205119
  C      -7.495801      0.751019      0.708644
  C      -7.037022     -0.064685      1.737437
  F      -7.862477     -1.010132      2.214971
  C      -5.749875      0.110728      2.294574
  C      -5.218428     -0.699228      3.404881
  O      -5.581853     -1.819094      3.699817
  N      -4.155361     -0.079587      4.100552
  C      -3.360306     -0.797998      4.880609
  C      -4.938399      1.091322      1.729080
  C      -7.515803     10.151766     -1.121145
  C      -7.128873      8.775941     -0.631668
  O      -7.319629      7.773811     -1.318444
  C      -6.496389      8.655809      0.719087
  C      -6.194589      9.767245      1.524125
  C      -5.601973      9.590667      2.767857
  C      -5.302390      8.302958      3.209383
  F      -4.757271      8.194010      4.434813
  C      -5.583510      7.161384      2.435031
  C      -5.297891      5.741868      2.808454
  O      -5.834711      4.824319      2.194771
  N      -4.361362      5.563056      3.825097
  C      -4.142572      4.307514      4.131282
  C      -6.190644      7.379328      1.194586
  C     -13.312430     -0.088784      2.050246
  C     -12.262973     -0.336176      3.083280
  O     -12.321347     -1.298723      3.789615
  C     -11.124712      0.624265      3.219898
  C     -11.018617      1.788089      2.451184
  C      -9.935001      2.649011      2.626118
  C      -8.946871      2.336114      3.555022
  F      -7.922473      3.198849      3.713092
  C      -9.008301      1.184540      4.335317
  C      -7.985377      0.789676      5.361679
  O      -8.272453      0.022072      6.314712
  N      -6.687376      1.274142      5.130283
  C      -6.008178      1.592600      6.189951
  C     -10.122135      0.345393      4.162366
  H      -5.837323      4.460537     -0.432208
  H      -4.145987      4.678740     -1.036016
  H      -5.229009      3.451573     -1.749409
  H      -7.055334      2.398396     -0.584048
  H      -8.509344      0.597074      0.329549
  H      -3.437159     -1.881662      5.019104
  H      -3.914666      1.190930      2.075054
  H      -8.198790     10.645724     -0.412819
  H      -6.627405     10.794413     -1.213595
  H      -7.999322     10.063296     -2.095714
  H      -6.423242     10.778356      1.187444
  H      -5.370600     10.436359      3.413768
  H      -4.750176      3.503663      3.621655
  H      -6.428030      6.514267      0.578128
  H     -14.054112     -0.909597      2.085662
  H     -12.844649     -0.033676      1.043507
  H     -13.827982      0.875019      2.233239
  H     -11.791584      2.044436      1.708405
  H      -9.842321      3.573141      2.049582
  H      -6.498988      1.654245      7.178705
  H     -10.193994     -0.583582      4.789074
  N      -2.289807      1.966611      3.199983
  H      -2.283649      2.299458      2.219906
88
Coordinates from ORCA-job orca E -6669.240946430838
  N      -2.450381      0.012167      5.425538
  Mo     -3.178262      1.795419      4.697069
  N      -4.689166      1.888460      6.172563
  C      -4.163842      2.596469      7.348355
  C      -2.694569      2.247734      7.595431
  N      -1.812206      2.279225      6.354148
  C      -0.732995      1.230694      6.461826
  C      -1.366163     -0.161659      6.366341
  C      -1.189892      3.632153      6.109983
  C      -2.277793      4.627461      5.722143
  N      -3.261670      3.855874      4.986230
  H      -0.619144     -0.890968      6.004607
  H      -1.746520     -0.525082      7.340610
  H      -0.051564      1.394865      5.614671
  H      -0.173789      1.373947      7.399501
  H      -2.744527      5.102087      6.601225
  H      -1.864877      5.436532      5.094046
  H      -0.634101      3.940058      7.008792
  H      -0.479048      3.500318      5.282196
  H      -4.724306      2.296041      8.250570
  H      -4.305534      3.683298      7.229291
  H      -2.642164      1.224424      7.989235
  H      -2.248737      2.923052      8.340827
  C      -4.817889      3.940364     -0.826080
  C      -4.424584      2.968515      0.219983
  O      -3.305960      3.019885      0.693028
  C      -5.394864      1.937392      0.692002
  C      -6.699028      1.776216      0.196110
  C      -7.528792      0.776359      0.703908
  C      -7.067746     -0.046833      1.726153
  F      -7.892517     -0.990316      2.202810
  C      -5.784896      0.117531      2.277645
  C      -5.244504     -0.702991      3.384837
  O      -5.600905     -1.832766      3.679213
  N      -4.158056     -0.078824      4.092137
  C      -3.343135     -0.791915      4.870036
  C      -4.974135      1.092386      1.709669
  C      -7.463790     10.157299     -1.150460
  C      -7.086894      8.782140     -0.654366
  O      -7.252875      7.785249     -1.350733
  C      -6.493890      8.654250      0.714152
  C      -6.222538      9.757945      1.536506
  C      -5.664685      9.575147      2.794404
  C      -5.368961      8.289027      3.233071
  F      -4.855735      8.173428      4.469675
  C      -5.620110      7.154361      2.441885
  C      -5.330375      5.736565      2.809642
  O      -5.847294      4.819995      2.174439
  N      -4.399640      5.563499      3.839335
  C      -4.168343      4.309338      4.147504
  C      -6.193965      7.378243      1.187058
  C     -13.320888     -0.069347      2.060781
  C     -12.265386     -0.352498      3.119335
  O     -12.331709     -1.335522      3.850129
  C     -11.128015      0.616538      3.250925
  C     -11.022370      1.770540      2.482393
  C      -9.953156      2.649981      2.633982
  C      -8.961876      2.330086      3.570963
  F      -7.952847      3.226830      3.702610
  C      -9.012030      1.158392      4.370508
  C      -7.990057      0.772004      5.384617
  O      -8.265755      0.037228      6.289199
  N      -6.696752      1.258767      5.154264
  C      -6.008728      1.576778      6.208349
  C     -10.122848      0.331204      4.198299
  H      -5.697961      4.506757     -0.501699
  H      -3.996629      4.641845     -1.025443
  H      -5.085504      3.397610     -1.744788
  H      -7.080126      2.425863     -0.590419
  H      -8.547144      0.632428      0.331568
  H      -3.413585     -1.878044      5.007858
  H      -3.946265      1.179791      2.047052
  H      -8.170119     10.645424     -0.462156
  H      -6.572959     10.801360     -1.211784
  H      -7.918051     10.072425     -2.140832
  H      -6.446895     10.768955      1.200625
  H      -5.455950     10.415795      3.453056
  H      -4.772348      3.500644      3.640771
  H      -6.405977      6.518561      0.555685
  H     -14.060643     -0.865239      2.082641
  H     -12.879667     -0.013890      1.051096
  H     -13.810292      0.897732      2.246513
  H     -11.774714      1.983585      1.777163
  H      -9.862466      3.571475      2.052067
  H      -6.497137      1.635179      7.197896
  H     -10.195839     -0.574663      4.812902
  N      -2.306728      1.990709      3.189055
  H      -2.304155      2.334173      2.199501
88
Coordinates from ORCA-job orca E -6669.240327299314
  N      -2.456966      0.007817      5.458908
  Mo     -3.159372      1.788141      4.717477
  N      -4.681916      1.904440      6.171840
  C      -4.163496      2.609724      7.352650
  C      -2.704384      2.247061      7.617676
  N      -1.811764      2.266511      6.388410
  C      -0.747315      1.212242      6.511558
  C      -1.391843     -0.166733      6.411324
  C      -1.177381      3.607381      6.149172
  C      -2.246376      4.608971      5.744356
  N      -3.228009      3.846795      5.000153
  H      -0.653689     -0.901564      6.065031
  H      -1.784933     -0.514824      7.375176
  H      -0.057965      1.363942      5.674820
  H      -0.200740      1.351337      7.455528
  H      -2.715804      5.091413      6.615598
  H      -1.819839      5.407474      5.120738
  H      -0.630542      3.912559      7.053676
  H      -0.461587      3.464846      5.332604
  H      -4.735033      2.319792      8.246980
  H      -4.291014      3.693391      7.230859
  H      -2.667907      1.228420      8.012129
  H      -2.259271      2.917703      8.366102
  C      -4.971670      3.901752     -0.915214
  C      -4.481413      2.950618      0.145178
  O      -3.326507      3.014608      0.593311
  C      -5.426078      1.911694      0.649216
  C      -6.736151      1.728646      0.171655
  C      -7.538194      0.725067      0.706034
  C      -7.054722     -0.082019      1.739189
  F      -7.854178     -1.030691      2.239492
  C      -5.769873      0.101531      2.275641
  C      -5.220729     -0.707446      3.395184
  O      -5.582129     -1.836809      3.710573
  N      -4.147239     -0.076212      4.107240
  C      -3.342743     -0.793171      4.901641
  C      -4.976409      1.080553      1.677769
  C      -7.523501     10.155866     -1.115509
  C      -7.104932      8.785257     -0.643276
  O      -7.250490      7.800755     -1.356878
  C      -6.504586      8.650452      0.728556
  C      -6.260627      9.748697      1.572682
  C      -5.697004      9.558943      2.833953
  C      -5.368343      8.272243      3.253920
  F      -4.853093      8.146421      4.496026
  C      -5.589693      7.145245      2.441648
  C      -5.268571      5.725910      2.790633
  O      -5.775726      4.799479      2.129487
  N      -4.343828      5.560501      3.833663
  C      -4.122260      4.306315      4.148741
  C      -6.170388      7.373875      1.184420
  C     -13.257194     -0.056006      2.055305
  C     -12.210352     -0.328139      3.113540
  O     -12.284592     -1.339195      3.858399
  C     -11.072753      0.646811      3.243268
  C     -10.979252      1.839544      2.447797
  C      -9.904303      2.698835      2.612032
  C      -8.924288      2.384541      3.536396
  F      -7.910339      3.257151      3.679843
  C      -8.984724      1.233117      4.318231
  C      -7.962054      0.845208      5.329499
  O      -8.246483      0.093984      6.257424
  N      -6.672543      1.304303      5.124644
  C      -5.997077      1.610438      6.189806
  C     -10.088385      0.392510      4.158822
  H      -5.870335      4.461024     -0.547912
  H      -4.164104      4.601311     -1.152565
  H      -5.281183      3.352878     -1.836736
  H      -7.134734      2.363593     -0.621925
  H      -8.548759      0.562823      0.344795
  H      -3.423006     -1.882459      5.048178
  H      -3.946844      1.183453      1.998306
  H      -8.239310     10.613065     -0.415165
  H      -6.651118     10.823347     -1.164214
  H      -7.979967     10.075274     -2.112495
  H      -6.511912     10.760671      1.252323
  H      -5.510278     10.394907      3.510269
  H      -4.727347      3.504189      3.639073
  H      -6.363179      6.515862      0.538434
  H     -14.001336     -0.858374      2.072358
  H     -12.793305      0.002520      1.060724
  H     -13.762936      0.906949      2.234138
  H     -11.760335      2.116826      1.689766
  H      -9.815215      3.621672      2.029851
  H      -6.491613      1.677373      7.171220
  H     -10.166296     -0.486508      4.753958
  N      -2.277517      1.964767      3.227547
  H      -2.267744      2.300327      2.240762
88
Coordinates from ORCA-job orca E -6669.240617375928
  N      -2.445984      0.013338      5.445488
  Mo     -3.166739      1.789816      4.708194
  N      -4.679452      1.892198      6.174511
  C      -4.157121      2.601804      7.351355
  C      -2.690441      2.251765      7.603176
  N      -1.806175      2.279207      6.366229
  C      -0.731921      1.233094      6.481881
  C      -1.368077     -0.153332      6.389380
  C      -1.182476      3.625843      6.117636
  C      -2.263372      4.618945      5.719850
  N      -3.246944      3.848318      4.985580
  H      -0.624283     -0.882466      6.034420
  H      -1.751353     -0.506996      7.360297
  H      -0.048864      1.391909      5.638473
  H      -0.178880      1.375868      7.422722
  H      -2.729810      5.098833      6.594376
  H      -1.847383      5.420926      5.089708
  H      -0.629215      3.935998      7.017476
  H      -0.471548      3.488303      5.293836
  H      -4.719223      2.302830      8.251499
  H      -4.297639      3.686811      7.231530
  H      -2.641160      1.231189      7.998481
  H      -2.244725      2.927942      8.348091
  C      -4.982651      3.919725     -0.881506
  C      -4.472548      2.964135      0.169652
  O      -3.285938      3.046634      0.595707
  C      -5.411991      1.907039      0.693568
  C      -6.721734      1.721640      0.228727
  C      -7.524660      0.715384      0.762901
  C      -7.036457     -0.094435      1.785436
  F      -7.832250     -1.041167      2.285207
  C      -5.751466      0.088816      2.312739
  C      -5.199770     -0.714030      3.423778
  O      -5.547259     -1.833156      3.736902
  N      -4.143598     -0.086163      4.114512
  C      -3.332386     -0.797095      4.894009
  C      -4.959883      1.070454      1.715961
  C      -7.504939     10.145485     -1.123731
  C      -7.107111      8.772821     -0.639988
  O      -7.270828      7.776649     -1.340301
  C      -6.499969      8.650358      0.725256
  C      -6.238080      9.760598      1.551844
  C      -5.670395      9.582626      2.809369
  C      -5.356389      8.295561      3.243747
  F      -4.837729      8.183140      4.483297
  C      -5.597640      7.156231      2.448897
  C      -5.294551      5.736796      2.813852
  O      -5.820596      4.811342      2.186205
  N      -4.364103      5.563542      3.840224
  C      -4.149398      4.306959      4.144533
  C      -6.179996      7.374102      1.194322
  C     -13.304502      0.000272      1.978474
  C     -12.262783     -0.280873      3.038615
  O     -12.346090     -1.267264      3.762799
  C     -11.107747      0.660126      3.198357
  C     -10.979404      1.811892      2.443112
  C      -9.888493      2.657944      2.633056
  C      -8.916333      2.343408      3.562167
  F      -7.886254      3.188458      3.731905
  C      -8.989146      1.180970      4.345621
  C      -7.973840      0.772796      5.378121
  O      -8.272009     -0.006237      6.318978
  N      -6.670767      1.267715      5.148517
  C      -5.994204      1.585089      6.203870
  C     -10.110208      0.358443      4.158477
  H      -5.857914      4.432427     -0.519090
  H      -4.220335      4.649542     -1.142233
  H      -5.274754      3.386361     -1.770111
  H      -7.126370      2.358882     -0.557794
  H      -8.541776      0.552720      0.412282
  H      -3.396049     -1.881352      5.039182
  H      -3.931333      1.174440      2.032035
  H      -8.208731     10.619714     -0.424085
  H      -6.621899     10.804601     -1.189994
  H      -7.968135     10.058553     -2.111790
  H      -6.478679     10.771739      1.220318
  H      -5.470095     10.427175      3.472176
  H      -4.760367      3.506148      3.640092
  H      -6.384573      6.508743      0.560170
  H     -14.058968     -0.795102      1.990451
  H     -12.851848      0.050987      0.985071
  H     -13.787425      0.967380      2.158668
  H     -11.745693      2.073143      1.693618
  H      -9.779373      3.581712      2.061918
  H      -6.485953      1.646305      7.193241
  H     -10.193174     -0.567859      4.779428
  N      -2.305250      1.973597      3.209660
  H      -2.323355      2.314782      2.218850
88
Coordinates from ORCA-job orca E -6669.240308204594
  N      -2.433723      0.013142      5.436155
  Mo     -3.171474      1.787663      4.697453
  N      -4.685828      1.887184      6.167610
  C      -4.163056      2.600303      7.342014
  C      -2.691962      2.258173      7.590548
  N      -1.808170      2.288595      6.350726
  C      -0.724379      1.246358      6.462613
  C      -1.349811     -0.147022      6.375126
  C      -1.193435      3.641556      6.099294
  C      -2.283169      4.629199      5.703980
  N      -3.262414      3.850509      4.969742
  H      -0.602438     -0.875405      6.016996
  H      -1.726442     -0.501044      7.350485
  H      -0.044489      1.408396      5.614922
  H      -0.166628      1.397915      7.398409
  H      -2.752926      5.109029      6.578923
  H      -1.871488      5.433393      5.072402
  H      -0.641384      3.957728      6.997470
  H      -0.480133      3.506253      5.274843
  H      -4.723667      2.301253      8.244686
  H      -4.308281      3.685868      7.218680
  H      -2.634879      1.236721      7.988073
  H      -2.248994      2.938034      8.334173
  C      -4.886103      3.889915     -0.813314
  C      -4.459640      2.923639      0.242445
  O      -3.330933      2.983148      0.728277
  C      -5.417842      1.885869      0.717272
  C      -6.729369      1.708064      0.219003
  C      -7.544119      0.703944      0.728793
  C      -7.066914     -0.109985      1.755930
  F      -7.877677     -1.058515      2.237983
  C      -5.774305      0.070125      2.306386
  C      -5.213180     -0.733051      3.416736
  O      -5.552038     -1.854927      3.716558
  N      -4.140522     -0.096514      4.111291
  C      -3.321645     -0.802959      4.889748
  C      -4.979017      1.050128      1.735379
  C      -7.461099     10.206624     -1.130843
  C      -7.082312      8.823072     -0.647856
  O      -7.244675      7.829669     -1.356948
  C      -6.490640      8.681218      0.721514
  C      -6.227047      9.778665      1.558318
  C      -5.673389      9.582973      2.818400
  C      -5.374121      8.289426      3.244246
  F      -4.867217      8.160598      4.484644
  C      -5.616530      7.161176      2.438077
  C      -5.324602      5.738468      2.794714
  O      -5.841655      4.825715      2.150153
  N      -4.392525      5.557441      3.821561
  C      -4.170788      4.302325      4.130597
  C      -6.186217      7.397927      1.181876
  C     -13.296839     -0.060240      2.042889
  C     -12.247636     -0.327159      3.076179
  O     -12.309373     -1.291174      3.776606
  C     -11.115900      0.639234      3.217591
  C     -11.014317      1.827861      2.448464
  C      -9.941398      2.705078      2.615839
  C      -8.946584      2.358757      3.559207
  F      -7.931050      3.246854      3.712314
  C      -9.002027      1.174237      4.343970
  C      -7.986643      0.776601      5.356804
  O      -8.277447      0.004026      6.285379
  N      -6.683668      1.267641      5.134089
  C      -6.005499      1.579450      6.197923
  C     -10.112908      0.344018      4.161200
  H      -5.776809      4.451034     -0.459968
  H      -4.055596      4.596171     -1.033972
  H      -5.178731      3.340461     -1.746065
  H      -7.121771      2.349847     -0.570886
  H      -8.564152      0.547423      0.355679
  H      -3.382935     -1.889659      5.031994
  H      -3.948117      1.150232      2.071897
  H      -8.172917     10.688791     -0.437870
  H      -6.572497     10.854089     -1.182672
  H      -7.911747     10.131208     -2.124302
  H      -6.455223     10.794308      1.233245
  H      -5.471899     10.417672      3.488371
  H      -4.778786      3.495427      3.624880
  H      -6.392907      6.543800      0.539855
  H     -14.036622     -0.874372      2.068932
  H     -12.828446      0.005741      1.037563
  H     -13.812590      0.901366      2.233104
  H     -11.766163      2.056646      1.739953
  H      -9.846601      3.624372      2.053447
  H      -6.497805      1.634574      7.188101
  H     -10.196206     -0.548105      4.747751
  N      -2.308585      1.973576      3.183934
  H      -2.327245      2.305752      2.195755
88
Coordinates from ORCA-job orca E -6669.239460268527
  N      -2.441689      0.004808      5.450316
  Mo     -3.168101      1.779077      4.703795
  N      -4.681509      1.895936      6.166793
  C      -4.157186      2.608968      7.340685
  C      -2.691960      2.258152      7.595824
  N      -1.806985      2.278549      6.359132
  C      -0.729954      1.232157      6.480982
  C      -1.361695     -0.158852      6.393902
  C      -1.184485      3.626768      6.107116
  C      -2.267321      4.617952      5.705320
  N      -3.249861      3.842185      4.972269
  H      -0.617868     -0.888629      6.042004
  H      -1.741785     -0.511638      7.365290
  H      -0.047688      1.386988      5.636476
  H      -0.175104      1.384012      7.420742
  H      -2.734622      5.101253      6.578087
  H      -1.852551      5.419074      5.073224
  H      -0.632043      3.942224      7.005422
  H      -0.472824      3.486486      5.284288
  H      -4.719452      2.316165      8.241095
  H      -4.294050      3.693274      7.216578
  H      -2.644153      1.239646      7.995141
  H      -2.247536      2.935982      8.338917
  C      -4.877187      3.884574     -0.836754
  C      -4.419951      2.909245      0.211038
  O      -3.301630      2.941780      0.663593
  C      -5.371060      1.883777      0.687726
  C      -6.670352      1.723848      0.204315
  C      -7.500191      0.726317      0.729758
  C      -7.042865     -0.093638      1.756995
  F      -7.876993     -1.033838      2.253580
  C      -5.762715      0.070184      2.295090
  C      -5.229844     -0.743717      3.409611
  O      -5.597149     -1.875671      3.722256
  N      -4.146181     -0.105084      4.116179
  C      -3.331637     -0.806091      4.903426
  C      -4.947984      1.040561      1.707859
  C      -7.520744     10.167731     -1.103922
  C      -7.111577      8.796582     -0.639415
  O      -7.253590      7.817103     -1.358674
  C      -6.523919      8.651200      0.730527
  C      -6.290243      9.739346      1.583538
  C      -5.740027      9.540566      2.843240
  C      -5.413771      8.254626      3.252716
  F      -4.911190      8.120662      4.492657
  C      -5.624532      7.136039      2.429794
  C      -5.303853      5.717907      2.767811
  O      -5.800230      4.798982      2.105056
  N      -4.377507      5.549456      3.807518
  C      -4.153916      4.296411      4.126729
  C      -6.192916      7.374491      1.174431
  C     -13.292507     -0.004579      2.035828
  C     -12.241038     -0.296701      3.102239
  O     -12.315560     -1.292633      3.835714
  C     -11.099022      0.673397      3.234768
  C     -10.997767      1.846748      2.455740
  C      -9.923424      2.707058      2.614399
  C      -8.935997      2.386365      3.542582
  F      -7.926937      3.274560      3.675619
  C      -8.994902      1.235210      4.321824
  C      -7.965670      0.834431      5.333143
  O      -8.230898      0.098477      6.231301
  N      -6.683573      1.294605      5.129972
  C      -6.001017      1.601453      6.191198
  C     -10.103797      0.404351      4.158663
  H      -5.771509      4.432507     -0.489451
  H      -4.079734      4.584465     -1.042005
  H      -5.159597      3.366032     -1.765079
  H      -7.054702      2.372029     -0.582384
  H      -8.516474      0.583339      0.367968
  H      -3.403467     -1.892508      5.054368
  H      -3.925409      1.126832      2.036359
  H      -8.239408     10.619441     -0.410431
  H      -6.647584     10.833930     -1.141971
  H      -7.968270     10.094022     -2.099374
  H      -6.539772     10.750632      1.270807
  H      -5.561796     10.368756      3.526083
  H      -4.764285      3.491593      3.628948
  H      -6.378623      6.525482      0.520486
  H     -14.037386     -0.796797      2.047944
  H     -12.851598      0.052890      1.028235
  H     -13.771527      0.964112      2.223531
  H     -11.773661      2.108912      1.716165
  H      -9.830563      3.619037      2.041324
  H      -6.492507      1.671116      7.172949
  H     -10.177369     -0.505807      4.771872
  N      -2.305935      1.954036      3.196881
  H      -2.313467      2.282834      2.207152
88
Coordinates from ORCA-job orca E -6669.241067203031
  N      -2.432848      0.014309      5.453148
  Mo     -3.161112      1.782680      4.713202
  N      -4.675188      1.890064      6.175019
  C      -4.152832      2.600051      7.350596
  C      -2.686311      2.252019      7.601581
  N      -1.802539      2.280755      6.365177
  C      -0.724983      1.241239      6.481513
  C      -1.353937     -0.144652      6.394049
  C      -1.185338      3.626815      6.113499
  C      -2.267506      4.614912      5.713120
  N      -3.248164      3.842043      4.980821
  H      -0.608593     -0.871218      6.039181
  H      -1.732664     -0.495035      7.366170
  H      -0.044453      1.400223      5.637157
  H      -0.172995      1.387957      7.419062
  H      -2.735507      5.095565      6.586496
  H      -1.853450      5.415223      5.081794
  H      -0.635068      3.940088      7.012551
  H      -0.473630      3.489445      5.291102
  H      -4.714015      2.302038      8.250721
  H      -4.293705      3.683000      7.229734
  H      -2.636027      1.233427      7.997272
  H      -2.241890      2.928229      8.345666
  C      -4.943839      3.852363     -0.892971
  C      -4.491721      2.915915      0.166573
  O      -3.316637      3.001496      0.599506
  C      -5.455466      1.874705      0.696292
  C      -6.778677      1.688436      0.232959
  C      -7.570465      0.683944      0.767823
  C      -7.068369     -0.121766      1.790690
  F      -7.844485     -1.071326      2.287557
  C      -5.774892      0.065921      2.316796
  C      -5.200933     -0.732140      3.429684
  O      -5.542161     -1.861462      3.746970
  N      -4.136851     -0.091416      4.123040
  C      -3.314408     -0.799611      4.907379
  C      -4.993552      1.045035      1.718609
  C      -7.511739     10.175519     -1.121282
  C      -7.104810      8.798396     -0.643550
  O      -7.249385      7.809531     -1.357784
  C      -6.513038      8.663950      0.732846
  C      -6.275719      9.765257      1.579500
  C      -5.721304      9.575005      2.845820
  C      -5.395601      8.284495      3.268153
  F      -4.890742      8.158078      4.516660
  C      -5.611551      7.154483      2.453894
  C      -5.294017      5.732865      2.806553
  O      -5.811617      4.811469      2.160560
  N      -4.364794      5.558625      3.834118
  C      -4.151449      4.300419      4.140371
  C      -6.182149      7.383679      1.191497
  C     -13.259816      0.013576      1.973791
  C     -12.224830     -0.269489      3.030595
  O     -12.311537     -1.289127      3.761354
  C     -11.077667      0.682809      3.196095
  C     -10.954970      1.852426      2.448952
  C      -9.871526      2.704940      2.645275
  C      -8.905618      2.379900      3.568598
  F      -7.881105      3.230692      3.746804
  C      -8.979713      1.212428      4.333250
  C      -7.972007      0.802936      5.354664
  O      -8.277624      0.029389      6.272925
  N      -6.667770      1.283985      5.139874
  C      -5.990553      1.591256      6.201158
  C     -10.095530      0.390308      4.135078
  H      -5.818791      4.429675     -0.534996
  H      -4.126358      4.552465     -1.149636
  H      -5.254700      3.273853     -1.786745
  H      -7.184513      2.320330     -0.556732
  H      -8.581245      0.518279      0.412784
  H      -3.374297     -1.886301      5.055808
  H      -3.951437      1.146645      2.026895
  H      -8.233317     10.638240     -0.424839
  H      -6.635115     10.841444     -1.164629
  H      -7.959302     10.096201     -2.122769
  H      -6.524728     10.779777      1.257611
  H      -5.540240     10.412900      3.524244
  H      -4.763240      3.503160      3.636541
  H      -6.367280      6.523999      0.541998
  H     -14.009599     -0.787456      1.977339
  H     -12.784172      0.081620      0.987954
  H     -13.765565      0.974781      2.160444
  H     -11.721244      2.131110      1.695534
  H      -9.772339      3.665482      2.063353
  H      -6.481734      1.649405      7.190128
  H     -10.179409     -0.532966      4.739164
  N      -2.308493      1.964369      3.206095
  H      -2.340419      2.299430      2.212584
88
Coordinates from ORCA-job orca E -6669.241135171977
  N      -2.425082      0.009516      5.453213
  Mo     -3.161075      1.781633      4.708621
  N      -4.675832      1.887365      6.171749
  C      -4.154354      2.600987      7.347432
  C      -2.684888      2.258391      7.599652
  N      -1.799660      2.286954      6.362426
  C      -0.716766      1.246465      6.480359
  C      -1.342698     -0.146953      6.394531
  C      -1.184315      3.638460      6.109675
  C      -2.271611      4.624330      5.708258
  N      -3.250548      3.845137      4.974297
  H      -0.595152     -0.873404      6.040450
  H      -1.720220     -0.499836      7.368084
  H      -0.036393      1.406279      5.634464
  H      -0.161093      1.399308      7.419165
  H      -2.741763      5.105547      6.580733
  H      -1.859125      5.427240      5.076380
  H      -0.633487      3.956453      7.008643
  H      -0.470991      3.501697      5.287194
  H      -4.714817      2.301593      8.248728
  H      -4.299543      3.685814      7.225028
  H      -2.630116      1.238286      7.997544
  H      -2.243319      2.938326      8.343897
  C      -5.014132      3.881991     -0.871012
  C      -4.479762      2.923795      0.186468
  O      -3.302024      3.002566      0.627631
  C      -5.400645      1.869366      0.701247
  C      -6.708861      1.682263      0.234992
  C      -7.513019      0.675951      0.773039
  C      -7.026235     -0.131852      1.799388
  F      -7.835967     -1.078378      2.309067
  C      -5.737332      0.053265      2.324883
  C      -5.185334     -0.744714      3.439000
  O      -5.528897     -1.863775      3.753135
  N      -4.126302     -0.107966      4.129022
  C      -3.311797     -0.808873      4.908197
  C      -4.944353      1.035088      1.723084
  C      -7.495297     10.164417     -1.107478
  C      -7.097526      8.788946     -0.636018
  O      -7.247257      7.802111     -1.348593
  C      -6.507559      8.651559      0.731474
  C      -6.266369      9.750095      1.574206
  C      -5.715210      9.560279      2.833701
  C      -5.396074      8.272679      3.253129
  F      -4.893522      8.147197      4.494248
  C      -5.615231      7.144865      2.441186
  C      -5.303603      5.726732      2.792550
  O      -5.811933      4.804140      2.148594
  N      -4.373220      5.554415      3.822841
  C      -4.156698      4.299623      4.133096
  C      -6.183105      7.373731      1.185404
  C     -13.293932      0.029558      1.966555
  C     -12.248654     -0.268359      3.023860
  O     -12.325593     -1.252934      3.725932
  C     -11.102053      0.685134      3.189268
  C     -10.985861      1.874712      2.430914
  C      -9.902240      2.733230      2.622411
  C      -8.921412      2.393160      3.559552
  F      -7.894949      3.250667      3.741086
  C      -8.987377      1.205086      4.335258
  C      -7.969548      0.787761      5.357401
  O      -8.263162     -0.000644      6.293387
  N      -6.668145      1.278909      5.135473
  C      -5.993505      1.586516      6.196474
  C     -10.104351      0.377320      4.141014
  H      -5.898492      4.386304     -0.495850
  H      -4.250285      4.612037     -1.129064
  H      -5.314906      3.359317     -1.776501
  H      -7.117707      2.318984     -0.551156
  H      -8.536482      0.513314      0.424506
  H      -3.372482     -1.894164      5.056412
  H      -3.918838      1.140080      2.040178
  H      -8.210972     10.626543     -0.413561
  H      -6.615816     10.827855     -1.153831
  H      -7.943643     10.087873     -2.099714
  H      -6.511047     10.761762      1.253642
  H      -5.531547     10.395527      3.508889
  H      -4.768958      3.495812      3.632542
  H      -6.373108      6.517099      0.538748
  H     -14.042553     -0.769823      1.970905
  H     -12.843440      0.097561      0.964181
  H     -13.782753      0.997273      2.163688
  H     -11.739492      2.118425      1.708347
  H      -9.792911      3.641216      2.077458
  H      -6.487155      1.645329      7.183865
  H     -10.196123     -0.513599      4.716808
  N      -2.305097      1.960272      3.204430
  H      -2.326229      2.289291      2.212927
88
Coordinates from ORCA-job orca E -6669.240778199449
  N      -2.421231      0.006278      5.446389
  Mo     -3.167970      1.773142      4.701983
  N      -4.679238      1.885598      6.169172
  C      -4.152685      2.602066      7.340197
  C      -2.682825      2.260040      7.587664
  N      -1.801305      2.286894      6.346102
  C      -0.712412      1.248898      6.463752
  C      -1.333129     -0.148101      6.383098
  C      -1.191135      3.641687      6.087667
  C      -2.285057      4.624188      5.689997
  N      -3.265236      3.839811      4.961428
  H      -0.583942     -0.873999      6.025239
  H      -1.704610     -0.502899      7.359550
  H      -0.033682      1.408274      5.615492
  H      -0.154198      1.409089      7.399188
  H      -2.753442      5.105901      6.564240
  H      -1.878540      5.427789      5.054294
  H      -0.638352      3.963712      6.983652
  H      -0.479687      3.504672      5.262839
  H      -4.709749      2.305800      8.244427
  H      -4.296657      3.686469      7.215652
  H      -2.625181      1.240139      7.986912
  H      -2.238909      2.940894      8.328606
  C      -4.854808      3.832098     -0.826982
  C      -4.453291      2.874034      0.235991
  O      -3.334667      2.915396      0.705227
  C      -5.414155      1.851101      0.719131
  C      -6.723110      1.686485      0.237306
  C      -7.543259      0.686741      0.759933
  C      -7.067198     -0.132484      1.781950
  F      -7.883177     -1.078552      2.274400
  C      -5.780110      0.038382      2.317564
  C      -5.217339     -0.766416      3.425142
  O      -5.548894     -1.885897      3.738072
  N      -4.137246     -0.114493      4.121187
  C      -3.307266     -0.811321      4.902068
  C      -4.980379      1.012485      1.735117
  C      -7.481464     10.217093     -1.114428
  C      -7.081369      8.835426     -0.653177
  O      -7.205667      7.858467     -1.389418
  C      -6.523737      8.672093      0.729853
  C      -6.313293      9.751598      1.603579
  C      -5.789238      9.537641      2.874223
  C      -5.465350      8.243844      3.273593
  F      -4.988050      8.094138      4.523397
  C      -5.654068      7.133284      2.430292
  C      -5.331673      5.711759      2.759692
  O      -5.820112      4.795049      2.083197
  N      -4.403117      5.540612      3.801873
  C      -4.176235      4.289114      4.120434
  C      -6.197011      7.387384      1.164512
  C     -13.253130      0.012968      2.029625
  C     -12.217528     -0.252046      3.069723
  O     -12.285592     -1.220180      3.773247
  C     -11.087832      0.705178      3.213079
  C     -10.986859      1.886005      2.445466
  C      -9.916354      2.736240      2.615682
  C      -8.928012      2.388611      3.554528
  F      -7.929023      3.287853      3.689604
  C      -8.990192      1.228144      4.324387
  C      -7.977807      0.829442      5.323880
  O      -8.269775      0.071379      6.235055
  N      -6.678266      1.292942      5.125212
  C      -6.001699      1.591284      6.194072
  C     -10.090879      0.404253      4.152674
  H      -5.731327      4.415140     -0.505654
  H      -4.032173      4.523443     -1.036190
  H      -5.132831      3.276228     -1.737480
  H      -7.114352      2.333261     -0.549701
  H      -8.567645      0.538077      0.398965
  H      -3.367622     -1.900359      5.051057
  H      -3.952733      1.103935      2.061126
  H      -8.222017     10.664272     -0.432034
  H      -6.606740     10.883960     -1.123682
  H      -7.903826     10.156105     -2.123484
  H      -6.559756     10.767444      1.297970
  H      -5.629111     10.357874      3.572061
  H      -4.789027      3.479787      3.624511
  H      -6.363136      6.547325      0.494303
  H     -13.993827     -0.793796      2.044650
  H     -12.770774      0.081047      1.042778
  H     -13.765758      0.961838      2.209652
  H     -11.756104      2.161567      1.709821
  H      -9.826210      3.656574      2.049788
  H      -6.496671      1.653800      7.178805
  H     -10.162491     -0.525745      4.765449
  N      -2.322328      1.952979      3.179101
  H      -2.347070      2.275285      2.184126
88
Coordinates from ORCA-job orca E -6669.241084297717
  N      -2.416496      0.011457      5.462764
  Mo     -3.156855      1.774506      4.714496
  N      -4.663089      1.890894      6.181103
  C      -4.134195      2.607870      7.349632
  C      -2.664324      2.266076      7.593598
  N      -1.787665      2.290054      6.352463
  C      -0.705526      1.254994      6.472261
  C      -1.328292     -0.137746      6.397806
  C      -1.176144      3.637873      6.087481
  C      -2.264600      4.619240      5.684415
  N      -3.248906      3.837062      4.963643
  H      -0.581981     -0.862144      6.041932
  H      -1.696924     -0.486951      7.374340
  H      -0.031325      1.410693      5.621948
  H      -0.147845      1.412548      7.406828
  H      -2.727769      5.104775      6.557411
  H      -1.857804      5.417282      5.044384
  H      -0.620649      3.960304      6.980781
  H      -0.469111      3.497329      5.261068
  H      -4.687782      2.311004      8.254757
  H      -4.279981      3.690810      7.224785
  H      -2.608611      1.248967      7.994219
  H      -2.218579      2.946975      8.333092
  C      -4.942577      3.805211     -0.862421
  C      -4.475663      2.861285      0.201739
  O      -3.335068      2.923482      0.633681
  C      -5.438434      1.832428      0.720615
  C      -6.759092      1.655268      0.258594
  C      -7.559561      0.653176      0.796685
  C      -7.063467     -0.154847      1.820319
  F      -7.851416     -1.104160      2.321319
  C      -5.769857      0.028627      2.343384
  C      -5.200368     -0.766302      3.459015
  O      -5.557866     -1.904081      3.781842
  N      -4.128552     -0.115713      4.145908
  C      -3.299665     -0.809500      4.928971
  C      -4.982260      1.001803      1.741065
  C      -7.540006     10.179755     -1.094122
  C      -7.123831      8.805465     -0.629604
  O      -7.262354      7.822950     -1.349741
  C      -6.533448      8.663938      0.743582
  C      -6.309623      9.756125      1.599808
  C      -5.758521      9.558811      2.863463
  C      -5.422048      8.270490      3.273650
  F      -4.921072      8.137281      4.519653
  C      -5.623270      7.148647      2.448160
  C      -5.295997      5.727978      2.786646
  O      -5.803626      4.813439      2.136158
  N      -4.367832      5.550521      3.810450
  C      -4.157631      4.292786      4.124995
  C      -6.191680      7.385035      1.189000
  C     -13.273059      0.062701      1.894096
  C     -12.232527     -0.259320      2.977674
  O     -12.326348     -1.278774      3.685230
  C     -11.080768      0.706312      3.168707
  C     -10.955210      1.885031      2.444509
  C      -9.875165      2.764687      2.652243
  C      -8.906262      2.435571      3.580587
  F      -7.883553      3.309876      3.779049
  C      -8.977924      1.247365      4.328844
  C      -7.955104      0.812464      5.361224
  O      -8.227159      0.039775      6.253549
  N      -6.667880      1.292139      5.154263
  C      -5.981619      1.596112      6.212002
  C     -10.101337      0.420400      4.102274
  H      -5.827322      4.380559     -0.488981
  H      -4.117531      4.499186     -1.114880
  H      -5.265181      3.242433     -1.777534
  H      -7.162349      2.290390     -0.529384
  H      -8.570708      0.494427      0.443112
  H      -3.357087     -1.893474      5.087828
  H      -3.943078      1.096774      2.049915
  H      -8.262806     10.628641     -0.397587
  H      -6.671510     10.852595     -1.129847
  H      -7.985510     10.104413     -2.093412
  H      -6.567241     10.769437      1.287245
  H      -5.588290     10.390097      3.549367
  H      -4.773996      3.496780      3.633213
  H      -6.368264      6.531929      0.531871
  H     -14.020698     -0.738932      1.872895
  H     -12.827026      0.151278      0.883185
  H     -13.755373      1.036887      2.111759
  H     -11.714763      2.151888      1.704710
  H      -9.774165      3.724781      2.093550
  H      -6.467323      1.654638      7.201505
  H     -10.192042     -0.501649      4.679669
  N      -2.319651      1.948455      3.193528
  H      -2.365862      2.273868      2.199440
88
Coordinates from ORCA-job orca E -6669.241197248743
  N      -2.416854      0.008208      5.452533
  Mo     -3.163886      1.770012      4.705337
  N      -4.676868      1.879468      6.164399
  C      -4.156898      2.595621      7.338799
  C      -2.687288      2.257876      7.590126
  N      -1.804425      2.288701      6.352769
  C      -0.717553      1.256918      6.470260
  C      -1.332986     -0.136014      6.389564
  C      -1.200011      3.640306      6.094951
  C      -2.291047      4.617933      5.691718
  N      -3.265303      3.834218      4.961183
  H      -0.583547     -0.858120      6.036328
  H      -1.705042     -0.484116      7.364821
  H      -0.040026      1.418817      5.624376
  H      -0.163707      1.413141      7.406354
  H      -2.763624      5.099018      6.562858
  H      -1.882918      5.419804      5.058491
  H      -0.652173      3.963299      6.992335
  H      -0.486790      3.505113      5.273521
  H      -4.716138      2.296955      8.240160
  H      -4.304785      3.677873      7.214496
  H      -2.629868      1.240623      7.989185
  H      -2.247373      2.939966      8.332254
  C      -4.978829      3.826349     -0.859894
  C      -4.469860      2.876463      0.191200
  O      -3.276677      2.955345      0.622282
  C      -5.403389      1.831321      0.713291
  C      -6.720536      1.648169      0.255738
  C      -7.526118      0.647674      0.797316
  C      -7.035368     -0.159872      1.817788
  F      -7.840433     -1.100102      2.330762
  C      -5.738552      0.020936      2.334299
  C      -5.175645     -0.774051      3.446356
  O      -5.507961     -1.901965      3.765666
  N      -4.120004     -0.124356      4.132988
  C      -3.295645     -0.819258      4.913240
  C      -4.946296      0.997387      1.730740
  C      -7.507311     10.180173     -1.102960
  C      -7.102356      8.801218     -0.638942
  O      -7.230508      7.820944     -1.365255
  C      -6.532107      8.654038      0.739539
  C      -6.320125      9.745581      1.602044
  C      -5.785156      9.546024      2.870043
  C      -5.452325      8.255755      3.277041
  F      -4.966042      8.119397      4.527075
  C      -5.642130      7.135355      2.446092
  C      -5.314005      5.716171      2.785214
  O      -5.809639      4.794505      2.129770
  N      -4.385387      5.544337      3.814728
  C      -4.173149      4.286305      4.121635
  C      -6.195500      7.373184      1.182700
  C     -13.244376      0.084100      1.976697
  C     -12.210908     -0.209912      3.018634
  O     -12.292342     -1.239590      3.744790
  C     -11.069579      0.741663      3.178639
  C     -10.950410      1.940015      2.422543
  C      -9.865154      2.773590      2.624531
  C      -8.896782      2.415792      3.554420
  F      -7.868401      3.234780      3.749625
  C      -8.974277      1.237776      4.313545
  C      -7.974582      0.812342      5.325653
  O      -8.295418      0.039596      6.239630
  N      -6.662545      1.289033      5.114476
  C      -5.993001      1.586269      6.183373
  C     -10.086630      0.423426      4.118823
  H      -5.857650      4.353047     -0.495185
  H      -4.211488      4.544412     -1.111453
  H      -5.274937      3.289014     -1.754586
  H      -7.129481      2.282936     -0.527299
  H      -8.550167      0.488584      0.453807
  H      -3.346407     -1.904831      5.063065
  H      -3.914431      1.095035      2.039707
  H      -8.242956     10.627551     -0.414237
  H      -6.632851     10.852972     -1.123929
  H      -7.936893     10.111712     -2.108021
  H      -6.574852     10.759962      1.291539
  H      -5.624724     10.375786      3.560842
  H      -4.787525      3.486533      3.622987
  H      -6.362439      6.521372      0.520631
  H     -13.991343     -0.706255      1.983537
  H     -12.763441      0.154822      1.000066
  H     -13.757109      1.040776      2.164732
  H     -11.702503      2.208865      1.692523
  H      -9.753423      3.707460      2.068030
  H      -6.489269      1.646124      7.167741
  H     -10.176404     -0.482082      4.700771
  N      -2.320503      1.946643      3.199063
  H      -2.365568      2.271552      2.206411
88
Coordinates from ORCA-job orca E -6669.240607929047
  N      -2.389919      0.007981      5.467391
  Mo     -3.146440      1.776501      4.723464
  N      -4.658822      1.881921      6.189251
  C      -4.133527      2.595935      7.362655
  C      -2.659588      2.259508      7.606903
  N      -1.776213      2.293005      6.364806
  C      -0.680659      1.259177      6.482319
  C      -1.297296     -0.143108      6.401178
  C      -1.169463      3.651611      6.107418
  C      -2.268233      4.631196      5.710084
  N      -3.247694      3.844149      4.981168
  H      -0.542387     -0.864199      6.038248
  H      -1.665443     -0.506124      7.377979
  H      -0.002495      1.422426      5.632566
  H      -0.121052      1.421447      7.418054
  H      -2.737966      5.110855      6.584850
  H      -1.863720      5.438008      5.074812
  H      -0.616032      3.974799      7.003376
  H      -0.457464      3.518158      5.281169
  H      -4.688243      2.291369      8.267369
  H      -4.283785      3.681743      7.243711
  H      -2.596828      1.236791      8.003192
  H      -2.218648      2.940965      8.350493
  C      -5.039778      3.799188     -0.909547
  C      -4.547584      2.862149      0.166124
  O      -3.388300      2.952209      0.606147
  C      -5.462276      1.816797      0.706506
  C      -6.774019      1.624825      0.261113
  C      -7.557760      0.617449      0.818009
  C      -7.047452     -0.184806      1.843229
  F      -7.832656     -1.137442      2.365807
  C      -5.758479      0.010175      2.351309
  C      -5.177177     -0.778326      3.464425
  O      -5.496098     -1.892112      3.790425
  N      -4.111108     -0.124597      4.148869
  C      -3.278231     -0.815714      4.929027
  C      -4.986000      0.992099      1.730830
  C      -7.513903     10.169271     -1.101941
  C      -7.101980      8.793336     -0.641540
  O      -7.219414      7.814900     -1.376089
  C      -6.540427      8.640242      0.738668
  C      -6.344401      9.726031      1.610252
  C      -5.820877      9.522995      2.881625
  C      -5.482903      8.234536      3.283991
  F      -5.007320      8.092921      4.534778
  C      -5.655177      7.119890      2.442622
  C      -5.317396      5.703301      2.776122
  O      -5.793426      4.774861      2.089958
  N      -4.389076      5.543718      3.823643
  C      -4.159547      4.294635      4.141480
  C      -6.197769      7.360954      1.175819
  C     -13.234993      0.147321      1.869324
  C     -12.213455     -0.179141      2.947750
  O     -12.313842     -1.155856      3.617033
  C     -11.063355      0.753569      3.163439
  C     -10.936389      1.948015      2.440156
  C      -9.856391      2.792149      2.660145
  C      -8.890415      2.439270      3.592913
  F      -7.883596      3.339130      3.773550
  C      -8.965710      1.242302      4.335951
  C      -7.953486      0.808877      5.343200
  O      -8.247242     -0.000319      6.254528
  N      -6.652255      1.295187      5.145594
  C      -5.979341      1.587299      6.212181
  C     -10.073706      0.416010      4.122806
  H      -5.917719      4.346229     -0.547936
  H      -4.241129      4.515740     -1.182100
  H      -5.350373      3.233733     -1.804447
  H      -7.199600      2.257271     -0.525482
  H      -8.584278      0.448370      0.484717
  H      -3.330725     -1.903704      5.085676
  H      -3.951707      1.101907      2.029960
  H      -8.255998     10.608291     -0.418610
  H      -6.645022     10.848108     -1.115745
  H      -7.937561     10.101230     -2.108113
  H      -6.603304     10.737473      1.302194
  H      -5.672588     10.347616      3.578083
  H      -4.774214      3.483945      3.648688
  H      -6.352933      6.514413      0.507851
  H     -13.996064     -0.658040      1.828504
  H     -12.770235      0.240290      0.870389
  H     -13.701162      1.110392      2.082090
  H     -11.696545      2.240546      1.696667
  H      -9.744786      3.714034      2.133606
  H      -6.475424      1.640665      7.200321
  H     -10.165370     -0.514766      4.692942
  N      -2.308293      1.958452      3.204523
  H      -2.329270      2.279910      2.206975
88
Coordinates from ORCA-job orca E -6669.243009581541
  N      -2.406858      0.000942      5.465155
  Mo     -3.158741      1.754744      4.706031
  N      -4.661235      1.887375      6.172900
  C      -4.126848      2.612905      7.335427
  C      -2.656685      2.275014      7.576273
  N      -1.785589      2.291358      6.332223
  C      -0.699748      1.261241      6.452786
  C      -1.314957     -0.133710      6.394047
  C      -1.181825      3.638335      6.054099
  C      -2.272735      4.611997      5.647729
  N      -3.258145      3.822448      4.936678
  H      -0.571881     -0.859976      6.042675
  H      -1.675497     -0.469442      7.375117
  H      -0.033314      1.411232      5.596712
  H      -0.136856      1.430477      7.382490
  H      -2.732444      5.104607      6.518906
  H      -1.870255      5.404087      5.000610
  H      -0.624860      3.971542      6.942774
  H      -0.477696      3.491339      5.227192
  H      -4.676431      2.322987      8.244221
  H      -4.272965      3.694170      7.203051
  H      -2.597904      1.262170      7.984114
  H      -2.210131      2.961845      8.310070
  C      -4.891894      3.772375     -0.790408
  C      -4.447069      2.809717      0.259043
  O      -3.317321      2.848214      0.699497
  C      -5.420098      1.787105      0.757647
  C      -6.743841      1.620344      0.294532
  C      -7.558508      0.621829      0.828666
  C      -7.068833     -0.190741      1.848759
  F      -7.868453     -1.135267      2.350143
  C      -5.771734     -0.015776      2.368727
  C      -5.199906     -0.805834      3.481170
  O      -5.551850     -1.933399      3.806947
  N      -4.122542     -0.143517      4.161762
  C      -3.285447     -0.828062      4.942024
  C      -4.974434      0.950967      1.769945
  C      -7.571715     10.198009     -1.066668
  C      -7.142861      8.822987     -0.620208
  O      -7.267618      7.847961     -1.354645
  C      -6.558819      8.667511      0.752000
  C      -6.353179      9.748367      1.624575
  C      -5.806439      9.538640      2.886392
  C      -5.456702      8.248317      3.278557
  F      -4.962345      8.102839      4.523723
  C      -5.641176      7.136467      2.436357
  C      -5.304763      5.714696      2.758414
  O      -5.806378      4.806204      2.105322
  N      -4.374252      5.531852      3.778619
  C      -4.173405      4.273895      4.100196
  C      -6.205015      7.386303      1.179339
  C     -13.235141      0.079750      1.898253
  C     -12.194720     -0.215179      2.948031
  O     -12.261142     -1.217084      3.634778
  C     -11.070585      0.767163      3.125711
  C     -10.955923      1.964164      2.401563
  C      -9.887895      2.843432      2.615684
  C      -8.907993      2.476413      3.567636
  F      -7.891566      3.349478      3.780803
  C      -8.979119      1.290578      4.302189
  C      -7.967696      0.853739      5.333071
  O      -8.257705      0.085428      6.230767
  N      -6.669221      1.307234      5.138396
  C      -5.984780      1.602968      6.201642
  C     -10.092644      0.473349      4.063588
  H      -5.772380      4.337777     -0.434098
  H      -4.082558      4.468412     -1.013644
  H      -5.189332      3.232663     -1.705476
  H      -7.141039      2.261335     -0.490355
  H      -8.575050      0.470311      0.474641
  H      -3.340611     -1.913267      5.103417
  H      -3.939598      1.037662      2.081229
  H      -8.305073     10.628020     -0.371881
  H      -6.713143     10.880408     -1.083493
  H      -8.007672     10.132392     -2.068253
  H      -6.621121     10.762368      1.326519
  H      -5.650476     10.360343      3.584225
  H      -4.794559      3.479857      3.613372
  H      -6.368330      6.543397      0.509725
  H     -13.960841     -0.723162      1.892666
  H     -12.763178      0.175397      0.907414
  H     -13.765040      1.032145      2.107743
  H     -11.707478      2.230445      1.669646
  H      -9.790474      3.793211      2.074424
  H      -6.472283      1.665991      7.186939
  H     -10.180400     -0.457741      4.637906
  N      -2.334355      1.918487      3.171598
  H      -2.409610      2.235940      2.175356
88
Coordinates from ORCA-job orca E -6669.242492432898
  N      -2.384964      0.008720      5.459516
  Mo     -3.160399      1.766140      4.711494
  N      -4.666423      1.865998      6.178109
  C      -4.141641      2.580459      7.350517
  C      -2.663516      2.255948      7.589506
  N      -1.787044      2.301172      6.345020
  C      -0.681174      1.282215      6.452851
  C      -1.280996     -0.122693      6.384377
  C      -1.198253      3.663662      6.080415
  C      -2.306269      4.631066      5.683508
  N      -3.277562      3.834361      4.958700
  H      -0.520883     -0.837023      6.021552
  H      -1.637184     -0.478776      7.369815
  H      -0.013527      1.454680      5.597393
  H      -0.116018      1.447505      7.381716
  H      -2.780727      5.108091      6.556806
  H      -1.909581      5.440302      5.046104
  H      -0.646625      3.993710      6.973525
  H      -0.486726      3.536737      5.253615
  H      -4.693141      2.272867      8.255866
  H      -4.300625      3.663859      7.230084
  H      -2.591735      1.235639      7.986522
  H      -2.225284      2.941370      8.329996
  C      -5.012284      3.757148     -0.855872
  C      -4.507529      2.817316      0.200033
  O      -3.341258      2.893424      0.621563
  C      -5.435699      1.780137      0.735401
  C      -6.753345      1.593974      0.290433
  C      -7.546133      0.591075      0.843635
  C      -7.038400     -0.215887      1.860404
  F      -7.837543     -1.160799      2.387529
  C      -5.734821     -0.030317      2.361024
  C      -5.152941     -0.819841      3.473813
  O      -5.461225     -1.962089      3.792511
  N      -4.105585     -0.152653      4.154744
  C      -3.263901     -0.831509      4.935792
  C      -4.962872      0.948933      1.749905
  C      -7.500694     10.189284     -1.118342
  C      -7.107453      8.804620     -0.648934
  O      -7.220799      7.827905     -1.384375
  C      -6.562389      8.647250      0.741756
  C      -6.372263      9.731262      1.618649
  C      -5.857645      9.523458      2.895939
  C      -5.521158      8.232357      3.296772
  F      -5.052955      8.086881      4.554008
  C      -5.687587      7.119306      2.451044
  C      -5.346969      5.701420      2.781921
  O      -5.825130      4.779603      2.105627
  N      -4.417649      5.536506      3.814099
  C      -4.192127      4.280016      4.122994
  C      -6.223810      7.364661      1.179470
  C     -13.212583      0.206280      1.860863
  C     -12.194305     -0.136927      2.927280
  O     -12.295692     -1.194957      3.611998
  C     -11.042754      0.788401      3.159832
  C     -10.915679      2.003269      2.461806
  C      -9.830914      2.833103      2.708550
  C      -8.880771      2.478066      3.611406
  F      -7.865455      3.325557      3.831331
  C      -8.955340      1.254526      4.329757
  C      -7.955686      0.800554      5.321864
  O      -8.260385      0.006415      6.193010
  N      -6.653874      1.289974      5.125499
  C      -5.984071      1.574776      6.198986
  C     -10.062539      0.431360      4.099314
  H      -5.898002      4.306823     -0.476960
  H      -4.217063      4.467127     -1.120432
  H      -5.330423      3.198088     -1.759926
  H      -7.174089      2.227022     -0.490784
  H      -8.575980      0.430405      0.512504
  H      -3.292073     -1.915277      5.091083
  H      -3.927728      1.046817      2.047204
  H      -8.255145     10.635773     -0.442760
  H      -6.623366     10.860598     -1.117098
  H      -7.906723     10.127313     -2.137012
  H      -6.629706     10.746739      1.312838
  H      -5.715481     10.347725      3.597855
  H      -4.805574      3.475009      3.629943
  H      -6.372681      6.517985      0.506266
  H     -13.969500     -0.595963      1.809356
  H     -12.727822      0.321602      0.878124
  H     -13.705506      1.163073      2.088328
  H     -11.668520      2.308095      1.727050
  H      -9.719190      3.796841      2.182348
  H      -6.478159      1.624663      7.185928
  H     -10.153953     -0.500095      4.643740
  N      -2.335126      1.947286      3.190969
  H      -2.386612      2.266017      2.194831
88
Coordinates from ORCA-job orca E -6669.244422358396
  N      -2.372319      0.002467      5.471027
  Mo     -3.143386      1.762960      4.725836
  N      -4.647652      1.870892      6.192124
  C      -4.120487      2.582817      7.365536
  C      -2.645377      2.251646      7.602671
  N      -1.769083      2.289693      6.357953
  C      -0.670258      1.264918      6.471795
  C      -1.277065     -0.137322      6.398376
  C      -1.171992      3.647765      6.096865
  C      -2.272535      4.620428      5.699088
  N      -3.248600      3.830530      4.974465
  H      -0.523013     -0.854211      6.035803
  H      -1.637218     -0.495205      7.376098
  H       0.001230      1.429330      5.619701
  H      -0.109582      1.430198      7.404060
  H      -2.742809      5.099799      6.573276
  H      -1.871658      5.426396      5.063265
  H      -0.619640      3.974637      6.990447
  H      -0.461744      3.516745      5.269920
  H      -4.671095      2.275291      8.270930
  H      -4.274368      3.667264      7.249490
  H      -2.579354      1.230456      7.997146
  H      -2.204530      2.933592      8.344669
  C      -5.063718      3.742999     -0.901628
  C      -4.550935      2.817665      0.169381
  O      -3.368793      2.918839      0.584061
  C      -5.465544      1.777114      0.733559
  C      -6.795052      1.593245      0.318535
  C      -7.575206      0.596060      0.890819
  C      -7.052949     -0.204036      1.905553
  F      -7.825474     -1.146152      2.439850
  C      -5.753209     -0.017003      2.388964
  C      -5.164253     -0.803790      3.495610
  O      -5.493295     -1.930180      3.822797
  N      -4.099943     -0.144050      4.172002
  C      -3.259651     -0.829263      4.946715
  C      -4.975732      0.952272      1.748861
  C      -7.593392     10.120098     -1.074862
  C      -7.163993      8.751014     -0.619004
  O      -7.280433      7.772578     -1.347835
  C      -6.586585      8.609106      0.754159
  C      -6.399351      9.697788      1.622328
  C      -5.863619      9.502993      2.888629
  C      -5.505492      8.220575      3.289431
  F      -5.020336      8.086473      4.537174
  C      -5.668761      7.103814      2.451615
  C      -5.316475      5.691049      2.784453
  O      -5.793073      4.761401      2.110393
  N      -4.385421      5.532383      3.822472
  C      -4.162589      4.279957      4.137500
  C      -6.222606      7.336122      1.189547
  C     -13.167667      0.228213      1.789380
  C     -12.160367     -0.112633      2.869157
  O     -12.265284     -1.136036      3.538536
  C     -11.022988      0.842641      3.101348
  C     -10.889884      2.061226      2.400629
  C      -9.817691      2.908951      2.650957
  C      -8.858559      2.506853      3.604572
  F      -7.845379      3.354867      3.850004
  C      -8.949671      1.315242      4.302754
  C      -7.950282      0.848967      5.319704
  O      -8.264916      0.038312      6.212944
  N      -6.642516      1.318835      5.138547
  C      -5.966977      1.588824      6.209563
  C     -10.059205      0.507171      4.047465
  H      -5.941384      4.270589     -0.541005
  H      -4.288782      4.469512     -1.184484
  H      -5.366571      3.174555     -1.784305
  H      -7.231896      2.224733     -0.456880
  H      -8.605358      0.434970      0.578295
  H      -3.307880     -1.915680      5.107469
  H      -3.925764      1.049496      2.022846
  H      -8.331786     10.550280     -0.385865
  H      -6.732145     10.807112     -1.096348
  H      -8.025770     10.046779     -2.075356
  H      -6.675049     10.705297      1.316738
  H      -5.722405     10.330190      3.583167
  H      -4.780151      3.476009      3.649204
  H      -6.371411      6.486149      0.524454
  H     -13.918952     -0.572031      1.725620
  H     -12.684428      0.344182      0.809415
  H     -13.655037      1.179782      2.013337
  H     -11.632598      2.357134      1.661273
  H      -9.700932      3.861504      2.136186
  H      -6.460319      1.632352      7.197949
  H     -10.158415     -0.433210      4.594691
  N      -2.317608      1.935218      3.204786
  H      -2.356490      2.247004      2.205072
88
Coordinates from ORCA-job orca E -6669.247221088736
  N      -2.329892     -0.000290      5.468525
  Mo     -3.138414      1.741002      4.723861
  N      -4.630105      1.835404      6.203276
  C      -4.099422      2.552279      7.372136
  C      -2.617103      2.245386      7.593022
  N      -1.756523      2.299696      6.338710
  C      -0.637927      1.297798      6.441385
  C      -1.219176     -0.114604      6.381579
  C      -1.188899      3.667607      6.068587
  C      -2.311008      4.617060      5.678726
  N      -3.277738      3.807778      4.962830
  H      -0.457107     -0.818180      6.011655
  H      -1.558541     -0.473642      7.366789
  H       0.018294      1.472322      5.579479
  H      -0.068774      1.476988      7.365530
  H      -2.782611      5.088753      6.556018
  H      -1.931403      5.428760      5.038001
  H      -0.634554      4.007240      6.956456
  H      -0.484634      3.548126      5.235493
  H      -4.634923      2.235836      8.282418
  H      -4.270649      3.633472      7.259138
  H      -2.528902      1.226578      7.986497
  H      -2.179516      2.934592      8.330246
  C      -4.964227      3.631317     -0.874824
  C      -4.476551      2.705991      0.201272
  O      -3.315955      2.786980      0.631477
  C      -5.411193      1.680862      0.751542
  C      -6.740574      1.506480      0.329259
  C      -7.535194      0.516925      0.903261
  C      -7.021639     -0.282869      1.923543
  F      -7.814230     -1.211412      2.470555
  C      -5.715661     -0.100360      2.407720
  C      -5.125923     -0.869100      3.526269
  O      -5.438229     -1.997788      3.864346
  N      -4.067569     -0.185970      4.191116
  C      -3.205718     -0.851039      4.960535
  C      -4.934532      0.859127      1.769709
  C      -7.689799     10.061019     -1.085011
  C      -7.244942      8.693164     -0.626899
  O      -7.330187      7.715972     -1.364870
  C      -6.690355      8.550366      0.758527
  C      -6.539036      9.635792      1.638960
  C      -6.017563      9.440632      2.913402
  C      -5.637304      8.160904      3.309898
  F      -5.165730      8.026132      4.564842
  C      -5.766107      7.046707      2.460594
  C      -5.383965      5.638770      2.787159
  O      -5.839834      4.706262      2.112654
  N      -4.450426      5.492311      3.819913
  C      -4.205487      4.242203      4.132357
  C      -6.307368      7.279467      1.190719
  C     -13.127127      0.499105      1.693620
  C     -12.115871      0.066616      2.732262
  O     -12.209190     -1.018829      3.298882
  C     -10.986398      0.998533      3.058089
  C     -10.857442      2.270117      2.467761
  C      -9.794828      3.102087      2.801394
  C      -8.846244      2.649107      3.717620
  F      -7.846623      3.496363      4.038587
  C      -8.927805      1.385401      4.319989
  C      -7.936299      0.851226      5.304238
  O      -8.252703     -0.004829      6.131533
  N      -6.627711      1.315438      5.143537
  C      -5.951528      1.555116      6.222570
  C     -10.025693      0.585270      3.984307
  H      -5.846112      4.184635     -0.519659
  H      -4.171749      4.337145     -1.145955
  H      -5.269894      3.059813     -1.765241
  H      -7.166428      2.140180     -0.449102
  H      -8.568032      0.364752      0.588918
  H      -3.228588     -1.936610      5.126677
  H      -3.892276      0.952946      2.052395
  H      -8.452467     10.475175     -0.407720
  H      -6.841317     10.763432     -1.083232
  H      -8.098793      9.987552     -2.098093
  H      -6.830146     10.641885      1.336271
  H      -5.903243     10.265690      3.616972
  H      -4.816551      3.430535      3.650423
  H      -6.425192      6.432531      0.514432
  H     -13.867534     -0.297855      1.557905
  H     -12.640534      0.712806      0.729547
  H     -13.632476      1.424283      2.009128
  H     -11.597098      2.622995      1.747454
  H      -9.684958      4.097497      2.370449
  H      -6.445640      1.591330      7.210138
  H     -10.121443     -0.396715      4.448999
  N      -2.334172      1.921024      3.189309
  H      -2.395998      2.228955      2.190659
88
Coordinates from ORCA-job orca E -6669.246668749510
  N      -2.223016     -0.009493      5.517647
  Mo     -3.076105      1.694550      4.743580
  N      -4.567481      1.790557      6.218686
  C      -4.050122      2.529734      7.379362
  C      -2.561150      2.258311      7.600863
  N      -1.705181      2.317419      6.343486
  C      -0.560820      1.348709      6.457297
  C      -1.103922     -0.078007      6.424382
  C      -1.175059      3.694441      6.051057
  C      -2.320744      4.606516      5.646061
  N      -3.264465      3.761954      4.940675
  H      -0.326800     -0.766687      6.060964
  H      -1.426243     -0.427696      7.417928
  H       0.085153      1.526389      5.588933
  H       0.007263      1.558274      7.375330
  H      -2.805291      5.078572      6.515797
  H      -1.962083      5.417665      4.993771
  H      -0.630100      4.062983      6.933207
  H      -0.468476      3.580174      5.219812
  H      -4.578079      2.213290      8.293399
  H      -4.243270      3.605294      7.254350
  H      -2.448746      1.247928      8.006845
  H      -2.138018      2.966468      8.328366
  C      -5.271394      3.444528     -0.818426
  C      -4.687556      2.557769      0.236359
  O      -3.509871      2.668231      0.576159
  C      -5.563216      1.529095      0.869851
  C      -6.923752      1.339933      0.564467
  C      -7.659074      0.346809      1.210109
  C      -7.049831     -0.441001      2.184900
  F      -7.783786     -1.379329      2.800433
  C      -5.706620     -0.239496      2.555701
  C      -5.021568     -0.989318      3.633529
  O      -5.301271     -2.116208      4.009454
  N      -3.965397     -0.264342      4.261274
  C      -3.077173     -0.892111      5.033020
  C      -4.993623      0.721601      1.849197
  C      -7.903939      9.956753     -1.017366
  C      -7.380595      8.600892     -0.602454
  O      -7.382801      7.651895     -1.382075
  C      -6.851846      8.434734      0.791681
  C      -6.797354      9.488150      1.721103
  C      -6.294010      9.272075      3.000493
  C      -5.834452      8.004100      3.352333
  F      -5.385007      7.845264      4.613744
  C      -5.864875      6.921720      2.453442
  C      -5.393009      5.529711      2.734337
  O      -5.772769      4.597633      2.021342
  N      -4.475486      5.406831      3.780629
  C      -4.201014      4.164186      4.102776
  C      -6.391898      7.173923      1.180218
  C     -12.888054      1.022900      1.340365
  C     -11.931022      0.458966      2.362567
  O     -12.079288     -0.674319      2.816662
  C     -10.787901      1.314322      2.819001
  C     -10.583637      2.621961      2.345150
  C      -9.512877      3.383935      2.802674
  C      -8.634385      2.830112      3.721294
  F      -7.632920      3.615094      4.176198
  C      -8.785839      1.516339      4.209472
  C      -7.857140      0.872415      5.187668
  O      -8.236644      0.000865      5.954480
  N      -6.533594      1.305228      5.105199
  C      -5.890902      1.516924      6.211332
  C      -9.891909      0.787936      3.753971
  H      -6.140166      3.992750     -0.409559
  H      -4.515248      4.154820     -1.159176
  H      -5.630690      2.843770     -1.672449
  H      -7.418949      1.964854     -0.177728
  H      -8.713243      0.181495      0.985202
  H      -3.070418     -1.973616      5.222553
  H      -3.934488      0.826094      2.042823
  H      -8.711562     10.290521     -0.346312
  H      -7.105848     10.712712     -0.960461
  H      -8.278796      9.900844     -2.045717
  H      -7.150583     10.485152      1.453438
  H      -6.254691     10.071169      3.741742
  H      -4.794087      3.336155      3.630332
  H      -6.435480      6.352395      0.465355
  H     -13.644521      0.270471      1.106900
  H     -12.354178      1.310565      0.421275
  H     -13.384046      1.931589      1.726698
  H     -11.270805      3.059856      1.621505
  H      -9.349457      4.410613      2.465289
  H      -6.411385      1.552150      7.184204
  H     -10.044606     -0.223975      4.128356
  N      -2.283007      1.861769      3.200664
  H      -2.362620      2.147306      2.194442
88
Coordinates from ORCA-job orca E -6669.248327150314
  N      -2.253083     -0.015182      5.494587
  Mo     -3.113996      1.697003      4.746719
  N      -4.577438      1.791765      6.250166
  C      -4.034599      2.518430      7.406642
  C      -2.543203      2.238817      7.597385
  N      -1.710790      2.304388      6.324709
  C      -0.567341      1.330605      6.410632
  C      -1.116699     -0.094642      6.378812
  C      -1.181869      3.682764      6.032937
  C      -2.332064      4.601284      5.654362
  N      -3.289992      3.764319      4.958731
  H      -0.349133     -0.783512      5.994595
  H      -1.420644     -0.451382      7.375699
  H       0.062699      1.511339      5.531083
  H       0.019272      1.532625      7.318982
  H      -2.800453      5.068257      6.535808
  H      -1.982064      5.416673      5.002188
  H      -0.620435      4.043596      6.907935
  H      -0.490002      3.572586      5.188489
  H      -4.546259      2.195542      8.328172
  H      -4.225858      3.596299      7.295211
  H      -2.427383      1.224224      7.992932
  H      -2.103390      2.939361      8.322408
  C      -5.045334      3.410401     -0.894733
  C      -4.523690      2.522471      0.194505
  O      -3.354919      2.615097      0.583249
  C      -5.444821      1.517132      0.804120
  C      -6.795337      1.354150      0.447296
  C      -7.577983      0.387922      1.076924
  C      -7.028552     -0.398087      2.088420
  F      -7.810591     -1.300779      2.694842
  C      -5.698265     -0.225291      2.508231
  C      -5.073723     -0.968236      3.626717
  O      -5.366084     -2.092796      3.994004
  N      -4.015328     -0.254949      4.262444
  C      -3.121801     -0.891035      5.020978
  C      -4.933090      0.708063      1.815534
  C      -7.936960      9.910451     -1.028603
  C      -7.424210      8.558175     -0.593051
  O      -7.434982      7.597195     -1.357216
  C      -6.895607      8.410597      0.802268
  C      -6.837830      9.477113      1.716225
  C      -6.335865      9.278306      2.998395
  C      -5.880567      8.014593      3.368335
  F      -5.432750      7.871901      4.631665
  C      -5.914059      6.920161      2.485053
  C      -5.448067      5.530702      2.783817
  O      -5.836831      4.591321      2.082131
  N      -4.516735      5.415886      3.820409
  C      -4.239178      4.173711      4.138739
  C      -6.439358      7.154665      1.208566
  C     -12.905438      1.025418      1.389522
  C     -11.949730      0.470923      2.419682
  O     -12.090860     -0.658747      2.873612
  C     -10.815612      1.336650      2.880509
  C     -10.610079      2.638589      2.391202
  C      -9.548109      3.410149      2.851954
  C      -8.679955      2.868627      3.791216
  F      -7.690572      3.664521      4.253262
  C      -8.831362      1.563196      4.291345
  C      -7.902982      0.933194      5.280598
  O      -8.280877      0.058309      6.052873
  N      -6.573321      1.345227      5.171096
  C      -5.905608      1.541633      6.263929
  C      -9.928225      0.824839      3.833059
  H      -5.910877      3.984176     -0.526998
  H      -4.259004      4.098544     -1.218208
  H      -5.387578      2.808407     -1.751990
  H      -7.247267      1.981049     -0.321332
  H      -8.626102      0.245364      0.814121
  H      -3.115575     -1.974471      5.202283
  H      -3.878589      0.791971      2.051449
  H      -8.741505     10.260139     -0.363606
  H      -7.133164     10.661454     -0.983601
  H      -8.312170      9.841016     -2.055080
  H      -7.187900     10.470519      1.434110
  H      -6.294573     10.087606      3.727851
  H      -4.842590      3.348723      3.673848
  H      -6.483495      6.322677      0.505136
  H     -13.656185      0.265960      1.151547
  H     -12.371056      1.315804      0.471845
  H     -13.406389      1.929500      1.771308
  H     -11.289439      3.064461      1.652522
  H      -9.383855      4.430545      2.504656
  H      -6.405755      1.572096      7.247973
  H     -10.080460     -0.184380      4.217088
  N      -2.351189      1.868691      3.189824
  H      -2.446237      2.157137      2.186386
88
Coordinates from ORCA-job orca E -6669.248070014616
  N      -2.240548     -0.048377      5.527711
  Mo     -3.114565      1.645621      4.754120
  N      -4.544854      1.794508      6.280874
  C      -3.973435      2.536490      7.413134
  C      -2.479178      2.252519      7.575910
  N      -1.674122      2.288986      6.283689
  C      -0.529369      1.315550      6.366404
  C      -1.081059     -0.109440      6.383103
  C      -1.149649      3.659776      5.948917
  C      -2.305657      4.571081      5.570068
  N      -3.276718      3.719757      4.910620
  H      -0.324635     -0.808616      5.994266
  H      -1.358673     -0.442765      7.395806
  H       0.079026      1.473540      5.467323
  H       0.079667      1.539266      7.254852
  H      -2.757569      5.058942      6.448945
  H      -1.966012      5.371183      4.893536
  H      -0.570943      4.040693      6.803925
  H      -0.474103      3.528225      5.094097
  H      -4.467462      2.232236      8.350974
  H      -4.161043      3.613878      7.287893
  H      -2.358969      1.245007      7.988633
  H      -2.020335      2.964937      8.277158
  C      -5.065515      3.315202     -0.796111
  C      -4.554822      2.450018      0.318234
  O      -3.405571      2.591191      0.757961
  C      -5.467731      1.425212      0.907820
  C      -6.813714      1.252823      0.540263
  C      -7.596672      0.286553      1.168912
  C      -7.052517     -0.490073      2.190672
  F      -7.837714     -1.383495      2.805746
  C      -5.724775     -0.316035      2.612857
  C      -5.105821     -1.037707      3.747336
  O      -5.390263     -2.156550      4.133250
  N      -4.034454     -0.315211      4.347984
  C      -3.124329     -0.934072      5.100810
  C      -4.956858      0.615837      1.920166
  C      -8.196794      9.813229     -0.926495
  C      -7.631532      8.469839     -0.531907
  O      -7.622261      7.527583     -1.318831
  C      -7.074877      8.308200      0.850317
  C      -7.052144      9.350702      1.792980
  C      -6.524637      9.139497      3.062494
  C      -6.007595      7.888282      3.389873
  F      -5.536694      7.729337      4.642628
  C      -6.001610      6.819311      2.476086
  C      -5.468190      5.445654      2.733227
  O      -5.832072      4.503472      2.019345
  N      -4.526850      5.348536      3.763622
  C      -4.240865      4.113028      4.099908
  C      -6.555454      7.063983      1.214191
  C     -12.680123      1.331612      1.130939
  C     -11.780859      0.731948      2.187068
  O     -11.952087     -0.410372      2.591994
  C     -10.663318      1.569701      2.732986
  C     -10.405003      2.874169      2.276903
  C      -9.359920      3.618476      2.814356
  C      -8.562771      3.046229      3.797468
  F      -7.596171      3.818579      4.341392
  C      -8.764934      1.735789      4.262871
  C      -7.895072      1.070336      5.282788
  O      -8.328960      0.204930      6.040476
  N      -6.545806      1.422776      5.197866
  C      -5.881810      1.598757      6.295612
  C      -9.844925      1.025521      3.730415
  H      -5.958210      3.862919     -0.462613
  H      -4.289857      4.026150     -1.099143
  H      -5.360379      2.698197     -1.658546
  H      -7.265145      1.879963     -0.229028
  H      -8.643733      0.142116      0.903655
  H      -3.115277     -2.012541      5.310927
  H      -3.903353      0.704172      2.164483
  H      -9.003342     10.117901     -0.242618
  H      -7.418967     10.591001     -0.873791
  H      -8.583915      9.755473     -1.948840
  H      -7.451267     10.333974      1.543645
  H      -6.510754      9.928845      3.814318
  H      -4.855984      3.279762      3.666965
  H      -6.571886      6.251207      0.488010
  H     -13.426530      0.588404      0.829868
  H     -12.099986      1.647604      0.250488
  H     -13.188453      2.226543      1.519128
  H     -11.028690      3.322981      1.502838
  H      -9.156192      4.639005      2.494441
  H      -6.384694      1.653017      7.277505
  H     -10.037278      0.012626      4.086438
  N      -2.392364      1.767009      3.174119
  H      -2.510377      2.021395      2.162763
88
Coordinates from ORCA-job orca E -6669.249312411919
  N      -2.193944     -0.057448      5.547707
  Mo     -3.102573      1.619932      4.779959
  N      -4.515824      1.766329      6.317695
  C      -3.940052      2.509071      7.446646
  C      -2.440543      2.241577      7.590483
  N      -1.651856      2.289476      6.288023
  C      -0.491193      1.333814      6.356722
  C      -1.020064     -0.099513      6.384150
  C      -1.152324      3.667607      5.944282
  C      -2.325191      4.560662      5.573699
  N      -3.289775      3.693132      4.926037
  H      -0.259653     -0.787341      5.983428
  H      -1.275642     -0.435655      7.401443
  H       0.100874      1.499160      5.448288
  H       0.127250      1.569078      7.235593
  H      -2.775456      5.044111      6.455848
  H      -2.003586      5.364001      4.892303
  H      -0.570663      4.059980      6.792024
  H      -0.483634      3.543387      5.083023
  H      -4.420685      2.196018      8.388762
  H      -4.140239      3.585118      7.328340
  H      -2.303201      1.235147      8.000275
  H      -1.981656      2.958348      8.287124
  C      -5.078276      3.112488     -0.876256
  C      -4.544058      2.261991      0.238168
  O      -3.368002      2.370069      0.611676
  C      -5.462775      1.287203      0.900416
  C      -6.829160      1.152325      0.596712
  C      -7.615964      0.231444      1.284844
  C      -7.055242     -0.530274      2.308480
  F      -7.843337     -1.373690      2.986295
  C      -5.707000     -0.388220      2.672176
  C      -5.069223     -1.094353      3.807514
  O      -5.354983     -2.203553      4.219929
  N      -4.000775     -0.355243      4.395293
  C      -3.071457     -0.957694      5.138501
  C      -4.936001      0.490756      1.915742
  C      -8.448921      9.632682     -0.867267
  C      -7.836094      8.308532     -0.479462
  O      -7.798637      7.369520     -1.269216
  C      -7.267681      8.162261      0.899467
  C      -7.290155      9.197601      1.849928
  C      -6.751966      9.000755      3.117260
  C      -6.178054      7.771896      3.433773
  F      -5.698964      7.622989      4.684716
  C      -6.123360      6.712447      2.511189
  C      -5.529263      5.362185      2.758172
  O      -5.854020      4.410939      2.038065
  N      -4.581956      5.296493      3.784041
  C      -4.269514      4.068769      4.125348
  C      -6.690366      6.940481      1.252372
  C     -12.468944      1.776673      0.926459
  C     -11.610780      1.085012      1.959841
  O     -11.802853     -0.085505      2.263849
  C     -10.506740      1.865646      2.609198
  C     -10.202807      3.189315      2.247581
  C      -9.170291      3.877244      2.878567
  C      -8.432580      3.226823      3.860580
  F      -7.484746      3.942933      4.506374
  C      -8.678046      1.893212      4.228647
  C      -7.859229      1.143469      5.234702
  O      -8.342577      0.267787      5.948029
  N      -6.499266      1.458337      5.198576
  C      -5.856151      1.598815      6.313787
  C      -9.746537      1.242989      3.606506
  H      -5.923869      3.712748     -0.512504
  H      -4.290342      3.776381     -1.246652
  H      -5.449694      2.481997     -1.697804
  H      -7.291452      1.771616     -0.172328
  H      -8.676927      0.114359      1.067324
  H      -3.043184     -2.034950      5.353325
  H      -3.869527      0.542047      2.110022
  H      -9.263815      9.906211     -0.180470
  H      -7.698953     10.437062     -0.813282
  H      -8.836328      9.565098     -1.888768
  H      -7.734502     10.163290      1.608762
  H      -6.773619      9.783777      3.875391
  H      -4.877730      3.225158      3.706075
  H      -6.670351      6.133275      0.519611
  H     -13.211082      1.068371      0.543443
  H     -11.856206      2.155224      0.094328
  H     -12.983477      2.643115      1.367653
  H     -10.779046      3.697076      1.474033
  H      -8.932276      4.911420      2.632495
  H      -6.373993      1.647447      7.287925
  H      -9.974724      0.213829      3.887931
  N      -2.406831      1.741637      3.188885
  H      -2.546617      1.987790      2.175625
88
Coordinates from ORCA-job orca E -6669.248997580463
  N      -2.190772     -0.051323      5.558529
  Mo     -3.064242      1.640327      4.782341
  N      -4.533458      1.773781      6.273437
  C      -3.994486      2.499011      7.431300
  C      -2.502550      2.224054      7.621423
  N      -1.667119      2.284049      6.351494
  C      -0.514101      1.322246      6.450859
  C      -1.048339     -0.109701      6.437085
  C      -1.149055      3.663927      6.043745
  C      -2.301923      4.568395      5.639468
  N      -3.244924      3.713442      4.946062
  H      -0.275758     -0.793761      6.054149
  H      -1.342185     -0.460205      7.438980
  H       0.112280      1.497904      5.567856
  H       0.071689      1.542473      7.355430
  H      -2.782939      5.043833      6.509606
  H      -1.949799      5.377771      4.980848
  H      -0.597733      4.042759      6.917451
  H      -0.449284      3.546012      5.206826
  H      -4.504325      2.171171      8.352862
  H      -4.190803      3.576870      7.323756
  H      -2.384082      1.211660      8.022102
  H      -2.065583      2.929257      8.343353
  C      -4.954731      3.154518     -0.979672
  C      -4.426976      2.299615      0.132812
  O      -3.253383      2.413318      0.514130
  C      -5.346595      1.318263      0.780918
  C      -6.707124      1.178312      0.452332
  C      -7.503633      0.259709      1.129609
  C      -6.962716     -0.485431      2.175621
  F      -7.765198     -1.315355      2.851477
  C      -5.619692     -0.345511      2.559546
  C      -5.003023     -1.060603      3.703824
  O      -5.311935     -2.167910      4.107951
  N      -3.956113     -0.326962      4.337960
  C      -3.054654     -0.942490      5.104010
  C      -4.833693      0.523033      1.805442
  C      -8.393130      9.625826     -0.902705
  C      -7.756977      8.312255     -0.516519
  O      -7.700116      7.376105     -1.308357
  C      -7.193258      8.171591      0.865131
  C      -7.249955      9.199143      1.822665
  C      -6.719768      9.006376      3.094130
  C      -6.119879      7.789348      3.407967
  F      -5.652336      7.641951      4.663405
  C      -6.029069      6.738857      2.477884
  C      -5.415730      5.397451      2.724598
  O      -5.701624      4.451247      1.981092
  N      -4.497667      5.330987      3.774456
  C      -4.194912      4.100153      4.116320
  C      -6.588151      6.962206      1.214626
  C     -12.767717      1.690192      1.203496
  C     -11.824294      1.010595      2.167788
  O     -11.970151     -0.169564      2.476353
  C     -10.690702      1.809215      2.739420
  C     -10.420107      3.131255      2.345014
  C      -9.349740      3.830547      2.896334
  C      -8.545357      3.191239      3.834107
  F      -7.549499      3.905960      4.401823
  C      -8.759916      1.864767      4.233477
  C      -7.879151      1.134894      5.201957
  O      -8.321500      0.273317      5.954961
  N      -6.523869      1.474147      5.125180
  C      -5.877282      1.620438      6.237696
  C      -9.862470      1.202267      3.689281
  H      -5.798713      3.758147     -0.613815
  H      -4.163962      3.816705     -1.345523
  H      -5.327681      2.528354     -1.803930
  H      -7.155798      1.790038     -0.330225
  H      -8.558016      0.133435      0.888466
  H      -3.036929     -2.022536      5.304337
  H      -3.769361      0.562997      2.008907
  H      -9.217185      9.880614     -0.219364
  H      -7.659133     10.444078     -0.840658
  H      -8.773535      9.554964     -1.926848
  H      -7.716083     10.155328      1.584069
  H      -6.768890      9.782964      3.857696
  H      -4.789012      3.261326      3.669705
  H      -6.543061      6.159892      0.477208
  H     -13.522922      0.970408      0.872806
  H     -12.223127      2.081802      0.331231
  H     -13.265380      2.546581      1.684358
  H     -11.047426      3.626051      1.604389
  H      -9.129349      4.862079      2.617346
  H      -6.403553      1.660387      7.207242
  H     -10.067947      0.176369      3.998227
  N      -2.311956      1.781559      3.220091
  H      -2.418631      2.042748      2.201224
88
Coordinates from ORCA-job orca E -6669.250178946972
  N      -2.173546     -0.079778      5.585359
  Mo     -3.070729      1.594081      4.798560
  N      -4.498150      1.771675      6.318870
  C      -3.926673      2.508491      7.453675
  C      -2.429853      2.231754      7.606849
  N      -1.629248      2.270901      6.312509
  C      -0.471774      1.312545      6.396779
  C      -1.003151     -0.120194      6.427340
  C      -1.121416      3.645369      5.964776
  C      -2.285199      4.540545      5.571161
  N      -3.243462      3.671419      4.917527
  H      -0.242006     -0.810256      6.032250
  H      -1.263637     -0.452306      7.444639
  H       0.127327      1.471484      5.491910
  H       0.140547      1.551589      7.278781
  H      -2.745457      5.032098      6.443630
  H      -1.949948      5.337574      4.889022
  H      -0.548780      4.042145      6.816545
  H      -0.442642      3.511394      5.113036
  H      -4.413859      2.194055      8.392163
  H      -4.121141      3.586074      7.338556
  H      -2.302132      1.225384      8.019842
  H      -1.971896      2.946794      8.305736
  C      -4.988915      2.984152     -0.934553
  C      -4.466798      2.155646      0.200463
  O      -3.291233      2.268963      0.576088
  C      -5.390945      1.195897      0.872738
  C      -6.757927      1.071687      0.564790
  C      -7.560513      0.180210      1.271073
  C      -7.017462     -0.552194      2.325375
  F      -7.824911     -1.350821      3.032951
  C      -5.666323     -0.429637      2.684987
  C      -5.042652     -1.123828      3.837703
  O      -5.345410     -2.222638      4.266867
  N      -3.977674     -0.381699      4.429242
  C      -3.051272     -0.981042      5.178365
  C      -4.876029      0.410147      1.903325
  C      -8.753397      9.429696     -0.763943
  C      -8.058356      8.137560     -0.407723
  O      -7.996943      7.207397     -1.206367
  C      -7.440764      8.010969      0.952065
  C      -7.512605      9.025997      1.921865
  C      -6.933679      8.845686      3.173716
  C      -6.269756      7.654196      3.454932
  F      -5.756319      7.515731      4.693351
  C      -6.160451      6.618060      2.510777
  C      -5.485017      5.301249      2.728043
  O      -5.739719      4.354806      1.973422
  N      -4.539945      5.262010      3.753931
  C      -4.217600      4.039813      4.107696
  C      -6.769398      6.827517      1.268385
  C     -12.405861      2.108308      0.848749
  C     -11.530459      1.363952      1.829241
  O     -11.692768      0.166753      2.045329
  C     -10.445413      2.120515      2.535716
  C     -10.130478      3.455553      2.229848
  C      -9.103229      4.113484      2.901287
  C      -8.386356      3.420130      3.869379
  F      -7.440238      4.097176      4.558464
  C      -8.644776      2.077673      4.184045
  C      -7.846575      1.290123      5.179133
  O      -8.353511      0.410177      5.867128
  N      -6.474934      1.560515      5.150810
  C      -5.845524      1.669651      6.277846
  C      -9.705128      1.456678      3.520911
  H      -5.819649      3.612388     -0.580663
  H      -4.190320      3.622315     -1.325637
  H      -5.378760      2.339678     -1.736481
  H      -7.207195      1.676458     -0.222907
  H      -8.620045      0.065986      1.046424
  H      -3.025589     -2.056532      5.401548
  H      -3.808017      0.434300      2.092356
  H      -9.563312      9.650398     -0.052490
  H      -8.047713     10.273631     -0.719843
  H      -9.164404      9.351010     -1.775574
  H      -8.029218      9.961956      1.708506
  H      -6.993572      9.611932      3.946876
  H      -4.823164      3.190618      3.697406
  H      -6.712622      6.035121      0.521411
  H     -13.134654      1.413741      0.418827
  H     -11.802828      2.555450      0.044196
  H     -12.937206      2.932171      1.349428
  H     -10.688578      3.993409      1.463833
  H      -8.850962      5.153363      2.691821
  H      -6.381806      1.733535      7.240766
  H      -9.944139      0.419264      3.759386
  N      -2.370897      1.695574      3.209691
  H      -2.512192      1.928692      2.187595
88
Coordinates from ORCA-job orca E -6669.250337224026
  N      -2.198391     -0.093065      5.609629
  Mo     -3.074121      1.581183      4.798750
  N      -4.495074      1.809771      6.317252
  C      -3.908313      2.551763      7.441364
  C      -2.414358      2.253132      7.592153
  N      -1.615503      2.260359      6.295557
  C      -0.471910      1.286206      6.391595
  C      -1.023546     -0.138219      6.445468
  C      -1.085525      3.620496      5.925424
  C      -2.234924      4.527761      5.519255
  N      -3.207494      3.664106      4.880349
  H      -0.274208     -0.844663      6.056188
  H      -1.283216     -0.452328      7.468934
  H       0.126984      1.422424      5.482711
  H       0.146762      1.529790      7.267986
  H      -2.686336      5.040165      6.384443
  H      -1.886944      5.308610      4.824663
  H      -0.505055      4.021197      6.770044
  H      -0.410449      3.461824      5.074891
  H      -4.395581      2.254582      8.385509
  H      -4.087161      3.630908      7.315208
  H      -2.301693      1.250593      8.019195
  H      -1.942799      2.970250      8.279866
  C      -4.968180      2.911010     -0.920461
  C      -4.468733      2.093330      0.232981
  O      -3.294320      2.195644      0.617691
  C      -5.410612      1.160738      0.916318
  C      -6.780108      1.057112      0.610867
  C      -7.597650      0.186276      1.326800
  C      -7.064606     -0.547655      2.385930
  F      -7.881652     -1.331915      3.099190
  C      -5.712484     -0.439327      2.745094
  C      -5.098568     -1.123302      3.907229
  O      -5.408304     -2.214280      4.349949
  N      -4.017910     -0.387406      4.475282
  C      -3.092473     -0.988034      5.223683
  C      -4.908819      0.381136      1.957141
  C      -8.916348      9.409364     -0.633420
  C      -8.205594      8.118036     -0.306105
  O      -8.199394      7.177623     -1.095131
  C      -7.502907      8.004847      1.013024
  C      -7.519450      9.027032      1.977893
  C      -6.866700      8.857503      3.194320
  C      -6.185448      7.668961      3.444907
  F      -5.600977      7.540878      4.652331
  C      -6.129471      6.625751      2.503450
  C      -5.447605      5.307977      2.695794
  O      -5.755987      4.350696      1.974378
  N      -4.485117      5.258504      3.704221
  C      -4.180640      4.035710      4.071528
  C      -6.810047      6.825587      1.297016
  C     -12.286114      2.090300      0.693657
  C     -11.397807      1.357574      1.671727
  O     -11.491235      0.144801      1.830660
  C     -10.381323      2.144817      2.442692
  C     -10.117429      3.499869      2.181498
  C      -9.142158      4.183535      2.901616
  C      -8.423267      3.496164      3.871883
  F      -7.520924      4.194023      4.599395
  C      -8.637100      2.138523      4.151204
  C      -7.839464      1.359487      5.153386
  O      -8.347337      0.478229      5.840208
  N      -6.466613      1.631730      5.135531
  C      -5.844571      1.742752      6.267029
  C      -9.649098      1.489880      3.440418
  H      -5.781993      3.568368     -0.579991
  H      -4.152622      3.520380     -1.323423
  H      -5.374979      2.261011     -1.709655
  H      -7.219083      1.659593     -0.184531
  H      -8.659125      0.084507      1.101741
  H      -3.080506     -2.059901      5.464869
  H      -3.840637      0.391526      2.148849
  H      -9.680890      9.640281      0.123674
  H      -8.206237     10.250842     -0.640671
  H      -9.388580      9.321930     -1.617243
  H      -8.050430      9.960127      1.788833
  H      -6.882225      9.629610      3.963815
  H      -4.803172      3.188895      3.679971
  H      -6.797252      6.027098      0.554632
  H     -12.961174      1.373367      0.213719
  H     -11.687507      2.602414     -0.074939
  H     -12.876411      2.862797      1.209084
  H     -10.673557      4.033150      1.409949
  H      -8.929117      5.237075      2.724184
  H      -6.386953      1.826418      7.225266
  H      -9.850523      0.437461      3.645539
  N      -2.387863      1.641158      3.202546
  H      -2.536689      1.855082      2.177984
88
Coordinates from ORCA-job orca E -6669.250770345468
  N      -2.181443     -0.094816      5.622909
  Mo     -3.064678      1.570706      4.802536
  N      -4.493061      1.803884      6.313293
  C      -3.911586      2.549343      7.438157
  C      -2.416714      2.255769      7.592738
  N      -1.612827      2.264284      6.299763
  C      -0.463900      1.297508      6.402792
  C      -1.006597     -0.130208      6.459352
  C      -1.088984      3.626284      5.928842
  C      -2.241645      4.525213      5.514906
  N      -3.203671      3.654476      4.870515
  H      -0.252401     -0.832462      6.072209
  H      -1.264942     -0.443733      7.483260
  H       0.137161      1.434476      5.495492
  H       0.150484      1.547668      7.280325
  H      -2.702175      5.035504      6.376555
  H      -1.893786      5.307469      4.821928
  H      -0.515030      4.032312      6.775354
  H      -0.409125      3.469482      5.081887
  H      -4.398558      2.249496      8.381585
  H      -4.094527      3.627726      7.311858
  H      -2.302059      1.254252      8.021618
  H      -1.950100      2.975364      8.281250
  C      -4.943369      2.842387     -0.933181
  C      -4.446073      2.038811      0.230256
  O      -3.278635      2.163232      0.628289
  C      -5.384377      1.105223      0.915152
  C      -6.751545      0.989914      0.601929
  C      -7.568394      0.120047      1.319909
  C      -7.036622     -0.600849      2.388702
  F      -7.853156     -1.383737      3.104161
  C      -5.687033     -0.480776      2.754774
  C      -5.074236     -1.152629      3.924751
  O      -5.380010     -2.242102      4.374334
  N      -4.000387     -0.405805      4.491770
  C      -3.070189     -0.996984      5.241411
  C      -4.883376      0.338135      1.965393
  C      -8.988956      9.364987     -0.604736
  C      -8.264586      8.079043     -0.285543
  O      -8.256116      7.140214     -1.076518
  C      -7.551311      7.968889      1.028232
  C      -7.581689      8.982882      2.001294
  C      -6.922635      8.814206      3.214359
  C      -6.221866      7.634569      3.453873
  F      -5.633830      7.507246      4.659489
  C      -6.151351      6.599569      2.503731
  C      -5.457313      5.286482      2.688415
  O      -5.727798      4.343072      1.934020
  N      -4.493268      5.238677      3.694332
  C      -4.177876      4.017919      4.059371
  C      -6.837272      6.799376      1.300108
  C     -12.289471      2.232856      0.690040
  C     -11.375852      1.472940      1.622141
  O     -11.442688      0.251884      1.723353
  C     -10.365472      2.241943      2.417862
  C     -10.100320      3.602417      2.189533
  C      -9.120115      4.266121      2.921267
  C      -8.398328      3.553224      3.870288
  F      -7.478523      4.225756      4.601150
  C      -8.621095      2.192824      4.124817
  C      -7.829211      1.391760      5.113208
  O      -8.351256      0.530300      5.812959
  N      -6.453456      1.651962      5.107381
  C      -5.842620      1.755033      6.245974
  C      -9.636236      1.562894      3.401659
  H      -5.758110      3.503534     -0.600333
  H      -4.127501      3.447987     -1.340414
  H      -5.349377      2.184158     -1.715977
  H      -7.188957      1.582126     -0.201878
  H      -8.627230      0.006266      1.087091
  H      -3.050492     -2.067768      5.486842
  H      -3.816571      0.355022      2.163665
  H      -9.753281      9.584451      0.156004
  H      -8.287310     10.213351     -0.609808
  H      -9.463836      9.277485     -1.587304
  H      -8.128869      9.908451      1.821501
  H      -6.948470      9.579816      3.990031
  H      -4.792675      3.165051      3.667833
  H      -6.815306      6.006719      0.552008
  H     -12.960800      1.527161      0.189571
  H     -11.709722      2.785600     -0.064761
  H     -12.882655      2.974450      1.246539
  H     -10.656607      4.154977      1.432094
  H      -8.903676      5.322447      2.765421
  H      -6.395278      1.848814      7.197272
  H      -9.843837      0.507852      3.585779
  N      -2.382974      1.623564      3.205023
  H      -2.539318      1.828087      2.178413
88
Coordinates from ORCA-job orca E -6669.250825003896
  N      -2.173867     -0.094010      5.634248
  Mo     -3.049086      1.573000      4.808832
  N      -4.492062      1.812538      6.307432
  C      -3.914915      2.553268      7.437815
  C      -2.422568      2.252622      7.601699
  N      -1.606859      2.263495      6.317918
  C      -0.460414      1.295802      6.430035
  C      -1.004305     -0.131657      6.478174
  C      -1.078692      3.626105      5.957510
  C      -2.227011      4.526224      5.535446
  N      -3.178602      3.658314      4.873297
  H      -0.247595     -0.832472      6.094158
  H      -1.269712     -0.448313      7.499140
  H       0.149817      1.434293      5.529246
  H       0.145595      1.543298      7.314020
  H      -2.699282      5.031020      6.393946
  H      -1.870661      5.312635      4.851812
  H      -0.513306      4.028429      6.811482
  H      -0.390760      3.472352      5.116782
  H      -4.406214      2.249692      8.377678
  H      -4.094357      3.632345      7.315053
  H      -2.315813      1.249115      8.027641
  H      -1.959480      2.967649      8.297288
  C      -5.012485      2.806971     -0.964789
  C      -4.491438      2.018425      0.196708
  O      -3.322062      2.166062      0.579427
  C      -5.406296      1.071626      0.892766
  C      -6.770811      0.924692      0.579213
  C      -7.570775      0.045722      1.304134
  C      -7.025105     -0.650522      2.381857
  F      -7.827380     -1.441929      3.103517
  C      -5.677503     -0.500944      2.747910
  C      -5.051816     -1.162770      3.918810
  O      -5.356340     -2.250045      4.377189
  N      -3.986901     -0.406586      4.492969
  C      -3.060036     -0.996086      5.247306
  C      -4.888832      0.323442      1.949056
  C      -8.994705      9.366573     -0.577075
  C      -8.272119      8.079512     -0.257279
  O      -8.281672      7.132956     -1.039027
  C      -7.539152      7.977185      1.046452
  C      -7.563697      8.992693      2.018023
  C      -6.891032      8.828491      3.224140
  C      -6.182937      7.651827      3.458706
  F      -5.582745      7.532102      4.658978
  C      -6.117230      6.615099      2.509110
  C      -5.424632      5.300163      2.691382
  O      -5.669194      4.370070      1.911986
  N      -4.463995      5.245969      3.698013
  C      -4.147777      4.024011      4.056801
  C      -6.816141      6.811723      1.312139
  C     -12.298826      2.202878      0.684701
  C     -11.326108      1.463698      1.570743
  O     -11.309349      0.234814      1.613979
  C     -10.361144      2.258666      2.394759
  C     -10.144571      3.631755      2.190873
  C      -9.186224      4.316199      2.932346
  C      -8.437841      3.611759      3.866985
  F      -7.520571      4.294534      4.592601
  C      -8.627000      2.245451      4.111510
  C      -7.833677      1.463517      5.111235
  O      -8.348031      0.577544      5.782829
  N      -6.454431      1.701818      5.089424
  C      -5.841290      1.785450      6.228251
  C      -9.617636      1.591659      3.375161
  H      -5.820612      3.472068     -0.619709
  H      -4.206214      3.408942     -1.393797
  H      -5.436080      2.141548     -1.732085
  H      -7.219044      1.499457     -0.230917
  H      -8.626254     -0.095445      1.069842
  H      -3.039162     -2.067204      5.490620
  H      -3.822766      0.357514      2.144461
  H      -9.750926      9.592963      0.189997
  H      -8.290153     10.212077     -0.593287
  H      -9.480116      9.275187     -1.554285
  H      -8.117314      9.915487      1.842909
  H      -6.911526      9.595461      3.998698
  H      -4.755224      3.170709      3.655505
  H      -6.800246      6.017525      0.565876
  H     -12.935213      1.479126      0.166915
  H     -11.764439      2.816325     -0.056366
  H     -12.924906      2.887637      1.278534
  H     -10.717231      4.176447      1.441036
  H      -9.004126      5.381937      2.789481
  H      -6.396256      1.892083      7.176577
  H      -9.798931      0.530615      3.550663
  N      -2.365327      1.624047      3.213825
  H      -2.527208      1.827090      2.184474
88
Coordinates from ORCA-job orca E -6669.251278652074
  N      -2.167397     -0.105628      5.664843
  Mo     -3.048354      1.549478      4.821942
  N      -4.479113      1.823071      6.321492
  C      -3.891842      2.572939      7.440257
  C      -2.398686      2.266970      7.597270
  N      -1.590987      2.260494      6.307252
  C      -0.444470      1.293162      6.423641
  C      -0.988539     -0.133152      6.496095
  C      -1.063822      3.617876      5.925961
  C      -2.214523      4.512734      5.499184
  N      -3.168467      3.636696      4.851553
  H      -0.236321     -0.839410      6.112934
  H      -1.242997     -0.436582      7.523873
  H       0.158575      1.418685      5.516085
  H       0.169115      1.552367      7.299096
  H      -2.682758      5.027592      6.353965
  H      -1.861505      5.291242      4.804781
  H      -0.492725      4.030986      6.770957
  H      -0.381345      3.452595      5.082918
  H      -4.378437      2.281091      8.386434
  H      -4.066322      3.651614      7.307573
  H      -2.293013      1.268085      8.034335
  H      -1.928529      2.988099      8.281756
  C      -5.049685      2.692330     -0.943436
  C      -4.522961      1.914284      0.222689
  O      -3.350024      2.064112      0.595687
  C      -5.434313      0.976837      0.935262
  C      -6.800230      0.825517      0.630321
  C      -7.598190     -0.038900      1.374712
  C      -7.048561     -0.714181      2.463910
  F      -7.850719     -1.484307      3.208030
  C      -5.698279     -0.562263      2.819067
  C      -5.064724     -1.202488      3.997998
  O      -5.367151     -2.279830      4.480010
  N      -3.995207     -0.435797      4.550551
  C      -3.059513     -1.013121      5.303195
  C      -4.911967      0.244092      1.999901
  C      -9.281563      9.168604     -0.456349
  C      -8.514936      7.902966     -0.154397
  O      -8.546230      6.942284     -0.918143
  C      -7.711831      7.839138      1.109701
  C      -7.717949      8.865020      2.070588
  C      -6.981390      8.734354      3.242848
  C      -6.227881      7.581537      3.453577
  F      -5.565282      7.494697      4.623357
  C      -6.177247      6.536819      2.511796
  C      -5.439219      5.243736      2.672887
  O      -5.702467      4.293732      1.924322
  N      -4.467579      5.208002      3.668746
  C      -4.146059      3.992113      4.039777
  C      -6.941234      6.699035      1.350088
  C     -12.056652      2.547888      0.478025
  C     -11.091636      1.757907      1.327480
  O     -11.030895      0.532283      1.252691
  C     -10.184363      2.498361      2.259481
  C      -9.968499      3.882998      2.162109
  C      -9.047742      4.516938      2.990826
  C      -8.337288      3.751193      3.906467
  F      -7.449847      4.383626      4.712409
  C      -8.536218      2.372218      4.053400
  C      -7.790491      1.527320      5.038039
  O      -8.344738      0.633391      5.667270
  N      -6.409357      1.744214      5.068331
  C      -5.825856      1.817552      6.224105
  C      -9.487524      1.767346      3.229205
  H      -5.840976      3.375140     -0.594641
  H      -4.241065      3.275969     -1.393659
  H      -5.496836      2.023544     -1.693788
  H      -7.252114      1.388572     -0.186172
  H      -8.655899     -0.180970      1.150412
  H      -3.035203     -2.080432      5.562837
  H      -3.844853      0.277563      2.188799
  H     -10.004520      9.389383      0.343653
  H      -8.598515     10.029433     -0.518901
  H      -9.812286      9.051381     -1.406754
  H      -8.307359      9.768746      1.914382
  H      -6.985858      9.509267      4.009657
  H      -4.755957      3.133211      3.655815
  H      -6.939198      5.896835      0.612296
  H     -12.654508      1.857591     -0.125031
  H     -11.516710      3.238985     -0.186896
  H     -12.719624      3.160535      1.108554
  H     -10.508326      4.476433      1.424819
  H      -8.864597      5.589679      2.928000
  H      -6.397956      1.938714      7.160385
  H      -9.674915      0.697211      3.326032
  N      -2.388740      1.570120      3.217181
  H      -2.568953      1.754044      2.185735
88
Coordinates from ORCA-job orca E -6669.250826296617
  N      -2.154384     -0.084801      5.633032
  Mo     -3.059824      1.567239      4.808324
  N      -4.494839      1.798533      6.307337
  C      -3.921798      2.546618      7.434576
  C      -2.422873      2.261777      7.591889
  N      -1.611217      2.280994      6.302075
  C      -0.451476      1.328140      6.409020
  C      -0.975721     -0.105878      6.464443
  C      -1.100836      3.649234      5.938375
  C      -2.264107      4.533364      5.525063
  N      -3.205372      3.653087      4.864318
  H      -0.213449     -0.797855      6.074084
  H      -1.226798     -0.424571      7.488722
  H       0.152064      1.472510      5.504300
  H       0.157057      1.585508      7.288775
  H      -2.739275      5.029828      6.386886
  H      -1.923090      5.326779      4.841288
  H      -0.534378      4.058671      6.788335
  H      -0.416934      3.504229      5.092459
  H      -4.405828      2.238125      8.376869
  H      -4.112418      3.623565      7.311273
  H      -2.303276      1.259841      8.018676
  H      -1.965701      2.982526      8.285742
  C      -5.060064      2.776854     -0.874464
  C      -4.537884      1.974283      0.279231
  O      -3.368052      2.117749      0.666430
  C      -5.444344      1.007972      0.960162
  C      -6.803073      0.830076      0.639471
  C      -7.587175     -0.069449      1.359297
  C      -7.028163     -0.762131      2.433671
  F      -7.812145     -1.578603      3.148133
  C      -5.687123     -0.578107      2.806305
  C      -5.044225     -1.213818      3.977595
  O      -5.312999     -2.306046      4.444178
  N      -3.982836     -0.431952      4.523184
  C      -3.034565     -1.001777      5.264331
  C      -4.917394      0.270910      2.017350
  C      -9.140925      9.248961     -0.573471
  C      -8.456375      7.954872     -0.203859
  O      -8.576113      6.950330     -0.899563
  C      -7.624399      7.917808      1.042105
  C      -7.537116      8.999830      1.935246
  C      -6.779878      8.892145      3.096532
  C      -6.099174      7.706138      3.364133
  F      -5.408742      7.651385      4.519526
  C      -6.143876      6.603873      2.490517
  C      -5.483593      5.277851      2.707131
  O      -5.816351      4.309534      2.011613
  N      -4.506298      5.230507      3.699224
  C      -4.187384      4.011630      4.058292
  C      -6.925088      6.745868      1.338047
  C     -12.139475      2.483712      0.556249
  C     -11.114710      1.682586      1.321718
  O     -10.986308      0.475427      1.143618
  C     -10.237807      2.391260      2.305176
  C     -10.097582      3.788986      2.321524
  C      -9.199793      4.400270      3.190663
  C      -8.430544      3.601001      4.027906
  F      -7.559770      4.216903      4.865415
  C      -8.562267      2.206443      4.069751
  C      -7.770682      1.326806      4.986778
  O      -8.288537      0.396593      5.600040
  N      -6.408821      1.632082      5.051450
  C      -5.839137      1.729496      6.213433
  C      -9.495160      1.622481      3.210092
  H      -5.856383      3.447134     -0.515857
  H      -4.250543      3.375271     -1.305591
  H      -5.499284      2.125163     -1.643942
  H      -7.262528      1.401939     -0.167222
  H      -8.643901     -0.221455      1.130503
  H      -2.994196     -2.071191      5.513892
  H      -3.855237      0.339309      2.224790
  H      -9.827063      9.571710      0.224264
  H      -8.402127     10.054094     -0.707434
  H      -9.702311      9.107763     -1.502557
  H      -8.069176      9.929898      1.735039
  H      -6.711053      9.711994      3.811715
  H      -4.789562      3.153767      3.659489
  H      -6.996068      5.900033      0.654099
  H     -12.714446      1.812033     -0.090757
  H     -11.652534      3.253250     -0.062563
  H     -12.815460      3.008960      1.246667
  H     -10.681119      4.412555      1.643280
  H      -9.078617      5.481134      3.219266
  H      -6.419260      1.811205      7.149414
  H      -9.633968      0.540920      3.229314
  N      -2.408466      1.612781      3.200270
  H      -2.597208      1.807040      2.177337
88
Coordinates from ORCA-job orca E -6669.251672815363
  N      -2.170136     -0.094060      5.649713
  Mo     -3.048431      1.566090      4.813210
  N      -4.496114      1.818321      6.301841
  C      -3.920500      2.558742      7.432528
  C      -2.427984      2.256114      7.601004
  N      -1.606006      2.266273      6.319980
  C      -0.458166      1.301406      6.439433
  C      -0.999482     -0.126563      6.492453
  C      -1.078636      3.629126      5.960121
  C      -2.227956      4.525146      5.533077
  N      -3.169486      3.653875      4.861092
  H      -0.241496     -0.827431      6.110074
  H      -1.263351     -0.440649      7.514873
  H       0.155203      1.437573      5.540191
  H       0.144900      1.553497      7.324355
  H      -2.708127      5.026700      6.389107
  H      -1.870858      5.314854      4.853344
  H      -0.517019      4.033606      6.815609
  H      -0.387423      3.476240      5.121641
  H      -4.413588      2.255776      8.371888
  H      -4.098186      3.637777      7.308282
  H      -2.324245      1.252481      8.027593
  H      -1.967794      2.970831      8.298982
  C      -5.025312      2.764557     -0.919682
  C      -4.501989      1.960160      0.231239
  O      -3.333298      2.107747      0.619138
  C      -5.413524      1.003065      0.918118
  C      -6.771462      0.830592      0.591380
  C      -7.563994     -0.060711      1.310906
  C      -7.015465     -0.747064      2.394531
  F      -7.808128     -1.556804      3.106837
  C      -5.676180     -0.566448      2.777077
  C      -5.047769     -1.200903      3.958976
  O      -5.334921     -2.286924      4.430505
  N      -3.989145     -0.424772      4.519816
  C      -3.055902     -1.002182      5.273975
  C      -4.896562      0.271893      1.985415
  C      -9.206278      9.228299     -0.493571
  C      -8.489808      7.944108     -0.150141
  O      -8.601244      6.945084     -0.855202
  C      -7.637537      7.909555      1.082285
  C      -7.562441      8.980404      1.989947
  C      -6.787282      8.873225      3.139536
  C      -6.076538      7.699173      3.380990
  F      -5.369914      7.643535      4.526607
  C      -6.107169      6.609185      2.491374
  C      -5.418813      5.293362      2.681816
  O      -5.723543      4.336346      1.957435
  N      -4.451108      5.242147      3.683888
  C      -4.139482      4.020435      4.044336
  C      -6.906729      6.750235      1.351091
  C     -12.186161      2.411433      0.570273
  C     -11.177901      1.638468      1.383949
  O     -11.081170      0.416796      1.287607
  C     -10.274492      2.389858      2.309664
  C     -10.088469      3.779839      2.222168
  C      -9.168536      4.423731      3.043920
  C      -8.421956      3.663354      3.935150
  F      -7.530120      4.306130      4.727825
  C      -8.591964      2.280060      4.073162
  C      -7.812326      1.443494      5.038997
  O      -8.342371      0.546398      5.686554
  N      -6.436797      1.696033      5.059554
  C      -5.843820      1.786318      6.209210
  C      -9.550841      1.666118      3.265062
  H      -5.814719      3.441686     -0.556239
  H      -4.214435      3.356380     -1.355934
  H      -5.474365      2.115149     -1.685624
  H      -7.222719      1.397851     -0.222899
  H      -8.620165     -0.208657      1.075269
  H      -3.028479     -2.071460      5.525195
  H      -3.835551      0.334095      2.198019
  H      -9.888118      9.526016      0.317750
  H      -8.486593     10.050647     -0.626715
  H      -9.777512      9.087278     -1.416922
  H      -8.118416      9.900933      1.810776
  H      -6.727674      9.683967      3.865987
  H      -4.744629      3.167445      3.640600
  H      -6.969070      5.912249      0.656771
  H     -12.786249      1.712080     -0.021273
  H     -11.681702      3.118733     -0.105970
  H     -12.841163      3.005552      1.225303
  H     -10.653896      4.370362      1.500938
  H      -9.012493      5.500518      2.993402
  H      -6.412467      1.888195      7.149830
  H      -9.725587      0.594880      3.365645
  N      -2.381032      1.601992      3.211932
  H      -2.560553      1.796571      2.185492
88
Coordinates from ORCA-job orca E -6669.251062605640
  N      -2.176833     -0.113175      5.664486
  Mo     -3.050067      1.546708      4.823967
  N      -4.481293      1.834138      6.319696
  C      -3.886218      2.570320      7.442622
  C      -2.395730      2.250710      7.597391
  N      -1.584824      2.246138      6.309627
  C      -0.444240      1.272755      6.425203
  C      -0.996254     -0.150248      6.493004
  C      -1.048348      3.601598      5.935935
  C      -2.191990      4.504835      5.509787
  N      -3.144050      3.637013      4.849033
  H      -0.248946     -0.859214      6.105465
  H      -1.249875     -0.456183      7.520184
  H       0.161277      1.397811      5.519244
  H       0.169492      1.525838      7.302353
  H      -2.662481      5.015559      6.365683
  H      -1.832431      5.287352      4.823344
  H      -0.476713      4.007266      6.784117
  H      -0.364970      3.435893      5.093655
  H      -4.373282      2.275750      8.387749
  H      -4.052068      3.651096      7.317265
  H      -2.299868      1.247891      8.027204
  H      -1.921099      2.962801      8.288196
  C      -5.128685      2.708772     -0.898938
  C      -4.589235      1.922082      0.255481
  O      -3.418772      2.086622      0.630587
  C      -5.489274      0.970441      0.963914
  C      -6.851919      0.796482      0.656476
  C      -7.636217     -0.086797      1.393436
  C      -7.074560     -0.762435      2.476908
  F      -7.860363     -1.563087      3.206020
  C      -5.729125     -0.582315      2.840767
  C      -5.084963     -1.214090      4.017636
  O      -5.377548     -2.292512      4.504820
  N      -4.014546     -0.440067      4.561944
  C      -3.075242     -1.017616      5.308771
  C      -4.958280      0.247224      2.030378
  C      -9.426899      9.081443     -0.355587
  C      -8.695550      7.808291     -0.002754
  O      -8.866787      6.776660     -0.646253
  C      -7.756989      7.824302      1.165674
  C      -7.625212      8.928639      2.025377
  C      -6.776928      8.864242      3.125378
  C      -6.050195      7.699500      3.365506
  F      -5.272530      7.689000      4.465173
  C      -6.134368      6.576969      2.520109
  C      -5.446885      5.261591      2.719848
  O      -5.730530      4.311431      1.978229
  N      -4.444067      5.225156      3.686054
  C      -4.123594      4.004757      4.045075
  C      -7.004399      6.677421      1.427601
  C     -11.912165      2.517066      0.326445
  C     -10.920458      1.759194      1.172295
  O     -10.753775      0.547193      1.032231
  C     -10.109223      2.514824      2.175981
  C      -9.950275      3.909998      2.125219
  C      -9.097964      4.558115      3.014385
  C      -8.391386      3.795953      3.937195
  F      -7.557306      4.438311      4.791135
  C      -8.540279      2.408100      4.040505
  C      -7.797228      1.565836      5.030555
  O      -8.349022      0.654792      5.635706
  N      -6.416108      1.779401      5.066093
  C      -5.828885      1.846289      6.219777
  C      -9.432750      1.789830      3.163335
  H      -5.905095      3.398912     -0.529919
  H      -4.322863      3.287217     -1.360024
  H      -5.598372      2.050777     -1.644519
  H      -7.312850      1.356419     -0.157105
  H      -8.695413     -0.234075      1.172888
  H      -3.052140     -2.084773      5.569004
  H      -3.893864      0.304592      2.225842
  H     -10.051832      9.419678      0.485133
  H      -8.714320      9.891728     -0.572476
  H     -10.059559      8.903727     -1.231434
  H      -8.194451      9.841722      1.849043
  H      -6.672435      9.701616      3.815670
  H      -4.741390      3.152637      3.660408
  H      -7.111241      5.812984      0.772185
  H     -12.448623      1.814955     -0.318622
  H     -11.397546      3.263470     -0.297946
  H     -12.627074      3.065377      0.959663
  H     -10.477263      4.500612      1.376657
  H      -8.959715      5.639312      2.988566
  H      -6.399691      1.962316      7.157011
  H      -9.587468      0.712820      3.231999
  N      -2.408357      1.558882      3.212810
  H      -2.608070      1.742948      2.184907
88
Coordinates from ORCA-job orca E -6669.252050100756
  N      -2.168333     -0.105624      5.667791
  Mo     -3.038535      1.552964      4.820709
  N      -4.494663      1.819804      6.296081
  C      -3.922421      2.557815      7.429670
  C      -2.432273      2.248730      7.608123
  N      -1.601037      2.254308      6.332818
  C      -0.456312      1.287041      6.462045
  C      -1.001198     -0.139467      6.515391
  C      -1.067338      3.614883      5.973662
  C      -2.210720      4.512954      5.535544
  N      -3.147237      3.642390      4.855692
  H      -0.243500     -0.842908      6.137270
  H      -1.269776     -0.451106      7.537266
  H       0.162889      1.419564      5.566274
  H       0.142073      1.540025      7.349880
  H      -2.697230      5.016171      6.386961
  H      -1.846656      5.301657      4.858392
  H      -0.510816      4.019921      6.832184
  H      -0.370403      3.457865      5.140690
  H      -4.422876      2.258307      8.366280
  H      -4.094051      3.637708      7.303415
  H      -2.335955      1.245022      8.036098
  H      -1.974032      2.961990      8.308815
  C      -5.016059      2.735669     -0.913924
  C      -4.496892      1.939457      0.244469
  O      -3.326480      2.083823      0.629406
  C      -5.411441      0.988149      0.935369
  C      -6.771669      0.823634      0.614710
  C      -7.567266     -0.060042      1.339695
  C      -7.018850     -0.748989      2.421559
  F      -7.815664     -1.547912      3.141353
  C      -5.676038     -0.579262      2.797024
  C      -5.045346     -1.216461      3.976012
  O      -5.338534     -2.297883      4.454628
  N      -3.986679     -0.438783      4.535819
  C      -3.055560     -1.013870      5.294183
  C      -4.895112      0.254557      2.001469
  C      -9.407633      9.063855     -0.396526
  C      -8.675564      7.793322     -0.036480
  O      -8.846790      6.757722     -0.673827
  C      -7.735316      7.817301      1.130203
  C      -7.602886      8.926829      1.983230
  C      -6.751629      8.869770      3.081267
  C      -6.022979      7.707324      3.326503
  F      -5.239680      7.705414      4.422133
  C      -6.107632      6.580159      2.487704
  C      -5.409756      5.270066      2.684933
  O      -5.706835      4.309449      1.962012
  N      -4.430003      5.231326      3.676470
  C      -4.114712      4.010033      4.036871
  C      -6.980732      6.673103      1.397121
  C     -12.098446      2.578413      0.478422
  C     -11.104804      1.778627      1.283441
  O     -11.017343      0.558083      1.160068
  C     -10.208326      2.501855      2.237687
  C     -10.010328      3.891733      2.180066
  C      -9.103031      4.512925      3.032754
  C      -8.380625      3.730511      3.924912
  F      -7.502312      4.351580      4.749360
  C      -8.558923      2.345541      4.029384
  C      -7.801210      1.486181      4.994094
  O      -8.346600      0.574577      5.607427
  N      -6.423710      1.722075      5.033567
  C      -5.841877      1.802526      6.189134
  C      -9.503980      1.753588      3.189389
  H      -5.791887      3.429175     -0.551899
  H      -4.199836      3.310469     -1.362852
  H      -5.480865      2.084640     -1.668672
  H      -7.223601      1.393925     -0.197112
  H      -8.627211     -0.192656      1.113602
  H      -3.030708     -2.081866      5.551155
  H      -3.832757      0.309664      2.209232
  H     -10.032278      9.406865      0.442440
  H      -8.695615      9.873351     -0.619038
  H     -10.040724      8.880557     -1.270812
  H      -8.173344      9.838290      1.802956
  H      -6.645613      9.711483      3.765990
  H      -4.721240      3.157748      3.634115
  H      -7.085309      5.805601      0.745458
  H     -12.706603      1.897869     -0.126486
  H     -11.579119      3.287096     -0.185193
  H     -12.745835      3.173819      1.139708
  H     -10.555749      4.500140      1.458440
  H      -8.938964      5.589534      3.006282
  H      -6.419040      1.907676      7.124204
  H      -9.687364      0.681571      3.266063
  N      -2.370018      1.576800      3.220053
  H      -2.551596      1.765774      2.191663
88
Coordinates from ORCA-job orca E -6669.252192338849
  N      -2.164918     -0.096773      5.672002
  Mo     -3.041514      1.557498      4.823681
  N      -4.501575      1.819219      6.294378
  C      -3.933816      2.559166      7.429019
  C      -2.443025      2.254192      7.611077
  N      -1.608158      2.264662      6.338049
  C      -0.459689      1.302622      6.469267
  C      -0.998380     -0.126043      6.520527
  C      -1.079745      3.627795      5.982960
  C      -2.226531      4.520445      5.544085
  N      -3.154911      3.647043      4.856664
  H      -0.237333     -0.825792      6.142541
  H      -1.266429     -0.439727      7.541853
  H       0.161265      1.438456      5.575219
  H       0.135472      1.557512      7.358736
  H      -2.719293      5.018042      6.395213
  H      -1.864591      5.313624      4.871147
  H      -0.527373      4.033759      6.843722
  H      -0.380048      3.475940      5.151351
  H      -4.435069      2.257935      8.364568
  H      -4.108266      3.638499      7.302482
  H      -2.344923      1.250187      8.037817
  H      -1.989235      2.967854      8.314304
  C      -5.073657      2.715721     -0.906999
  C      -4.538993      1.928198      0.249845
  O      -3.377003      2.105591      0.644276
  C      -5.436266      0.959805      0.939646
  C      -6.790043      0.761483      0.610475
  C      -7.568562     -0.141156      1.330964
  C      -7.010204     -0.815337      2.417029
  F      -7.788806     -1.642173      3.125157
  C      -5.675263     -0.608642      2.803895
  C      -5.036811     -1.230367      3.986915
  O      -5.308413     -2.318906      4.462493
  N      -3.982909     -0.441442      4.541993
  C      -3.047636     -1.009764      5.299984
  C      -4.910200      0.243246      2.012380
  C      -9.432098      9.092889     -0.349400
  C      -8.731853      7.811170      0.033426
  O      -8.972735      6.756076     -0.547417
  C      -7.734939      7.849084      1.151526
  C      -7.535561      8.981202      1.960719
  C      -6.636558      8.935468      3.020382
  C      -5.928027      7.761633      3.271946
  F      -5.093690      7.776415      4.328843
  C      -6.079112      6.610852      2.475273
  C      -5.403863      5.289269      2.679111
  O      -5.732921      4.323835      1.977250
  N      -4.430014      5.238306      3.676617
  C      -4.121502      4.014706      4.036560
  C      -6.996702      6.694927      1.420811
  C     -12.057406      2.572073      0.432099
  C     -11.058612      1.775205      1.232975
  O     -10.934246      0.561960      1.074582
  C     -10.192543      2.494150      2.217268
  C     -10.020276      3.888525      2.194632
  C      -9.131758      4.505302      3.070145
  C      -8.397899      3.714908      3.945549
  F      -7.528920      4.331213      4.784069
  C      -8.558034      2.325713      4.020961
  C      -7.796744      1.457177      4.973578
  O      -8.337873      0.537613      5.577848
  N      -6.423157      1.707130      5.026678
  C      -5.848006      1.791608      6.184856
  C      -9.488536      1.738069      3.162193
  H      -5.862464      3.393261     -0.542328
  H      -4.269104      3.307266     -1.354678
  H      -5.526995      2.058044     -1.662801
  H      -7.249940      1.317369     -0.206804
  H      -8.622792     -0.302123      1.094954
  H      -3.016543     -2.077317      5.558129
  H      -3.851485      0.326898      2.228436
  H     -10.007418      9.492622      0.499693
  H      -8.701556      9.865307     -0.634349
  H     -10.108680      8.898674     -1.188038
  H      -8.090266      9.901671      1.776733
  H      -6.476476      9.795668      3.670769
  H      -4.723771      3.162989      3.625911
  H      -7.150373      5.811424      0.802003
  H     -12.644643      1.892978     -0.194066
  H     -11.542341      3.302845     -0.210782
  H     -12.723703      3.142762      1.096524
  H     -10.568144      4.503919      1.481117
  H      -8.988096      5.585004      3.071091
  H      -6.429007      1.893002      7.117978
  H      -9.656925      0.662407      3.216000
  N      -2.377230      1.581342      3.221463
  H      -2.566539      1.768652      2.194694
88
Coordinates from ORCA-job orca E -6669.252420800052
  N      -2.170239     -0.101543      5.677742
  Mo     -3.042996      1.553883      4.828507
  N      -4.509456      1.815827      6.289661
  C      -3.946512      2.552464      7.428467
  C      -2.457472      2.244228      7.619065
  N      -1.614643      2.257470      6.350972
  C      -0.467512      1.294559      6.486367
  C      -1.007327     -0.133866      6.531240
  C      -1.083707      3.621369      6.003015
  C      -2.227798      4.515425      5.560086
  N      -3.149957      3.644259      4.861144
  H      -0.245213     -0.833234      6.154510
  H      -1.279767     -0.450243      7.550626
  H       0.158752      1.432277      5.596250
  H       0.122958      1.546929      7.379729
  H      -2.726921      5.008893      6.409868
  H      -1.862539      5.312311      4.893319
  H      -0.536176      4.024741      6.868089
  H      -0.379083      3.471883      5.175026
  H      -4.454283      2.251759      8.360681
  H      -4.117471      3.632431      7.302040
  H      -2.363851      1.238611      8.043047
  H      -2.007133      2.954961      8.327473
  C      -5.086224      2.756278     -0.864457
  C      -4.546746      1.949200      0.277059
  O      -3.381078      2.114993      0.665935
  C      -5.442820      0.971744      0.955947
  C      -6.794823      0.769988      0.622594
  C      -7.569682     -0.144086      1.332474
  C      -7.010605     -0.826204      2.413362
  F      -7.786046     -1.665524      3.110030
  C      -5.678004     -0.614513      2.806666
  C      -5.038366     -1.239184      3.987025
  O      -5.306685     -2.329484      4.460254
  N      -3.986353     -0.447735      4.543700
  C      -3.052492     -1.014637      5.304271
  C      -4.916684      0.249030      2.024353
  C      -9.581252      8.988098     -0.245848
  C      -8.900907      7.713208      0.190714
  O      -9.245966      6.621813     -0.255922
  C      -7.794407      7.804046      1.196610
  C      -7.488190      8.986433      1.892926
  C      -6.493122      8.989074      2.863724
  C      -5.795801      7.813866      3.140333
  F      -4.861662      7.883449      4.107167
  C      -6.051202      6.612791      2.451430
  C      -5.395446      5.285843      2.683168
  O      -5.747623      4.308667      2.009070
  N      -4.418043      5.241047      3.679276
  C      -4.113417      4.016232      4.039362
  C      -7.060493      6.651051      1.481054
  C     -11.970125      2.636866      0.342751
  C     -11.006274      1.823294      1.169383
  O     -10.897065      0.608371      1.013517
  C     -10.156291      2.528157      2.177412
  C      -9.978618      3.922247      2.173872
  C      -9.104146      4.524662      3.073299
  C      -8.385037      3.721286      3.949313
  F      -7.525109      4.325446      4.806131
  C      -8.550291      2.331491      4.003783
  C      -7.797377      1.446317      4.948149
  O      -8.341444      0.513296      5.529313
  N      -6.425965      1.699456      5.017937
  C      -5.855832      1.782169      6.177601
  C      -9.471184      1.759003      3.125304
  H      -5.863508      3.436954     -0.480556
  H      -4.281012      3.346261     -1.313453
  H      -5.555388      2.114165     -1.623671
  H      -7.256568      1.330562     -0.190524
  H      -8.623075     -0.303707      1.092478
  H      -3.021694     -2.082010      5.563336
  H      -3.859930      0.340728      2.246105
  H     -10.059084      9.487944      0.610655
  H      -8.849734      9.696508     -0.663516
  H     -10.340352      8.753860     -0.999282
  H      -8.033569      9.908892      1.691625
  H      -6.247207      9.889894      3.426420
  H      -4.715188      3.167646      3.621646
  H      -7.290094      5.730015      0.945882
  H     -12.561273      1.967009     -0.289974
  H     -11.423191      3.348138     -0.296127
  H     -12.634052      3.230908      0.988291
  H     -10.507692      4.548571      1.455475
  H      -8.956976      5.603470      3.090190
  H      -6.439309      1.877281      7.109872
  H      -9.643331      0.683354      3.163850
  N      -2.378715      1.576980      3.226167
  H      -2.572749      1.767148      2.201578
88
Coordinates from ORCA-job orca E -6669.252641279659
  N      -2.156166     -0.095986      5.675046
  Mo     -3.041982      1.555916      4.833944
  N      -4.519026      1.794188      6.283027
  C      -3.971001      2.524427      7.432864
  C      -2.480981      2.227463      7.632660
  N      -1.628677      2.261980      6.371087
  C      -0.472326      1.310247      6.505629
  C      -0.997314     -0.124089      6.534352
  C      -1.110409      3.634873      6.040345
  C      -2.260799      4.520133      5.596432
  N      -3.165212      3.645744      4.878045
  H      -0.226236     -0.812050      6.154901
  H      -1.271341     -0.452793      7.549351
  H       0.158266      1.462625      5.620977
  H       0.109805      1.560830      7.404979
  H      -2.773666      4.998161      6.446737
  H      -1.900013      5.329138      4.941933
  H      -0.574373      4.036311      6.913473
  H      -0.397274      3.501298      5.216828
  H      -4.484278      2.211668      8.358084
  H      -4.149782      3.604177      7.314946
  H      -2.381645      1.218192      8.046517
  H      -2.042882      2.934691      8.352148
  C      -5.110337      2.785042     -0.838645
  C      -4.559418      1.970847      0.292780
  O      -3.390240      2.134476      0.672343
  C      -5.444924      0.978121      0.963526
  C      -6.795932      0.766243      0.632824
  C      -7.558648     -0.162562      1.336369
  C      -6.989586     -0.850653      2.408113
  F      -7.755397     -1.701620      3.100461
  C      -5.657489     -0.630067      2.798860
  C      -5.006075     -1.259652      3.969770
  O      -5.266168     -2.353126      4.440220
  N      -3.965293     -0.457279      4.533407
  C      -3.027482     -1.016656      5.294401
  C      -4.908767      0.249931      2.022964
  C      -9.646516      8.947824     -0.193900
  C      -9.001120      7.680586      0.311032
  O      -9.441136      6.574765      0.003608
  C      -7.812007      7.797127      1.213685
  C      -7.405859      9.012676      1.792157
  C      -6.337046      9.041156      2.680157
  C      -5.668418      7.859002      2.996095
  F      -4.650679      7.962332      3.870589
  C      -6.025186      6.622638      2.424395
  C      -5.403856      5.286566      2.695283
  O      -5.756685      4.306465      2.025882
  N      -4.434120      5.244592      3.700530
  C      -4.125900      4.017849      4.053587
  C      -7.100630      6.637601      1.526612
  C     -11.942508      2.687462      0.311008
  C     -10.990499      1.854773      1.132640
  O     -10.884020      0.642449      0.955100
  C     -10.153262      2.538287      2.166125
  C      -9.992266      3.933918      2.206266
  C      -9.130298      4.517491      3.130133
  C      -8.405161      3.695892      3.984315
  F      -7.554668      4.283730      4.861174
  C      -8.553653      2.303206      3.994084
  C      -7.792254      1.395861      4.910920
  O      -8.318570      0.421432      5.438529
  N      -6.426838      1.671005      5.000583
  C      -5.865010      1.745804      6.163612
  C      -9.463237      1.748598      3.093071
  H      -5.881879      3.463621     -0.439768
  H      -4.309877      3.378037     -1.292423
  H      -5.588947      2.149430     -1.596976
  H      -7.267488      1.330768     -0.171837
  H      -8.611120     -0.325481      1.097801
  H      -2.985636     -2.084770      5.549016
  H      -3.852860      0.352899      2.243601
  H     -10.037192      9.545146      0.644169
  H      -8.912399      9.576078     -0.720681
  H     -10.468670      8.691841     -0.870037
  H      -7.927754      9.941962      1.562250
  H      -6.008212      9.969637      3.147406
  H      -4.718263      3.170532      3.620652
  H      -7.397475      5.692123      1.073376
  H     -12.537389      2.030974     -0.332222
  H     -11.383112      3.398626     -0.317519
  H     -12.602822      3.283249      0.958147
  H     -10.519390      4.576914      1.501516
  H      -8.996554      5.597006      3.182340
  H      -6.453547      1.817840      7.094762
  H      -9.622275      0.670129      3.098034
  N      -2.376322      1.594366      3.232178
  H      -2.577277      1.791310      2.210683
88
Coordinates from ORCA-job orca E -6669.252714037131
  N      -2.147668     -0.081848      5.673831
  Mo     -3.047589      1.562030      4.832754
  N      -4.522282      1.791147      6.283876
  C      -3.978064      2.525275      7.433024
  C      -2.485868      2.239473      7.630202
  N      -1.636873      2.280337      6.366815
  C      -0.472626      1.338089      6.499041
  C      -0.986462     -0.100209      6.530339
  C      -1.130793      3.657234      6.034418
  C      -2.288912      4.532590      5.591648
  N      -3.186895      3.650859      4.873841
  H      -0.211207     -0.782460      6.149261
  H      -1.255187     -0.430083      7.546292
  H       0.154000      1.494796      5.612423
  H       0.110021      1.593986      7.396538
  H      -2.804783      5.006382      6.442428
  H      -1.935760      5.344471      4.936581
  H      -0.596976      4.063749      6.906553
  H      -0.417573      3.529235      5.210083
  H      -4.488033      2.208711      8.358789
  H      -4.165248      3.603685      7.315793
  H      -2.378167      1.230963      8.043644
  H      -2.051409      2.949883      8.348718
  C      -5.115834      2.715592     -0.878556
  C      -4.564854      1.926760      0.270488
  O      -3.399965      2.107371      0.654726
  C      -5.446249      0.938148      0.952908
  C      -6.796738      0.717097      0.625636
  C      -7.554835     -0.207233      1.340099
  C      -6.981831     -0.882556      2.417803
  F      -7.742912     -1.730641      3.118424
  C      -5.650005     -0.652637      2.804301
  C      -4.992928     -1.270365      3.978618
  O      -5.243985     -2.363897      4.453738
  N      -3.956422     -0.458847      4.537229
  C      -3.012658     -1.009651      5.297063
  C      -4.906130      0.223143      2.019139
  C      -9.588346      9.059781     -0.191753
  C      -8.959802      7.776131      0.292422
  O      -9.395742      6.681312     -0.057357
  C      -7.787727      7.861529      1.220072
  C      -7.380325      9.061153      1.830119
  C      -6.321878      9.062596      2.730874
  C      -5.665700      7.869007      3.028755
  F      -4.654281      7.944586      3.913774
  C      -6.027263      6.647280      2.430197
  C      -5.412599      5.304348      2.681265
  O      -5.753226      4.339607      1.984229
  N      -4.456931      5.247130      3.698918
  C      -4.147360      4.018377      4.047002
  C      -7.091260      6.689136      1.519473
  C     -11.963740      2.641900      0.325452
  C     -11.013743      1.812305      1.152702
  O     -10.914718      0.597617      0.986720
  C     -10.170046      2.502140      2.177173
  C     -10.008070      3.897756      2.207736
  C      -9.142128      4.486662      3.124853
  C      -8.416900      3.670516      3.983582
  F      -7.567566      4.263021      4.858056
  C      -8.563481      2.277377      4.000156
  C      -7.795804      1.373865      4.914903
  O      -8.312729      0.391435      5.435888
  N      -6.431820      1.657797      5.004792
  C      -5.868846      1.735916      6.166397
  C      -9.475075      1.717473      3.104609
  H      -5.898324      3.390927     -0.497446
  H      -4.318733      3.310352     -1.335656
  H      -5.580093      2.061299     -1.629963
  H      -7.271757      1.271259     -0.184047
  H      -8.606108     -0.377691      1.102674
  H      -2.962378     -2.076753      5.554356
  H      -3.849914      0.331093      2.236317
  H     -10.000095      9.632787      0.653291
  H      -8.839212      9.701522     -0.679576
  H     -10.393069      8.826705     -0.896540
  H      -7.891097      9.999442      1.612235
  H      -5.990151      9.978712      3.219989
  H      -4.735596      3.170614      3.610827
  H      -7.386409      5.757019      1.038990
  H     -12.562681      1.981944     -0.310200
  H     -11.402168      3.344972     -0.310096
  H     -12.621306      3.246392      0.967448
  H     -10.535737      4.536977      1.500518
  H      -9.007107      5.566782      3.169488
  H      -6.455630      1.801914      7.098953
  H      -9.632405      0.638848      3.115023
  N      -2.384717      1.602936      3.229425
  H      -2.589435      1.797136      2.207914
88
Coordinates from ORCA-job orca E -6669.252836760744
  N      -2.151027     -0.077269      5.696644
  Mo     -3.045232      1.560974      4.839331
  N      -4.531385      1.800343      6.274321
  C      -3.996940      2.539457      7.425093
  C      -2.506663      2.253403      7.636446
  N      -1.646400      2.288487      6.380777
  C      -0.482764      1.347710      6.527568
  C      -0.995840     -0.090789      6.561641
  C      -1.138172      3.664053      6.046438
  C      -2.292488      4.536255      5.588332
  N      -3.181318      3.650989      4.863405
  H      -0.217301     -0.773964      6.188925
  H      -1.271491     -0.416478      7.577124
  H       0.150965      1.500592      5.645361
  H       0.092440      1.608412      7.428492
  H      -2.818203      5.012256      6.431771
  H      -1.933552      5.346324      4.934148
  H      -0.613136      4.075247      6.921722
  H      -0.416783      3.532727      5.229737
  H      -4.514894      2.226166      8.347555
  H      -4.183175      3.617412      7.302579
  H      -2.403533      1.246425      8.054769
  H      -2.078044      2.966308      8.356017
  C      -5.106024      2.661558     -0.900126
  C      -4.556858      1.889076      0.260688
  O      -3.399202      2.090366      0.656357
  C      -5.434976      0.901448      0.948480
  C      -6.781151      0.665888      0.613309
  C      -7.536355     -0.259412      1.329684
  C      -6.965147     -0.922279      2.416172
  F      -7.722025     -1.776043      3.114005
  C      -5.638487     -0.676589      2.811137
  C      -4.985268     -1.281745      3.994564
  O      -5.231123     -2.374976      4.472895
  N      -3.953400     -0.463894      4.552208
  C      -3.013365     -1.008287      5.320815
  C      -4.896543      0.200418      2.025157
  C      -9.682833      9.046555     -0.054191
  C      -9.035371      7.767454      0.416997
  O      -9.499236      6.669630      0.115579
  C      -7.810668      7.859989      1.272706
  C      -7.358455      9.067401      1.834158
  C      -6.246505      9.076851      2.668088
  C      -5.582358      7.883516      2.948920
  F      -4.513818      7.967566      3.763646
  C      -5.990407      6.653651      2.399186
  C      -5.373339      5.310556      2.642031
  O      -5.725387      4.345806      1.950869
  N      -4.432092      5.247461      3.671475
  C      -4.131249      4.017578      4.024146
  C      -7.106665      6.687345      1.552912
  C     -11.960489      2.677973      0.293573
  C     -11.003425      1.846793      1.111175
  O     -10.892207      0.635302      0.928567
  C     -10.163452      2.531616      2.141811
  C     -10.004989      3.927253      2.182730
  C      -9.140017      4.510881      3.104116
  C      -8.412950      3.690631      3.956491
  F      -7.563671      4.277963      4.834527
  C      -8.558585      2.297096      3.964973
  C      -7.794448      1.387159      4.874779
  O      -8.312786      0.400532      5.385840
  N      -6.430625      1.669843      4.977944
  C      -5.877717      1.749441      6.143688
  C      -9.468176      1.741580      3.064578
  H      -5.893187      3.337656     -0.529733
  H      -4.309614      3.255271     -1.359776
  H      -5.563394      1.996372     -1.646393
  H      -7.255242      1.208423     -0.204736
  H      -8.583906     -0.442351      1.083263
  H      -2.963706     -2.073376      5.586410
  H      -3.842716      0.318076      2.248684
  H     -10.051833      9.631870      0.802477
  H      -8.957086      9.679779     -0.586371
  H     -10.522383      8.806803     -0.714811
  H      -7.874791     10.005676      1.629782
  H      -5.877105      9.999506      3.116294
  H      -4.717627      3.171212      3.584510
  H      -7.436928      5.748666      1.109330
  H     -12.557085      2.019682     -0.346179
  H     -11.404378      3.389337     -0.337660
  H     -12.620060      3.274118      0.941238
  H     -10.533418      4.571813      1.480964
  H      -9.008051      5.591093      3.156595
  H      -6.471967      1.821403      7.070996
  H      -9.626737      0.663416      3.070032
  N      -2.374782      1.588805      3.238857
  H      -2.578154      1.774275      2.214816
88
Coordinates from ORCA-job orca E -6669.252896891554
  N      -2.145027     -0.074841      5.697142
  Mo     -3.048216      1.559170      4.840811
  N      -4.535590      1.789952      6.273809
  C      -4.006741      2.531013      7.425980
  C      -2.514867      2.252623      7.638484
  N      -1.653781      2.293157      6.383385
  C      -0.485026      1.358510      6.530040
  C      -0.989991     -0.082906      6.562447
  C      -1.152795      3.671767      6.050607
  C      -2.311704      4.537925      5.592478
  N      -3.194732      3.648885      4.864875
  H      -0.207401     -0.761239      6.189123
  H      -1.264171     -0.411405      7.577509
  H       0.148350      1.515712      5.648271
  H       0.088348      1.621526      7.431501
  H      -2.841254      5.009624      6.435957
  H      -1.956788      5.351022      4.939844
  H      -0.630730      4.085104      6.926703
  H      -0.429916      3.545200      5.234426
  H      -4.524123      2.213465      8.347327
  H      -4.198889      3.608064      7.304711
  H      -2.406815      1.245842      8.056276
  H      -2.090597      2.967259      8.358948
  C      -5.103753      2.673035     -0.883687
  C      -4.550966      1.890505      0.268870
  O      -3.388558      2.082005      0.656155
  C      -5.427491      0.900269      0.955140
  C      -6.773723      0.663871      0.620793
  C      -7.525335     -0.268525      1.331958
  C      -6.951097     -0.937335      2.413487
  F      -7.703316     -1.800057      3.105104
  C      -5.625720     -0.687841      2.809805
  C      -4.970967     -1.293724      3.991879
  O      -5.214749     -2.387523      4.469708
  N      -3.944910     -0.471027      4.551876
  C      -3.002747     -1.010348      5.321202
  C      -4.886454      0.195373      2.028056
  C      -9.685023      9.054262     -0.049151
  C      -9.038037      7.773533      0.418239
  O      -9.512714      6.677273      0.128053
  C      -7.805357      7.862828      1.262712
  C      -7.334972      9.072300      1.804459
  C      -6.212690      9.081183      2.624548
  C      -5.557113      7.884741      2.911603
  F      -4.474526      7.967495      3.707904
  C      -5.984796      6.652400      2.382827
  C      -5.376357      5.306805      2.635078
  O      -5.727961      4.340858      1.945254
  N      -4.442458      5.244042      3.670108
  C      -4.142269      4.014209      4.021670
  C      -7.110335      6.686322      1.549465
  C     -11.971945      2.696412      0.304459
  C     -11.005235      1.860669      1.106393
  O     -10.883212      0.653964      0.903788
  C     -10.168621      2.536095      2.145947
  C     -10.021924      3.932092      2.209724
  C      -9.158756      4.507557      3.137802
  C      -8.421549      3.679490      3.973926
  F      -7.572154      4.260439      4.856290
  C      -8.558150      2.284881      3.962198
  C      -7.789857      1.364943      4.857726
  O      -8.302309      0.366060      5.351948
  N      -6.428491      1.655220      4.970989
  C      -5.881241      1.731696      6.139452
  C      -9.465528      1.736902      3.054659
  H      -5.882543      3.353855     -0.503895
  H      -4.306463      3.263083     -1.346934
  H      -5.572057      2.014890     -1.629438
  H      -7.249969      1.208745     -0.194574
  H      -8.572012     -0.454398      1.083785
  H      -2.947336     -2.075244      5.586532
  H      -3.833137      0.316158      2.252719
  H     -10.046229      9.640714      0.810197
  H      -8.961950      9.685600     -0.587105
  H     -10.530549      8.816483     -0.702821
  H      -7.845114     10.012869      1.595186
  H      -5.828133     10.005676      3.055956
  H      -4.724302      3.167590      3.577859
  H      -7.455968      5.745463      1.122224
  H     -12.563602      2.042991     -0.345288
  H     -11.424498      3.423657     -0.316185
  H     -12.635575      3.275551      0.963043
  H     -10.559123      4.584876      1.521916
  H      -9.036186      5.587458      3.207802
  H      -6.478663      1.798997      7.065153
  H      -9.615905      0.657644      3.042939
  N      -2.379612      1.589612      3.239441
  H      -2.586182      1.772468      2.215862
88
Coordinates from ORCA-job orca E -6669.252941145709
  N      -2.138669     -0.067854      5.703571
  Mo     -3.051804      1.558683      4.843502
  N      -4.542532      1.782983      6.270956
  C      -4.022382      2.528775      7.423885
  C      -2.529144      2.260360      7.640882
  N      -1.665169      2.304179      6.387845
  C      -0.490535      1.377569      6.538455
  C      -0.985459     -0.067168      6.571235
  C      -1.172171      3.685283      6.053925
  C      -2.335290      4.543235      5.591711
  N      -3.210533      3.648223      4.861503
  H      -0.197455     -0.740303      6.199981
  H      -1.259356     -0.396664      7.586021
  H       0.143633      1.538076      5.657861
  H       0.079114      1.645488      7.440840
  H      -2.870431      5.011748      6.433411
  H      -1.984185      5.358352      4.939647
  H      -0.654816      4.103327      6.930616
  H      -0.446458      3.561984      5.239754
  H      -4.540688      2.208440      8.343754
  H      -4.221588      3.604343      7.301040
  H      -2.415883      1.255018      8.060762
  H      -2.111311      2.978928      8.361188
  C      -5.101399      2.647194     -0.884022
  C      -4.549681      1.872073      0.273861
  O      -3.389959      2.071326      0.665577
  C      -5.423120      0.879624      0.960890
  C      -6.768504      0.637584      0.627098
  C      -7.515449     -0.298605      1.338203
  C      -6.938068     -0.965707      2.419336
  F      -7.684414     -1.835298      3.108075
  C      -5.614140     -0.708688      2.815870
  C      -4.956133     -1.308868      3.999271
  O      -5.193559     -2.403394      4.478803
  N      -3.935145     -0.478694      4.557536
  C      -2.990046     -1.009849      5.328915
  C      -4.878891      0.176932      2.033468
  C      -9.706422      9.085856      0.007024
  C      -9.062753      7.801259      0.468431
  O      -9.554032      6.708482      0.192683
  C      -7.806307      7.882308      1.277908
  C      -7.300988      9.092089      1.786330
  C      -6.153984      9.095996      2.571776
  C      -5.509793      7.893415      2.858171
  F      -4.397888      7.969066      3.613945
  C      -5.974028      6.660278      2.363729
  C      -5.377668      5.309805      2.620793
  O      -5.728384      4.347017      1.926131
  N      -4.450650      5.243351      3.660990
  C      -4.152588      4.012376      4.010784
  C      -7.122026      6.698768      1.562526
  C     -11.973186      2.713024      0.296815
  C     -11.004394      1.870542      1.089163
  O     -10.886066      0.664963      0.879502
  C     -10.167749      2.537053      2.134795
  C     -10.027836      3.932666      2.217111
  C      -9.167254      4.500089      3.152857
  C      -8.425173      3.664716      3.977502
  F      -7.579298      4.238718      4.867872
  C      -8.554070      2.269521      3.946219
  C      -7.783141      1.339398      4.828065
  O      -8.288242      0.325059      5.297841
  N      -6.425341      1.639144      4.957183
  C      -5.887419      1.717272      6.129358
  C      -9.459511      1.729544      3.031600
  H      -5.883197      3.327898     -0.510267
  H      -4.304463      3.237557     -1.347381
  H      -5.564801      1.983781     -1.628048
  H      -7.247818      1.180595     -0.187693
  H      -8.560616     -0.489479      1.088940
  H      -2.928173     -2.073558      5.597586
  H      -3.826076      0.301458      2.257625
  H     -10.048343      9.677296      0.870904
  H      -8.988628      9.710381     -0.545509
  H     -10.565482      8.852729     -0.630490
  H      -7.803077     10.037152      1.577851
  H      -5.740921     10.020955      2.974916
  H      -4.730521      3.166580      3.562452
  H      -7.496000      5.757270      1.161488
  H     -12.565804      2.065023     -0.357352
  H     -11.427551      3.446220     -0.318318
  H     -12.636110      3.285966      0.961634
  H     -10.569147      4.592936      1.539762
  H      -9.051243      5.579575      3.237900
  H      -6.490359      1.778227      7.051880
  H      -9.602748      0.649675      3.003721
  N      -2.382158      1.588654      3.242114
  H      -2.589884      1.766212      2.217395
88
Coordinates from ORCA-job orca E -6669.252975725194
  N      -2.129839     -0.057773      5.715284
  Mo     -3.057343      1.557041      4.848156
  N      -4.551977      1.775188      6.269099
  C      -4.042460      2.529072      7.421281
  C      -2.547302      2.274536      7.643261
  N      -1.680473      2.320913      6.392425
  C      -0.497771      1.405830      6.549454
  C      -0.978856     -0.043332      6.585655
  C      -1.198919      3.704858      6.054358
  C      -2.368322      4.550501      5.586451
  N      -3.233096      3.646268      4.854250
  H      -0.183555     -0.709856      6.218192
  H      -1.251904     -0.372337      7.600784
  H       0.137043      1.569362      5.669921
  H       0.067084      1.682084      7.452338
  H      -2.910621      5.015374      6.425575
  H      -2.023025      5.367698      4.934062
  H      -0.687235      4.130615      6.930703
  H      -0.470252      3.584947      5.242336
  H      -4.560707      2.206217      8.340324
  H      -4.251400      3.602338      7.294794
  H      -2.426596      1.271918      8.067575
  H      -2.137736      2.999621      8.361766
  C      -5.109768      2.597073     -0.887749
  C      -4.554783      1.834743      0.276571
  O      -3.396520      2.044335      0.667587
  C      -5.420038      0.837823      0.967228
  C      -6.763504      0.583572      0.634653
  C      -7.501820     -0.357584      1.348084
  C      -6.918673     -1.017337      2.430771
  F      -7.655436     -1.895229      3.118201
  C      -5.597563     -0.745578      2.827435
  C      -4.934557     -1.333234      4.014806
  O      -5.161715     -2.427966      4.499127
  N      -3.921683     -0.490787      4.569584
  C      -2.972314     -1.009229      5.344270
  C      -4.869733      0.142859      2.041682
  C      -9.742647      9.130737      0.098889
  C      -9.091638      7.839284      0.530395
  O      -9.606088      6.752161      0.274969
  C      -7.808955      7.907694      1.298820
  C      -7.266693      9.114887      1.773744
  C      -6.090768      9.110690      2.515608
  C      -5.456900      7.901041      2.794063
  F      -4.312157      7.965085      3.500589
  C      -5.961259      6.669685      2.336465
  C      -5.375751      5.313997      2.593418
  O      -5.728089      4.356088      1.892832
  N      -4.460254      5.240632      3.642679
  C      -4.166778      4.008065      3.992092
  C      -7.134942      6.715828      1.574790
  C     -11.959174      2.749156      0.274910
  C     -10.994517      1.895837      1.060362
  O     -10.873701      0.693631      0.834046
  C     -10.159252      2.549506      2.115556
  C     -10.025145      3.943991      2.221086
  C      -9.167835      4.499615      3.167278
  C      -8.422800      3.654066      3.978806
  F      -7.580324      4.217229      4.879445
  C      -8.545347      2.258893      3.923522
  C      -7.774787      1.315148      4.789780
  O      -8.274393      0.284764      5.229168
  N      -6.420693      1.621284      4.939741
  C      -5.895725      1.702450      6.116943
  C      -9.447930      1.730555      2.998888
  H      -5.893636      3.278670     -0.520152
  H      -4.315130      3.186474     -1.356084
  H      -5.570377      1.925171     -1.625758
  H      -7.248223      1.120881     -0.180682
  H      -8.544431     -0.559251      1.097955
  H      -2.900956     -2.070858      5.618778
  H      -3.817921      0.275680      2.265278
  H     -10.054738      9.715943      0.978330
  H      -9.041160      9.757463     -0.471381
  H     -10.623053      8.906227     -0.512080
  H      -7.761513     10.065022      1.571107
  H      -5.646921     10.034115      2.888349
  H      -4.738148      3.162798      3.537554
  H      -7.538852      5.776395      1.199185
  H     -12.546631      2.110516     -0.392726
  H     -11.411101      3.492988     -0.325016
  H     -12.627540      3.310488      0.944361
  H     -10.568333      4.614023      1.555048
  H      -9.057381      5.578204      3.270413
  H      -6.506650      1.758663      7.034389
  H      -9.585035      0.650759      2.951304
  N      -2.387672      1.584132      3.246387
  H      -2.597615      1.752465      2.219706
88
Coordinates from ORCA-job orca E -6669.253011718167
  N      -2.121916     -0.053113      5.721508
  Mo     -3.061086      1.553760      4.851205
  N      -4.555447      1.769016      6.272230
  C      -4.049403      2.528615      7.422010
  C      -2.552287      2.283280      7.642819
  N      -1.686841      2.330340      6.391184
  C      -0.498652      1.422932      6.550575
  C      -0.970779     -0.028961      6.591368
  C      -1.213316      3.715716      6.048125
  C      -2.388011      4.553189      5.579680
  N      -3.248239      3.642840      4.849029
  H      -0.171410     -0.691566      6.225641
  H      -1.241466     -0.356618      7.607579
  H       0.134850      1.587621      5.670334
  H       0.064835      1.705396      7.452386
  H      -2.932464      5.016000      6.418585
  H      -2.048060      5.371451      4.925932
  H      -0.702461      4.146738      6.922395
  H      -0.485443      3.597269      5.235194
  H      -4.564317      2.204375      8.342474
  H      -4.265081      3.600247      7.293230
  H      -2.425509      1.282860      8.070632
  H      -2.146295      3.013259      8.358384
  C      -5.129242      2.560480     -0.887592
  C      -4.565655      1.802737      0.275226
  O      -3.407730      2.021538      0.662647
  C      -5.422381      0.802320      0.971010
  C      -6.764220      0.536928      0.640399
  C      -7.494609     -0.408009      1.356821
  C      -6.905923     -1.059576      2.441437
  F      -7.634714     -1.942830      3.129734
  C      -5.587228     -0.774892      2.837538
  C      -4.919583     -1.352207      4.027670
  O      -5.140287     -2.445857      4.517611
  N      -3.912615     -0.500792      4.579337
  C      -2.959235     -1.010731      5.354623
  C      -4.866282      0.115889      2.048109
  C      -9.760326      9.148500      0.133394
  C      -9.103045      7.853295      0.544489
  O      -9.613320      6.768332      0.272309
  C      -7.815312      7.915645      1.305138
  C      -7.268039      9.119895      1.781011
  C      -6.086237      9.112016      2.513687
  C      -5.452694      7.900254      2.782734
  F      -4.302460      7.958619      3.481057
  C      -5.963536      6.671267      2.325835
  C      -5.378503      5.314210      2.578419
  O      -5.734380      4.358438      1.876636
  N      -4.467750      5.236730      3.631196
  C      -4.177275      4.003378      3.980555
  C      -7.141656      6.721125      1.571891
  C     -11.937880      2.794283      0.259481
  C     -10.971295      1.933917      1.034328
  O     -10.846985      0.734802      0.793491
  C     -10.141660      2.575466      2.101508
  C     -10.011035      3.968646      2.226303
  C      -9.157618      4.513588      3.182231
  C      -8.413460      3.659080      3.984993
  F      -7.573521      4.212195      4.894401
  C      -8.534055      2.264597      3.911828
  C      -7.768383      1.310402      4.770262
  O      -8.270706      0.274622      5.193303
  N      -6.415067      1.613191      4.932567
  C      -5.898368      1.695810      6.113237
  C      -9.432326      1.746491      2.976957
  H      -5.912578      3.241456     -0.517692
  H      -4.338659      3.150843     -1.361547
  H      -5.592339      1.885611     -1.621317
  H      -7.253585      1.068111     -0.176182
  H      -8.535203     -0.620522      1.107264
  H      -2.880798     -2.071035      5.632334
  H      -3.815308      0.256637      2.271102
  H     -10.071676      9.719001      1.022690
  H      -9.064404      9.786870     -0.430613
  H     -10.642081      8.928823     -0.477456
  H      -7.763397     10.071163      1.585338
  H      -5.638237     10.033709      2.885639
  H      -4.744353      3.157922      3.522796
  H      -7.550802      5.784592      1.195017
  H     -12.518420      2.163692     -0.421666
  H     -11.392883      3.552619     -0.324754
  H     -12.612724      3.338693      0.936525
  H     -10.553298      4.646288      1.567212
  H      -9.049544      5.591100      3.299213
  H      -6.514960      1.753143      7.026715
  H      -9.566950      0.667291      2.914400
  N      -2.395329      1.578871      3.247955
  H      -2.608006      1.740198      2.220159
88
Coordinates from ORCA-job orca E -6669.253043325033
  N      -2.114090     -0.053268      5.715731
  Mo     -3.064338      1.551401      4.852064
  N      -4.552961      1.760420      6.281751
  C      -4.043517      2.520452      7.429405
  C      -2.544161      2.280869      7.641366
  N      -1.685218      2.331327      6.385424
  C      -0.493166      1.428226      6.539457
  C      -0.960135     -0.025270      6.581673
  C      -1.217782      3.718268      6.040233
  C      -2.397637      4.552454      5.579694
  N      -3.259347      3.640497      4.852189
  H      -0.159662     -0.685130      6.213349
  H      -1.226318     -0.353881      7.598787
  H       0.136287      1.595536      5.656837
  H       0.072778      1.712456      7.439155
  H      -2.938681      5.012059      6.422583
  H      -2.064067      5.372982      4.925574
  H      -0.702511      4.150032      6.911536
  H      -0.494919      3.602233      5.222490
  H      -4.551270      2.193297      8.352848
  H      -4.264119      3.591323      7.302669
  H      -2.411237      1.280929      8.068444
  H      -2.137413      3.012467      8.354832
  C      -5.161820      2.551492     -0.880809
  C      -4.589295      1.795851      0.279000
  O      -3.433298      2.025591      0.666012
  C      -5.437499      0.789713      0.976805
  C      -6.777769      0.514379      0.648006
  C      -7.500324     -0.435272      1.365867
  C      -6.906065     -1.081183      2.450728
  F      -7.628309     -1.968865      3.139990
  C      -5.588625     -0.787391      2.845017
  C      -4.914611     -1.360976      4.033280
  O      -5.128453     -2.455721      4.523981
  N      -3.908493     -0.505934      4.581178
  C      -2.949426     -1.013410      5.351223
  C      -4.875366      0.108485      2.054210
  C      -9.756888      9.148882      0.108395
  C      -9.095628      7.853075      0.511894
  O      -9.596101      6.768223      0.222026
  C      -7.818828      7.915196      1.290821
  C      -7.284042      9.118094      1.783369
  C      -6.114713      9.110096      2.535779
  C      -5.481540      7.898873      2.808005
  F      -4.346173      7.957480      3.530250
  C      -5.979400      6.670862      2.333713
  C      -5.394776      5.313855      2.588107
  O      -5.755611      4.356820      1.890575
  N      -4.479435      5.236868      3.637641
  C      -4.188447      4.002868      3.984248
  C      -7.144969      6.721219      1.560538
  C     -11.898866      2.828816      0.242601
  C     -10.945987      1.959718      1.024237
  O     -10.827686      0.760025      0.781951
  C     -10.120441      2.593211      2.099589
  C      -9.984640      3.985433      2.230929
  C      -9.134500      4.523004      3.193884
  C      -8.399369      3.662137      3.998049
  F      -7.562177      4.207986      4.914402
  C      -8.525107      2.268608      3.918154
  C      -7.765906      1.308608      4.776407
  O      -8.274818      0.274703      5.195721
  N      -6.411677      1.604698      4.942011
  C      -5.895867      1.689164      6.122974
  C      -9.419639      1.757846      2.975832
  H      -5.948675      3.226678     -0.507700
  H      -4.376730      3.148110     -1.356102
  H      -5.622924      1.875020     -1.614335
  H      -7.271796      1.041469     -0.168410
  H      -8.539490     -0.656471      1.118172
  H      -2.865790     -2.073825      5.626981
  H      -3.825080      0.256490      2.275999
  H     -10.074725      9.710339      1.001017
  H      -9.061321      9.794960     -0.447279
  H     -10.634200      8.930028     -0.509167
  H      -7.779627     10.068721      1.585239
  H      -5.677329     10.031198      2.921473
  H      -4.754334      3.158045      3.524598
  H      -7.544688      5.786536      1.169125
  H     -12.472939      2.205543     -0.450663
  H     -11.344455      3.590332     -0.328419
  H     -12.580475      3.369321      0.916141
  H     -10.519224      4.666788      1.569410
  H      -9.021057      5.599752      3.314821
  H      -6.513580      1.747646      7.035484
  H      -9.557162      0.679423      2.907463
  N      -2.406719      1.581788      3.245975
  H      -2.622543      1.742817      2.218937
88
Coordinates from ORCA-job orca E -6669.253069945623
  N      -2.102473     -0.051068      5.709099
  Mo     -3.068164      1.549484      4.854028
  N      -4.553202      1.746402      6.289049
  C      -4.044677      2.505383      7.437430
  C      -2.542935      2.274819      7.642701
  N      -1.688335      2.334490      6.384119
  C      -0.489514      1.439431      6.532404
  C      -0.946396     -0.017346      6.572086
  C      -1.231439      3.725520      6.041231
  C      -2.418551      4.553105      5.588121
  N      -3.275778      3.638459      4.857896
  H      -0.142428     -0.670967      6.200169
  H      -1.207698     -0.350148      7.589106
  H       0.136367      1.613579      5.648598
  H       0.076836      1.725325      7.431330
  H      -2.960400      5.004515      6.434915
  H      -2.093257      5.379437      4.937213
  H      -0.715254      4.157862      6.911713
  H      -0.511315      3.616621      5.220041
  H      -4.546135      2.171653      8.362003
  H      -4.272764      3.575271      7.315447
  H      -2.402074      1.274475      8.066245
  H      -2.138690      3.007006      8.356979
  C      -5.198656      2.545270     -0.866738
  C      -4.615386      1.791210      0.288970
  O      -3.457866      2.025541      0.668629
  C      -5.452612      0.776158      0.987124
  C      -6.790852      0.488317      0.660749
  C      -7.502133     -0.469986      1.378176
  C      -6.899493     -1.112428      2.460555
  F      -7.611725     -2.008556      3.149159
  C      -5.584018     -0.806511      2.852671
  C      -4.901313     -1.376131      4.037481
  O      -5.103978     -2.473335      4.527371
  N      -3.899098     -0.514025      4.581969
  C      -2.932853     -1.016095      5.346487
  C      -4.881853      0.098610      2.062284
  C      -9.766189      9.143169      0.099689
  C      -9.109033      7.849080      0.515321
  O      -9.614670      6.763113      0.238532
  C      -7.826853      7.914000      1.284706
  C      -7.284629      9.119356      1.762860
  C      -6.111962      9.113497      2.509995
  C      -5.483103      7.902233      2.792306
  F      -4.344276      7.964555      3.508549
  C      -5.987704      6.671601      2.331533
  C      -5.408646      5.313707      2.593946
  O      -5.772450      4.355055      1.900173
  N      -4.494768      5.237529      3.645750
  C      -4.202863      4.002350      3.988226
  C      -7.156122      6.720017      1.562297
  C     -11.852186      2.880056      0.218531
  C     -10.913177      1.998404      1.002900
  O     -10.797415      0.800574      0.750258
  C     -10.098139      2.617267      2.094841
  C      -9.964386      4.007668      2.247281
  C      -9.122208      4.531576      3.224592
  C      -8.392359      3.659519      4.021445
  F      -7.560127      4.192733      4.949703
  C      -8.517003      2.267320      3.920814
  C      -7.760337      1.295446      4.768616
  O      -8.269122      0.254013      5.168966
  N      -6.407622      1.591259      4.944895
  C      -5.895843      1.674575      6.127306
  C      -9.403999      1.769973      2.964665
  H      -5.984153      3.218439     -0.486967
  H      -4.418859      3.144463     -1.347635
  H      -5.664125      1.868505     -1.597161
  H      -7.291988      1.011642     -0.153764
  H      -8.539309     -0.700906      1.131769
  H      -2.840671     -2.076426      5.619897
  H      -3.832976      0.257548      2.283193
  H     -10.073013      9.718161      0.987474
  H      -9.071455      9.777589     -0.470387
  H     -10.649584      8.921137     -0.507963
  H      -7.776477     10.070295      1.557022
  H      -5.668617     10.036649      2.883749
  H      -4.764416      3.158730      3.522167
  H      -7.560311      5.783791      1.179176
  H     -12.417173      2.267833     -0.491954
  H     -11.288329      3.648979     -0.332970
  H     -12.542767      3.411820      0.889889
  H     -10.492665      4.697425      1.589467
  H      -9.008752      5.606511      3.361050
  H      -6.516528      1.730160      7.037878
  H      -9.539779      0.692552      2.879774
  N      -2.419859      1.588121      3.244726
  H      -2.641820      1.749507      2.219503
88
Coordinates from ORCA-job orca E -6669.253146197158
  N      -2.076814     -0.043832      5.696952
  Mo     -3.075153      1.545762      4.857484
  N      -4.553138      1.718276      6.301765
  C      -4.048625      2.477066      7.451407
  C      -2.542066      2.266702      7.644620
  N      -1.695933      2.344380      6.381010
  C      -0.482469      1.467343      6.518547
  C      -0.916756      0.003671      6.554053
  C      -1.261835      3.743565      6.041565
  C      -2.463968      4.555673      5.601488
  N      -3.310728      3.634047      4.866313
  H      -0.105028     -0.636448      6.175468
  H      -1.167844     -0.336969      7.571031
  H       0.135629      1.655441      5.632180
  H       0.084296      1.758078      7.415666
  H      -3.008396      4.990686      6.455167
  H      -2.156079      5.392992      4.956334
  H      -0.745152      4.178848      6.910313
  H      -0.546534      3.648884      5.214345
  H      -4.537774      2.130268      8.377847
  H      -4.293102      3.544355      7.338347
  H      -2.384277      1.266368      8.062056
  H      -2.143895      3.001195      8.359934
  C      -5.274345      2.521001     -0.843389
  C      -4.668122      1.771811      0.304016
  O      -3.511723      2.024685      0.675099
  C      -5.482661      0.741294      1.006607
  C      -6.817095      0.427938      0.687941
  C      -7.504364     -0.545783      1.407736
  C      -6.883011     -1.179380      2.484879
  F      -7.573024     -2.091574      3.174830
  C      -5.571194     -0.848594      2.869407
  C      -4.869241     -1.408723      4.046871
  O      -5.051391     -2.508725      4.538408
  N      -3.876567     -0.530920      4.584538
  C      -2.896393     -1.019920      5.339466
  C      -4.892763      0.072993      2.077074
  C      -9.773892      9.144766      0.075446
  C      -9.124891      7.851148      0.505003
  O      -9.640456      6.765554      0.244803
  C      -7.840490      7.915689      1.270131
  C      -7.286481      9.122708      1.730641
  C      -6.112016      9.116175      2.474874
  C      -5.492833      7.903399      2.772244
  F      -4.351485      7.966808      3.484204
  C      -6.008145      6.671120      2.328027
  C      -5.439653      5.311312      2.602544
  O      -5.807915      4.350952      1.913693
  N      -4.528486      5.236281      3.657879
  C      -4.233162      3.999088      3.991750
  C      -7.178742      6.720030      1.561761
  C     -11.763463      2.989727      0.178823
  C     -10.850051      2.080340      0.961975
  O     -10.741374      0.887306      0.685216
  C     -10.053597      2.666095      2.085857
  C      -9.927007      4.051315      2.285366
  C      -9.101094      4.545387      3.291466
  C      -8.378637      3.650043      4.068742
  F      -7.559270      4.156007      5.023226
  C      -8.496906      2.261411      3.921207
  C      -7.744298      1.264543      4.744438
  O      -8.249620      0.205381      5.100074
  N      -6.395880      1.562015      4.945645
  C      -5.894821      1.643091      6.132187
  C      -9.368770      1.793146      2.937235
  H      -6.061389      3.185418     -0.451369
  H      -4.507494      3.129932     -1.332952
  H      -5.742849      1.841683     -1.569293
  H      -7.334156      0.942217     -0.122379
  H      -8.537731     -0.796212      1.166097
  H      -2.786281     -2.079378      5.609704
  H      -3.846533      0.253522      2.293443
  H     -10.064862      9.737179      0.957058
  H      -9.078517      9.762326     -0.512271
  H     -10.665427      8.921845     -0.519772
  H      -7.769619     10.075370      1.512360
  H      -5.659391     10.040539      2.834233
  H      -4.786233      3.157627      3.514550
  H      -7.591435      5.782623      1.190779
  H     -12.309738      2.402815     -0.566939
  H     -11.183441      3.775777     -0.329917
  H     -12.472039      3.500259      0.848022
  H     -10.447739      4.759358      1.641136
  H      -8.991408      5.615564      3.463924
  H      -6.522883      1.694054      7.037845
  H      -9.498607      0.718637      2.815278
  N      -2.444540      1.599551      3.242251
  H      -2.677647      1.759514      2.219827
88
Coordinates from ORCA-job orca E -6669.252884323952
  N      -2.063202     -0.039173      5.694423
  Mo     -3.080890      1.539131      4.858962
  N      -4.541923      1.709598      6.318529
  C      -4.032295      2.475206      7.461171
  C      -2.521685      2.276707      7.637469
  N      -1.692162      2.356595      6.363641
  C      -0.471930      1.489273      6.491376
  C      -0.894751      0.022447      6.538932
  C      -1.273758      3.757683      6.014911
  C      -2.487158      4.556853      5.582382
  N      -3.331958      3.625418      4.858435
  H      -0.082114     -0.612367      6.154521
  H      -1.132376     -0.315005      7.560183
  H       0.134519      1.677573      5.597004
  H       0.102582      1.788205      7.380635
  H      -3.028806      4.989841      6.438914
  H      -2.191601      5.393870      4.931512
  H      -0.753430      4.201254      6.877263
  H      -0.565445      3.665927      5.181763
  H      -4.509196      2.126097      8.393074
  H      -4.286234      3.539905      7.348575
  H      -2.350525      1.278962      8.055678
  H      -2.119793      3.016411      8.345191
  C      -5.330225      2.432248     -0.851269
  C      -4.711213      1.712516      0.305427
  O      -3.550480      1.973038      0.655077
  C      -5.502035      0.665458      1.009634
  C      -6.831016      0.327327      0.691705
  C      -7.506715     -0.644169      1.424853
  C      -6.881453     -1.245744      2.515810
  F      -7.566088     -2.147463      3.221317
  C      -5.572582     -0.895894      2.895118
  C      -4.866925     -1.429621      4.085031
  O      -5.028047     -2.532285      4.579737
  N      -3.872435     -0.543132      4.606441
  C      -2.879536     -1.022334      5.351547
  C      -4.901752      0.016239      2.086534
  C      -9.805795      9.101806      0.014003
  C      -9.154096      7.805594      0.431698
  O      -9.616948      6.722468      0.079193
  C      -7.904575      7.869433      1.255475
  C      -7.398994      9.071687      1.779194
  C      -6.252628      9.068133      2.566397
  C      -5.612491      7.860996      2.840421
  F      -4.501038      7.920884      3.599572
  C      -6.083557      6.633650      2.339225
  C      -5.486948      5.281046      2.594451
  O      -5.850242      4.321504      1.902870
  N      -4.574276      5.208412      3.646538
  C      -4.265734      3.975576      3.986528
  C      -7.226089      6.679603      1.532306
  C     -11.608244      3.220512      0.142407
  C     -10.741721      2.259402      0.914399
  O     -10.613135      1.087770      0.563885
  C      -9.968892      2.784196      2.083849
  C      -9.844325      4.158249      2.346601
  C      -9.035265      4.608287      3.386259
  C      -8.327201      3.679076      4.135307
  F      -7.515684      4.141457      5.118836
  C      -8.449680      2.298127      3.931753
  C      -7.722513      1.271961      4.737499
  O      -8.246688      0.216072      5.069143
  N      -6.373177      1.547575      4.956860
  C      -5.881963      1.628015      6.148946
  C      -9.305396      1.871515      2.912728
  H      -6.126500      3.090062     -0.466973
  H      -4.574104      3.044531     -1.351823
  H      -5.789853      1.733352     -1.564317
  H      -7.356943      0.827024     -0.121908
  H      -8.535427     -0.917465      1.186030
  H      -2.759420     -2.079287      5.627147
  H      -3.857179      0.209758      2.299447
  H     -10.163492      9.653413      0.896915
  H      -9.091321      9.756505     -0.506318
  H     -10.654582      8.884071     -0.642682
  H      -7.900104     10.018714      1.578488
  H      -5.839195      9.989053      2.977969
  H      -4.812893      3.125988      3.518073
  H      -7.605901      5.745285      1.121525
  H     -12.118174      2.683642     -0.662625
  H     -10.996369      4.030112     -0.285600
  H     -12.348546      3.696776      0.803675
  H     -10.349110      4.895374      1.723605
  H      -8.927707      5.670471      3.605801
  H      -6.513201      1.681540      7.051729
  H      -9.436255      0.804550      2.740910
  N      -2.471606      1.585852      3.235177
  H      -2.721122      1.734591      2.211346
88
Coordinates from ORCA-job orca E -6669.253328503903
  N      -2.034414     -0.031888      5.668019
  Mo     -3.089787      1.537181      4.861092
  N      -4.537683      1.672514      6.335848
  C      -4.030688      2.432493      7.482556
  C      -2.515154      2.256339      7.640799
  N      -1.698793      2.362630      6.359752
  C      -0.462439      1.515198      6.467602
  C      -0.859938      0.040993      6.503628
  C      -1.307351      3.774279      6.021431
  C      -2.538084      4.557697      5.610009
  N      -3.372229      3.622009      4.877711
  H      -0.040140     -0.576884      6.106774
  H      -1.083788     -0.309782      7.523508
  H       0.132430      1.723610      5.569945
  H       0.114763      1.815023      7.354839
  H      -3.080349      4.967648      6.477379
  H      -2.264274      5.409768      4.969310
  H      -0.784994      4.217213      6.882918
  H      -0.606486      3.702636      5.179927
  H      -4.491415      2.065013      8.415640
  H      -4.303012      3.494350      7.386213
  H      -2.323813      1.256909      8.045793
  H      -2.118212      2.994827      8.352571
  C      -5.422731      2.435140     -0.816739
  C      -4.772978      1.708535      0.319499
  O      -3.617562      1.994844      0.666603
  C      -5.540023      0.646157      1.027795
  C      -6.865255      0.284428      0.720346
  C      -7.515531     -0.701440      1.456939
  C      -6.870439     -1.295904      2.540257
  F      -7.534811     -2.207893      3.252148
  C      -5.563164     -0.926595      2.906473
  C      -4.833971     -1.457871      4.082367
  O      -4.977615     -2.562465      4.577629
  N      -3.848748     -0.557627      4.598672
  C      -2.839838     -1.025409      5.329132
  C      -4.918505      0.003190      2.096216
  C      -9.796020      9.078107     -0.073024
  C      -9.165864      7.786454      0.388407
  O      -9.648471      6.699369      0.075743
  C      -7.923803      7.856978      1.222143
  C      -7.407360      9.066184      1.720096
  C      -6.266978      9.066866      2.515668
  C      -5.641688      7.859671      2.823226
  F      -4.534546      7.927793      3.587589
  C      -6.121405      6.626271      2.346278
  C      -5.539195      5.272816      2.625477
  O      -5.910909      4.306412      1.948202
  N      -4.623902      5.208125      3.677765
  C      -4.304979      3.973916      4.005448
  C      -7.260536      6.667467      1.533175
  C     -11.483210      3.356674      0.114047
  C     -10.654762      2.358464      0.881817
  O     -10.545914      1.192042      0.508837
  C      -9.910953      2.836360      2.090013
  C      -9.798916      4.199081      2.411663
  C      -9.013829      4.608689      3.485342
  C      -8.315262      3.652510      4.208037
  F      -7.522890      4.078926      5.222567
  C      -8.427029      2.280164      3.946038
  C      -7.701120      1.226488      4.718512
  O      -8.214954      0.149202      4.993041
  N      -6.358762      1.508868      4.966243
  C      -5.876818      1.584350      6.161534
  C      -9.259649      1.892508      2.893518
  H      -6.222470      3.073646     -0.407420
  H      -4.685572      3.068156     -1.320156
  H      -5.883957      1.741045     -1.533172
  H      -7.409101      0.775596     -0.086702
  H      -8.540852     -0.991068      1.225343
  H      -2.699875     -2.082104      5.596307
  H      -3.876804      0.218195      2.301828
  H     -10.134468      9.671673      0.790067
  H      -9.070837      9.695969     -0.623278
  H     -10.653503      8.853081     -0.715626
  H      -7.893428     10.014774      1.491359
  H      -5.844946      9.992520      2.907562
  H      -4.844397      3.127313      3.525108
  H      -7.646146      5.727300      1.141432
  H     -11.969585      2.855284     -0.728020
  H     -10.849690      4.176337     -0.259572
  H     -12.242773      3.815135      0.765953
  H     -10.293895      4.957852      1.806990
  H      -8.912486      5.661061      3.750079
  H      -6.513799      1.629708      7.060671
  H      -9.380633      0.832975      2.675158
  N      -2.505284      1.609038      3.229886
  H      -2.769685      1.762406      2.211639
88
Coordinates from ORCA-job orca E -6669.253669896803
  N      -2.012662     -0.023341      5.652559
  Mo     -3.096467      1.534608      4.861512
  N      -4.535651      1.648846      6.345400
  C      -4.030558      2.405486      7.494745
  C      -2.512012      2.246179      7.640497
  N      -1.705341      2.371174      6.354819
  C      -0.456474      1.540337      6.450271
  C      -0.833592      0.060885      6.481005
  C      -1.335203      3.789960      6.022940
  C      -2.578560      4.559042      5.622821
  N      -3.400925      3.618323      4.882956
  H      -0.008224     -0.544283      6.075868
  H      -1.046274     -0.297624      7.500646
  H       0.129723      1.761683      5.549920
  H       0.122349      1.843394      7.335402
  H      -3.124431      4.952468      6.495544
  H      -2.319727      5.421269      4.989466
  H      -0.813984      4.234634      6.884253
  H      -0.638145      3.732832      5.177052
  H      -4.479675      2.025214      8.428465
  H      -4.316031      3.464921      7.409514
  H      -2.306037      1.246053      8.036353
  H      -2.118746      2.984178      8.354827
  C      -5.486670      2.411789     -0.792248
  C      -4.817312      1.688117      0.335089
  O      -3.668023      1.997890      0.684018
  C      -5.563320      0.611169      1.043581
  C      -6.882452      0.224978      0.739413
  C      -7.510651     -0.775022      1.476283
  C      -6.851391     -1.359683      2.556695
  F      -7.494486     -2.287925      3.266917
  C      -5.550636     -0.965168      2.919637
  C      -4.806194     -1.486018      4.089770
  O      -4.936836     -2.589290      4.591204
  N      -3.830713     -0.571547      4.599579
  C      -2.809880     -1.026698      5.320499
  C      -4.927086     -0.021274      2.109368
  C      -9.787180      9.090452     -0.102585
  C      -9.173959      7.798020      0.378193
  O      -9.680785      6.713194      0.096651
  C      -7.932551      7.864471      1.212488
  C      -7.400509      9.074102      1.693863
  C      -6.258751      9.070406      2.487069
  C      -5.646253      7.859948      2.808093
  F      -4.535158      7.926030      3.566573
  C      -6.140527      6.626337      2.346935
  C      -5.570932      5.269586      2.636192
  O      -5.945132      4.302853      1.960276
  N      -4.657306      5.204306      3.690292
  C      -4.331466      3.969088      4.008747
  C      -7.282760      6.671740      1.537891
  C     -11.411245      3.435291      0.088726
  C     -10.580665      2.426471      0.840820
  O     -10.466745      1.266961      0.448343
  C      -9.869417      2.876643      2.079211
  C      -9.785079      4.229972      2.446029
  C      -9.025618      4.616744      3.546250
  C      -8.326048      3.648030      4.250839
  F      -7.558592      4.053325      5.292623
  C      -8.414519      2.283078      3.945857
  C      -7.689372      1.215271      4.699951
  O      -8.198778      0.128100      4.942899
  N      -6.349966      1.496533      4.966478
  C      -5.874771      1.567476      6.164038
  C      -9.220323      1.917141      2.865620
  H      -6.292864      3.034162     -0.370926
  H      -4.763882      3.060785     -1.296507
  H      -5.943014      1.716339     -1.510258
  H      -7.438950      0.705196     -0.065635
  H      -8.529913     -1.085021      1.244956
  H      -2.654175     -2.081783      5.585345
  H      -3.889935      0.215119      2.313635
  H     -10.106545      9.708301      0.750858
  H      -9.055636      9.683260     -0.671994
  H     -10.654449      8.867769     -0.732645
  H      -7.874651     10.025931      1.453603
  H      -5.824252      9.995682      2.866191
  H      -4.863244      3.123848      3.519326
  H      -7.678805      5.730713      1.159076
  H     -11.877546      2.951617     -0.775274
  H     -10.785067      4.275745     -0.249528
  H     -12.187890      3.863165      0.741121
  H     -10.280933      4.999569      1.855588
  H      -8.942667      5.661509      3.845082
  H      -6.516502      1.610852      7.059808
  H      -9.321937      0.863524      2.612117
  N      -2.531565      1.618158      3.224449
  H      -2.809803      1.769946      2.210053
88
Coordinates from ORCA-job orca E -6669.253844640913
  N      -1.990597     -0.012637      5.636461
  Mo     -3.105508      1.531791      4.862172
  N      -4.534224      1.622834      6.355876
  C      -4.032486      2.378441      7.506842
  C      -2.510798      2.238805      7.639926
  N      -1.715081      2.382361      6.349024
  C      -0.452924      1.570128      6.431778
  C      -0.807277      0.085179      6.457565
  C      -1.368772      3.808229      6.022719
  C      -2.626076      4.560434      5.634626
  N      -3.435982      3.613371      4.888284
  H       0.024248     -0.505898      6.044189
  H      -1.007870     -0.280926      7.476968
  H       0.123661      1.804814      5.528540
  H       0.127365      1.877564      7.314458
  H      -3.175000      4.936805      6.512892
  H      -2.384331      5.432530      5.008124
  H      -0.848700      4.255938      6.883185
  H      -0.676488      3.766283      5.171972
  H      -4.469297      1.985992      8.441429
  H      -4.332678      3.434556      7.431198
  H      -2.288243      1.239158      8.027719
  H      -2.122134      2.977840      8.355689
  C      -5.559062      2.383238     -0.766447
  C      -4.865488      1.661168      0.347466
  O      -3.721065      1.992880      0.693041
  C      -5.588421      0.570139      1.058340
  C      -6.901982      0.160356      0.760733
  C      -7.507358     -0.851506      1.500551
  C      -6.832634     -1.425038      2.577415
  F      -7.455331     -2.364766      3.290282
  C      -5.537266     -1.007060      2.933523
  C      -4.776847     -1.515568      4.098375
  O      -4.891097     -2.618419      4.604696
  N      -3.811513     -0.586144      4.600804
  C      -2.777911     -1.026931      5.311711
  C      -4.935707     -0.051306      2.120625
  C      -9.783562      9.093659     -0.140895
  C      -9.187611      7.801314      0.360762
  O      -9.707852      6.718737      0.094709
  C      -7.948327      7.864778      1.197863
  C      -7.404244      9.074774      1.665400
  C      -6.262516      9.068397      2.458368
  C      -5.661052      7.855774      2.792305
  F      -4.547479      7.920331      3.547175
  C      -6.167194      6.621900      2.345097
  C      -5.607776      5.262954      2.644097
  O      -5.984665      4.295621      1.970447
  N      -4.697761      5.197996      3.701530
  C      -4.364531      3.962168      4.011271
  C      -7.310302      6.669811      1.537226
  C     -11.315252      3.549912      0.069033
  C     -10.499490      2.518311      0.806397
  O     -10.373520      1.372498      0.379157
  C      -9.817539      2.928909      2.075052
  C      -9.756232      4.268140      2.494428
  C      -9.022207      4.621282      3.623038
  C      -8.325854      3.633674      4.304183
  F      -7.582869      4.007170      5.375287
  C      -8.393543      2.280324      3.946753
  C      -7.671735      1.192476      4.675189
  O      -8.175720      0.093949      4.874447
  N      -6.337333      1.472230      4.966420
  C      -5.872525      1.540824      6.167585
  C      -9.172657      1.947200      2.836985
  H      -6.369860      2.988487     -0.329164
  H      -4.853119      3.048847     -1.273028
  H      -6.013071      1.687303     -1.485241
  H      -7.472880      0.630296     -0.040309
  H      -8.521392     -1.180304      1.273332
  H      -2.604940     -2.079832      5.574585
  H      -3.902753      0.205421      2.321003
  H     -10.093547      9.731024      0.701596
  H      -9.043394      9.665791     -0.720432
  H     -10.654029      8.872712     -0.767074
  H      -7.868471     10.028686      1.414245
  H      -5.818421      9.993469      2.826799
  H      -4.887042      3.118119      3.512188
  H      -7.714355      5.727924      1.169164
  H     -11.753171      3.096242     -0.825727
  H     -10.687352      4.408229     -0.217181
  H     -12.114228      3.946351      0.714287
  H     -10.249458      5.053645      1.922900
  H      -8.955158      5.654854      3.962276
  H      -6.520371      1.580483      7.058965
  H      -9.256476      0.903221      2.540891
  N      -2.561229      1.626987      3.219065
  H      -2.853992      1.775810      2.208238
88
Coordinates from ORCA-job orca E -6669.254054634832
  N      -1.973873      0.000514      5.628229
  Mo     -3.113646      1.530306      4.861201
  N      -4.537075      1.607058      6.359327
  C      -4.039978      2.364679      7.510700
  C      -2.516417      2.241179      7.636991
  N      -1.726949      2.396785      6.343339
  C      -0.453655      1.600802      6.420249
  C      -0.788473      0.111702      6.444825
  C      -1.399859      3.827252      6.019103
  C      -2.667464      4.564107      5.635769
  N      -3.464219      3.610291      4.883003
  H       0.048718     -0.468542      6.027330
  H      -0.980305     -0.258098      7.464592
  H       0.116618      1.844090      5.515188
  H       0.126029      1.914392      7.301218
  H      -3.221623      4.928261      6.515818
  H      -2.437988      5.442872      5.013972
  H      -0.883059      4.279638      6.879129
  H      -0.709587      3.795993      5.166157
  H      -4.468690      1.965027      8.446032
  H      -4.351527      3.417861      7.439280
  H      -2.281568      1.242992      8.021107
  H      -2.132908      2.982644      8.353016
  C      -5.610653      2.343105     -0.747898
  C      -4.899568      1.624882      0.357933
  O      -3.760347      1.975811      0.703036
  C      -5.604993      0.525192      1.073064
  C      -6.913404      0.095372      0.780884
  C      -7.499485     -0.925879      1.523695
  C      -6.811769     -1.489985      2.597812
  F      -7.415076     -2.441627      3.311658
  C      -5.522777     -1.049431      2.949799
  C      -4.750368     -1.543233      4.112296
  O      -4.852505     -2.643020      4.627707
  N      -3.795497     -0.598822      4.606551
  C      -2.752806     -1.024351      5.312308
  C      -4.939940     -0.084230      2.134576
  C      -9.770827      9.150950     -0.123448
  C      -9.191163      7.852549      0.381255
  O      -9.734793      6.777317      0.132267
  C      -7.943505      7.900536      1.205638
  C      -7.374682      9.104634      1.659113
  C      -6.223979      9.084439      2.438356
  C      -5.637964      7.864318      2.772558
  F      -4.512153      7.916595      3.509880
  C      -6.168695      6.635740      2.338821
  C      -5.624796      5.270003      2.636868
  O      -6.003191      4.308677      1.955094
  N      -4.721824      5.196216      3.699526
  C      -4.386934      3.958395      4.000203
  C      -7.320804      6.697473      1.544837
  C     -11.277998      3.575848      0.045904
  C     -10.450477      2.545658      0.772019
  O     -10.301568      1.409625      0.326375
  C      -9.789673      2.942258      2.056747
  C      -9.753616      4.272867      2.505860
  C      -9.040615      4.611575      3.652857
  C      -8.342511      3.618040      4.324183
  F      -7.624411      3.976197      5.417574
  C      -8.384781      2.272563      3.934920
  C      -7.661509      1.176773      4.650170
  O      -8.158039      0.069959      4.821361
  N      -6.331333      1.458102      4.959922
  C      -5.875054      1.528932      6.163321
  C      -9.140094      1.954155      2.805175
  H      -6.425508      2.935749     -0.300925
  H      -4.917521      3.020681     -1.256504
  H      -6.061583      1.645123     -1.466446
  H      -7.495644      0.555385     -0.017793
  H      -8.508752     -1.270479      1.299733
  H      -2.565730     -2.074182      5.577856
  H      -3.911342      0.190623      2.332850
  H     -10.060322      9.800294      0.717342
  H      -9.027301      9.705684     -0.715601
  H     -10.652036      8.940392     -0.738024
  H      -7.826386     10.064472      1.407599
  H      -5.760051     10.004388      2.795060
  H      -4.901175      3.116725      3.490912
  H      -7.742484      5.759666      1.186165
  H     -11.695627      3.131629     -0.863539
  H     -10.666467      4.454140     -0.213530
  H     -12.093598      3.940937      0.688738
  H     -10.251085      5.063197      1.944329
  H      -8.992372      5.638279      4.015504
  H      -6.528385      1.568295      7.050603
  H      -9.203042      0.916140      2.483636
  N      -2.583483      1.628990      3.213767
  H      -2.887360      1.771398      2.205356
88
Coordinates from ORCA-job orca E -6669.254208938798
  N      -1.961476      0.011037      5.620716
  Mo     -3.123171      1.527189      4.859791
  N      -4.538547      1.595922      6.365300
  C      -4.042419      2.356902      7.514603
  C      -2.517137      2.246297      7.631317
  N      -1.736350      2.409744      6.333176
  C      -0.454031      1.627450      6.403831
  C      -0.772849      0.135044      6.430958
  C      -1.426445      3.843381      6.007952
  C      -2.703635      4.566098      5.630180
  N      -3.489861      3.605814      4.873771
  H       0.068010     -0.436959      6.009410
  H      -0.955248     -0.235770      7.452117
  H       0.109015      1.876004      5.495592
  H       0.126944      1.947812      7.281514
  H      -3.260840      4.920540      6.512192
  H      -2.485819      5.449809      5.011277
  H      -0.910772      4.301130      6.865845
  H      -0.739933      3.820087      5.151684
  H      -4.461829      1.952856      8.452287
  H      -4.363018      3.407534      7.445829
  H      -2.271283      1.249956      8.013240
  H      -2.135761      2.990735      8.345379
  C      -5.654792      2.279895     -0.744405
  C      -4.931475      1.574089      0.361569
  O      -3.795662      1.940769      0.702178
  C      -5.621375      0.469376      1.083865
  C      -6.925132      0.021556      0.797489
  C      -7.496467     -1.001913      1.548915
  C      -6.799460     -1.551078      2.624933
  F      -7.389247     -2.505028      3.346903
  C      -5.514934     -1.092585      2.970338
  C      -4.733509     -1.568904      4.133788
  O      -4.824108     -2.664921      4.659403
  N      -3.785964     -0.611348      4.617016
  C      -2.734171     -1.022832      5.316660
  C      -4.946459     -0.125446      2.147499
  C      -9.774815      9.188270     -0.108601
  C      -9.199731      7.884632      0.387710
  O      -9.750685      6.813539      0.136702
  C      -7.952233      7.922346      1.212184
  C      -7.379477      9.121439      1.673984
  C      -6.228943      9.091883      2.452967
  C      -5.646939      7.867451      2.778425
  F      -4.520713      7.911417      3.515718
  C      -6.181428      6.643552      2.335807
  C      -5.641080      5.274070      2.624364
  O      -6.016043      4.319456      1.931210
  N      -4.745061      5.191845      3.691937
  C      -4.407943      3.952630      3.985137
  C      -7.333408      6.714820      1.542575
  C     -11.209256      3.636260      0.017454
  C     -10.376986      2.602903      0.732928
  O     -10.209167      1.477152      0.267964
  C      -9.743775      2.978187      2.038164
  C      -9.728272      4.298476      2.517718
  C      -9.039967      4.617372      3.685714
  C      -8.347292      3.614353      4.348529
  F      -7.654260      3.951844      5.464884
  C      -8.370092      2.278029      3.927725
  C      -7.652353      1.171941      4.632444
  O      -8.149201      0.062227      4.781446
  N      -6.324671      1.447604      4.957909
  C      -5.876144      1.523100      6.163414
  C      -9.099473      1.979199      2.776157
  H      -6.472811      2.866826     -0.295558
  H      -4.971043      2.962120     -1.259456
  H      -6.103095      1.574469     -1.457222
  H      -7.516613      0.470213     -0.000907
  H      -8.502315     -1.359826      1.330770
  H      -2.534914     -2.069325      5.586563
  H      -3.921266      0.163835      2.342370
  H     -10.057755      9.835827      0.735836
  H      -9.030470      9.741507     -0.701206
  H     -10.659377      8.985047     -0.720821
  H      -7.828338     10.084502      1.429801
  H      -5.762004     10.007665      2.816433
  H      -4.914294      3.112597      3.467323
  H      -7.757548      5.780698      1.177291
  H     -11.603902      3.206828     -0.909316
  H     -10.609961      4.531709     -0.209197
  H     -12.042415      3.970873      0.654485
  H     -10.222649      5.096548      1.964135
  H      -9.007126      5.635978      4.072129
  H      -6.534366      1.567643      7.046692
  H      -9.145577      0.948649      2.428587
  N      -2.609352      1.624508      3.207294
  H      -2.925122      1.758384      2.200734
88
Coordinates from ORCA-job orca E -6669.254387447546
  N      -1.950818      0.023778      5.614349
  Mo     -3.134160      1.525327      4.858065
  N      -4.542221      1.586596      6.370076
  C      -4.047913      2.352172      7.516910
  C      -2.521100      2.254783      7.625207
  N      -1.748401      2.425081      6.322854
  C      -0.457083      1.656783      6.388381
  C      -0.759661      0.161255      6.418834
  C      -1.455664      3.861410      5.995718
  C      -2.742104      4.569450      5.622287
  N      -3.517245      3.602218      4.862295
  H       0.085022     -0.402744      5.994089
  H      -0.933092     -0.209768      7.441499
  H       0.099081      1.909954      5.477111
  H       0.124569      1.984685      7.262830
  H      -3.302684      4.915008      6.505585
  H      -2.535674      5.457447      5.005726
  H      -0.941635      4.325265      6.851352
  H      -0.772626      3.845528      5.136453
  H      -4.458667      1.944783      8.456972
  H      -4.377546      3.400057      7.449365
  H      -2.264412      1.260749      8.005971
  H      -2.142460      3.002835      8.336936
  C      -5.701457      2.217223     -0.739431
  C      -4.966295      1.525102      0.367555
  O      -3.834969      1.909105      0.704608
  C      -5.639825      0.415124      1.097099
  C      -6.938070     -0.052092      0.816343
  C      -7.493362     -1.078734      1.575721
  C      -6.786531     -1.612758      2.653142
  F      -7.361071     -2.570693      3.382193
  C      -5.507400     -1.134903      2.992286
  C      -4.716639     -1.593581      4.156192
  O      -4.795308     -2.685608      4.692035
  N      -3.776911     -0.622703      4.628074
  C      -2.716799     -1.019274      5.322819
  C      -4.954658     -0.164603      2.162590
  C      -9.776751      9.246665     -0.072603
  C      -9.208425      7.935727      0.412154
  O      -9.771398      6.870824      0.161219
  C      -7.954649      7.958185      1.226857
  C      -7.369314      9.150027      1.691509
  C      -6.213488      9.106911      2.461795
  C      -5.639144      7.875979      2.776054
  F      -4.506688      7.907352      3.504516
  C      -6.186230      6.658743      2.330010
  C      -5.653838      5.283550      2.607778
  O      -6.026801      4.337516      1.901870
  N      -4.766617      5.189899      3.681345
  C      -4.429297      3.948757      3.966256
  C      -7.342726      6.743720      1.544985
  C     -11.145344      3.668701     -0.017225
  C     -10.313151      2.633994      0.695569
  O     -10.128404      1.515893      0.218439
  C      -9.702510      2.995780      2.015705
  C      -9.704418      4.308171      2.516542
  C      -9.038599      4.612770      3.701725
  C      -8.352343      3.603234      4.361524
  F      -7.683804      3.925139      5.497706
  C      -8.357738      2.274212      3.917524
  C      -7.644906      1.160839      4.615615
  O      -8.141221      0.048663      4.746301
  N      -6.320202      1.432888      4.955914
  C      -5.879287      1.515650      6.163193
  C      -9.063484      1.989821      2.748052
  H      -6.524003      2.797836     -0.290489
  H      -5.027288      2.904485     -1.260377
  H      -6.145105      1.503458     -1.446760
  H      -7.538678      0.384554      0.018060
  H      -8.495183     -1.450852      1.363235
  H      -2.505470     -2.061981      5.598251
  H      -3.933322      0.140085      2.354030
  H     -10.047138      9.892460      0.777326
  H      -9.032935      9.796660     -0.668913
  H     -10.668211      9.053913     -0.678175
  H      -7.812709     10.117931      1.456667
  H      -5.736547     10.016808      2.827057
  H      -4.927060      3.111206      3.438364
  H      -7.775718      5.815035      1.176207
  H     -11.520237      3.248943     -0.956662
  H     -10.554223      4.575205     -0.219537
  H     -11.992872      3.982840      0.611318
  H     -10.195625      5.111304      1.967096
  H      -9.019298      5.625183      4.104962
  H      -6.542089      1.565344      7.042639
  H      -9.094851      0.965191      2.381566
  N      -2.634759      1.619869      3.201050
  H      -2.961043      1.744172      2.196109
88
Coordinates from ORCA-job orca E -6669.254560265502
  N      -1.941097      0.036271      5.607871
  Mo     -3.145083      1.523502      4.856270
  N      -4.546238      1.578075      6.374276
  C      -4.053682      2.348193      7.518653
  C      -2.525568      2.263358      7.618935
  N      -1.760658      2.439979      6.312558
  C      -0.460747      1.685142      6.373067
  C      -0.747549      0.186746      6.406663
  C      -1.484503      3.878669      5.983555
  C      -2.779705      4.572459      5.613985
  N      -3.543743      3.598525      4.850244
  H       0.100649     -0.369615      5.978782
  H      -0.912223     -0.184261      7.430806
  H       0.088683      1.942593      5.458842
  H       0.121517      2.020378      7.244329
  H      -3.343787      4.909526      6.498234
  H      -2.584035      5.464400      4.999709
  H      -0.972232      4.348462      6.837037
  H      -0.804820      3.869844      5.121475
  H      -4.456205      1.937875      8.460996
  H      -4.391797      3.393413      7.452119
  H      -2.258619      1.271650      7.998678
  H      -2.149544      3.014914      8.328349
  C      -5.743979      2.154952     -0.735154
  C      -4.998262      1.476307      0.373309
  O      -3.871496      1.876754      0.707180
  C      -5.656598      0.362131      1.110232
  C      -6.949503     -0.123160      0.835188
  C      -7.489603     -1.152334      1.602395
  C      -6.773539     -1.671948      2.681004
  F      -7.333327     -2.633547      3.416831
  C      -5.499763     -1.175804      3.013944
  C      -4.700397     -1.617235      4.178292
  O      -4.767998     -2.704950      4.724402
  N      -3.768485     -0.633559      4.639082
  C      -2.700678     -1.015542      5.329117
  C      -4.961964     -0.202965      2.177539
  C      -9.779041      9.303839     -0.034201
  C      -9.216759      7.985811      0.438265
  O      -9.791377      6.927029      0.187588
  C      -7.956485      7.993279      1.242350
  C      -7.358857      9.177845      1.709803
  C      -6.197507      9.121415      2.470675
  C      -5.630326      7.884238      2.773081
  F      -4.491414      7.903244      3.491958
  C      -6.189725      6.673696      2.323609
  C      -5.664776      5.293034      2.590010
  O      -6.034770      4.355892      1.870750
  N      -4.786924      5.187813      3.669743
  C      -4.449407      3.944816      3.946362
  C      -7.350971      6.772134      1.547484
  C     -11.084921      3.698171     -0.050682
  C     -10.251595      2.663464      0.659984
  O     -10.049169      1.553053      0.171924
  C      -9.663077      3.012911      1.993837
  C      -9.682485      4.317436      2.514296
  C      -9.038975      4.608377      3.715606
  C      -8.358956      3.592842      4.372905
  F      -7.715029      3.899526      5.527809
  C      -8.346584      2.271276      3.907243
  C      -7.638296      1.151234      4.599191
  O      -8.133903      0.036896      4.712527
  N      -6.316511      1.419630      4.953613
  C      -5.882829      1.509612      6.162430
  C      -9.028847      2.000778      2.721016
  H      -6.570613      2.730201     -0.286679
  H      -5.078549      2.846275     -1.261940
  H      -6.183217      1.433079     -1.436904
  H      -7.558680      0.301918      0.037113
  H      -8.487547     -1.537650      1.395591
  H      -2.477780     -2.054359      5.610185
  H      -3.944421      0.116125      2.365512
  H     -10.037006      9.947177      0.821492
  H      -9.036323      9.851362     -0.634173
  H     -10.677335      9.121345     -0.632823
  H      -7.797231     10.150379      1.484878
  H      -5.710777     10.025413      2.837672
  H      -4.938284      3.109817      3.408316
  H      -7.792619      5.848904      1.175220
  H     -11.440473      3.287123     -1.001558
  H     -10.503194      4.615342     -0.230276
  H     -11.946109      3.992081      0.569100
  H     -10.170842      5.125100      1.968565
  H      -9.033377      5.614595      4.134436
  H      -6.549997      1.564731      7.038130
  H      -9.045224      0.982174      2.336870
  N      -2.659444      1.614647      3.195020
  H      -2.995793      1.729246      2.191723
88
Coordinates from ORCA-job orca E -6669.254725656285
  N      -1.933682      0.047391      5.603126
  Mo     -3.154568      1.522060      4.854512
  N      -4.550358      1.572869      6.377188
  C      -4.059366      2.346926      7.519469
  C      -2.530323      2.272022      7.613223
  N      -1.771807      2.453342      6.303510
  C      -0.464804      1.709831      6.360425
  C      -0.738462      0.209161      6.397412
  C      -1.509637      3.893730      5.972570
  C      -2.811941      4.575103      5.605015
  N      -3.565414      3.595448      4.837119
  H       0.112677     -0.341099      5.967410
  H      -0.896016     -0.161152      7.422952
  H       0.079151      1.970198      5.443686
  H       0.117744      2.051738      7.228906
  H      -3.379882      4.905094      6.489342
  H      -2.624793      5.470219      4.992801
  H      -0.999535      4.368979      6.824363
  H      -0.832359      3.890690      5.108501
  H      -4.455235      1.934574      8.463727
  H      -4.404129      3.389981      7.453426
  H      -2.255183      1.282327      7.992395
  H      -2.156312      3.026543      8.320542
  C      -5.775501      2.086999     -0.740803
  C      -5.023509      1.425423      0.373898
  O      -3.901689      1.841791      0.705745
  C      -5.669704      0.310406      1.120046
  C      -6.958437     -0.189472      0.851374
  C      -7.486464     -1.218225      1.627838
  C      -6.762545     -1.724230      2.707970
  F      -7.309809     -2.687209      3.451657
  C      -5.493143     -1.212864      3.034250
  C      -4.687215     -1.637605      4.199937
  O      -4.745924     -2.720563      4.756497
  N      -3.762123     -0.642704      4.650147
  C      -2.688172     -1.011764      5.336599
  C      -4.967507     -0.240100      2.190136
  C      -9.784485      9.353186      0.007337
  C      -9.222150      8.028954      0.462183
  O      -9.802250      6.974478      0.205899
  C      -7.957136      8.024332      1.257973
  C      -7.353737      9.202425      1.734049
  C      -6.188651      9.135164      2.488159
  C      -5.624115      7.893275      2.775677
  F      -4.481006      7.902291      3.488197
  C      -6.189305      6.688728      2.316860
  C      -5.667334      5.303950      2.569166
  O      -6.029748      4.376434      1.833729
  N      -4.800356      5.187021      3.655840
  C      -4.463339      3.942225      3.924345
  C      -7.353443      6.798215      1.546939
  C     -11.036672      3.724910     -0.078853
  C     -10.198849      2.692454      0.628968
  O      -9.978824      1.589495      0.131501
  C      -9.628809      3.031998      1.973755
  C      -9.663459      4.329478      2.510607
  C      -9.039042      4.608527      3.725251
  C      -8.365025      3.587577      4.380743
  F      -7.744638      3.879823      5.552584
  C      -8.336510      2.273004      3.896418
  C      -7.632899      1.146927      4.583416
  O      -8.129261      0.031616      4.682891
  N      -6.313286      1.410607      4.949843
  C      -5.886441      1.508175      6.160043
  C      -8.998075      2.014878      2.696156
  H      -6.607625      2.658629     -0.297872
  H      -5.116711      2.780135     -1.273566
  H      -6.208015      1.354763     -1.435887
  H      -7.574605      0.224827      0.052911
  H      -8.481645     -1.613897      1.427608
  H      -2.455860     -2.046840      5.623878
  H      -3.952878      0.090469      2.374078
  H     -10.035326      9.988213      0.871374
  H      -9.044781      9.905420     -0.592060
  H     -10.687303      9.178908     -0.586918
  H      -7.790950     10.178302      1.521697
  H      -5.697228     10.034008      2.861498
  H      -4.943257      3.110032      3.375903
  H      -7.798912      5.879972      1.166817
  H     -11.375204      3.320858     -1.039046
  H     -10.466469      4.652726     -0.239249
  H     -11.909593      3.998535      0.533838
  H     -10.150246      5.140740      1.968356
  H      -9.045736      5.609112      4.157301
  H      -6.557930      1.569837      7.031904
  H      -9.001166      1.001769      2.296938
  N      -2.680088      1.608100      3.189767
  H      -3.024581      1.712888      2.187590
88
Coordinates from ORCA-job orca E -6669.254872942120
  N      -1.927431      0.057422      5.598490
  Mo     -3.164215      1.519889      4.852386
  N      -4.554699      1.567879      6.380058
  C      -4.064934      2.345489      7.520401
  C      -2.535098      2.279993      7.607379
  N      -1.783217      2.465652      6.294202
  C      -0.469586      1.733091      6.347628
  C      -0.730790      0.230345      6.388477
  C      -1.534632      3.907485      5.961055
  C      -2.843563      4.576630      5.594688
  N      -3.586520      3.591380      4.822795
  H       0.123145     -0.314194      5.956658
  H      -0.881537     -0.138897      7.415453
  H       0.068957      1.995836      5.428316
  H       0.113330      2.081692      7.213196
  H      -3.415393      4.900186      6.478746
  H      -2.664332      5.474485      4.984226
  H      -1.027032      4.388381      6.811201
  H      -0.859486      3.909869      5.095267
  H      -4.454158      1.931114      8.466512
  H      -4.416004      3.386442      7.455010
  H      -2.252096      1.292280      7.985981
  H      -2.162714      3.037322      8.312545
  C      -5.797164      2.016694     -0.750627
  C      -5.042882      1.373685      0.373475
  O      -3.925513      1.803793      0.703531
  C      -5.680565      0.261239      1.130567
  C      -6.967449     -0.248004      0.870580
  C      -7.485305     -1.275653      1.655675
  C      -6.753283     -1.771495      2.735426
  F      -7.288788     -2.736197      3.485898
  C      -5.487007     -1.248105      3.054424
  C      -4.675512     -1.657335      4.221483
  O      -4.726579     -2.735367      4.788350
  N      -3.756801     -0.652049      4.661266
  C      -2.677075     -1.008571      5.344376
  C      -4.971363     -0.277000      2.202341
  C      -9.793102      9.400014      0.052612
  C      -9.226981      8.069606      0.484467
  O      -9.808474      7.018702      0.216810
  C      -7.957980      8.053463      1.272879
  C      -7.351753      9.224823      1.761454
  C      -6.184038      9.147165      2.510431
  C      -5.620694      7.901007      2.781123
  F      -4.474699      7.900150      3.489219
  C      -6.188960      6.702757      2.309307
  C      -5.668703      5.314338      2.546091
  O      -6.023196      4.397236      1.793906
  N      -4.812759      5.185049      3.639690
  C      -4.476164      3.938676      3.900464
  C      -7.354589      6.822845      1.543663
  C     -10.994875      3.747152     -0.104810
  C     -10.148498      2.720188      0.599825
  O      -9.909384      1.624745      0.094276
  C      -9.594225      3.052758      1.953355
  C      -9.640795      4.344510      2.502803
  C      -9.033968      4.613324      3.729162
  C      -8.368317      3.587131      4.385404
  F      -7.771918      3.865747      5.573504
  C      -8.325740      2.278721      3.885582
  C      -7.629280      1.146752      4.570289
  O      -8.129760      0.032561      4.660038
  N      -6.310832      1.402934      4.946675
  C      -5.890196      1.507477      6.158087
  C      -8.967461      2.031602      2.672652
  H      -6.635184      2.586829     -0.317098
  H      -5.142515      2.709156     -1.289384
  H      -6.222171      1.273116     -1.438222
  H      -7.590380      0.158878      0.073419
  H      -8.479185     -1.678451      1.463374
  H      -2.435909     -2.039796      5.638221
  H      -3.958265      0.061323      2.380798
  H     -10.039707     10.021710      0.927556
  H      -9.057839      9.962249     -0.542942
  H     -10.699270      9.233519     -0.538798
  H      -7.789253     10.203565      1.563353
  H      -5.690127     10.040774      2.892912
  H      -4.946578      3.109095      3.341627
  H      -7.802197      5.909873      1.153160
  H     -11.316741      3.348509     -1.073110
  H     -10.439859      4.686857     -0.248010
  H     -11.879041      3.997931      0.501646
  H     -10.124928      5.158809      1.962301
  H      -9.051168      5.609108      4.171744
  H      -6.565684      1.576465      7.026221
  H      -8.958668      1.023385      2.260788
  N      -2.699947      1.599811      3.184392
  H      -3.051680      1.693956      2.183096
88
Coordinates from ORCA-job orca E -6669.255016184614
  N      -1.922610      0.065666      5.595827
  Mo     -3.171882      1.517894      4.850467
  N      -4.558782      1.564491      6.382298
  C      -4.070623      2.343017      7.522757
  C      -2.540320      2.284601      7.604430
  N      -1.793895      2.475370      6.288656
  C      -0.474899      1.752462      6.339656
  C      -0.725772      0.247999      6.383455
  C      -1.557402      3.918733      5.954979
  C      -2.871478      4.576571      5.587030
  N      -3.602882      3.587221      4.808809
  H       0.131047     -0.291244      5.950640
  H      -0.871528     -0.120902      7.411284
  H       0.059705      2.017368      5.418618
  H       0.107781      2.106541      7.203150
  H      -3.448638      4.893595      6.469823
  H      -2.698129      5.477361      4.979325
  H      -1.054341      4.404627      6.805004
  H      -0.882285      3.926990      5.089161
  H      -4.454860      1.925595      8.469514
  H      -4.426372      3.382434      7.459207
  H      -2.251200      1.298034      7.981441
  H      -2.169082      3.043181      8.308854
  C      -5.804253      1.943555     -0.773552
  C      -5.053518      1.323672      0.365813
  O      -3.939321      1.764715      0.692976
  C      -5.686859      0.218485      1.136781
  C      -6.975000     -0.293144      0.887897
  C      -7.487016     -1.316499      1.682510
  C      -6.747133     -1.806087      2.760115
  F      -7.273589     -2.770775      3.517671
  C      -5.481229     -1.276888      3.070424
  C      -4.666644     -1.673014      4.239953
  O      -4.711785     -2.746891      4.815288
  N      -3.752744     -0.659770      4.670879
  C      -2.668497     -1.005782      5.351965
  C      -4.971381     -0.310699      2.209125
  C      -9.803192      9.432697      0.093477
  C      -9.226427      8.097914      0.497270
  O      -9.800981      7.048471      0.209620
  C      -7.955779      8.074186      1.282063
  C      -7.353978      9.239979      1.788496
  C      -6.186128      9.155532      2.536624
  C      -5.619593      7.907159      2.789462
  F      -4.473779      7.899553      3.498077
  C      -6.183879      6.714165      2.299455
  C      -5.661244      5.323942      2.520874
  O      -6.003575      4.416541      1.751616
  N      -4.818028      5.183763      3.622443
  C      -4.482034      3.936413      3.875824
  C      -7.348294      6.841245      1.533733
  C     -10.980563      3.765227     -0.114884
  C     -10.106584      2.753618      0.576807
  O      -9.835659      1.672090      0.056924
  C      -9.563987      3.080425      1.936846
  C      -9.622252      4.365972      2.499353
  C      -9.028524      4.624756      3.734808
  C      -8.369941      3.593070      4.390351
  F      -7.796315      3.856521      5.593652
  C      -8.313142      2.291599      3.874499
  C      -7.624176      1.153088      4.556179
  O      -8.131137      0.041357      4.638393
  N      -6.306098      1.400173      4.940527
  C      -5.893026      1.509799      6.154200
  C      -8.937098      2.055981      2.650458
  H      -6.649377      2.515541     -0.356686
  H      -5.150154      2.631059     -1.319336
  H      -6.220020      1.185614     -1.451100
  H      -7.603544      0.110919      0.093532
  H      -8.482518     -1.720606      1.501028
  H      -2.420581     -2.033506      5.652494
  H      -3.957309      0.029124      2.379713
  H     -10.053234     10.033791      0.981765
  H      -9.074027     10.013401     -0.491696
  H     -10.709192      9.271186     -0.499606
  H      -7.795622     10.219791      1.605453
  H      -5.695325     10.045050      2.932335
  H      -4.941901      3.109625      3.305581
  H      -7.792717      5.932896      1.128770
  H     -11.285227      3.372464     -1.091255
  H     -10.456879      4.725237     -0.239830
  H     -11.875520      3.975712      0.491296
  H     -10.106609      5.182803      1.962443
  H      -9.055458      5.615731      4.187591
  H      -6.573607      1.585663      7.017717
  H      -8.915334      1.053412      2.224968
  N      -2.713922      1.590981      3.180314
  H      -3.070022      1.673906      2.178578
88
Coordinates from ORCA-job orca E -6669.255118878767
  N      -1.918711      0.073775      5.588974
  Mo     -3.183605      1.515368      4.848563
  N      -4.563476      1.555750      6.388297
  C      -4.075321      2.332541      7.530071
  C      -2.544511      2.284202      7.602263
  N      -1.807702      2.484402      6.282412
  C      -0.482050      1.773657      6.326070
  C      -0.719777      0.266803      6.371072
  C      -1.587246      3.930398      5.950499
  C      -2.908410      4.574589      5.583814
  N      -3.627117      3.581067      4.798559
  H       0.139686     -0.264719      5.933882
  H      -0.856854     -0.103657      7.399521
  H       0.045552      2.043169      5.402307
  H       0.102185      2.132789      7.186425
  H      -3.490214      4.882115      6.466802
  H      -2.743933      5.479769      4.980286
  H      -1.088785      4.420973      6.800553
  H      -0.913333      3.947518      5.083847
  H      -4.451462      1.908597      8.477143
  H      -4.437960      3.369858      7.472419
  H      -2.246443      1.298557      7.974611
  H      -2.173868      3.043074      8.306693
  C      -5.790954      1.869292     -0.799884
  C      -5.048042      1.271209      0.355840
  O      -3.937956      1.721929      0.684419
  C      -5.682488      0.176097      1.139632
  C      -6.973871     -0.332013      0.900432
  C      -7.486582     -1.346957      1.705327
  C      -6.742604     -1.832437      2.782205
  F      -7.265319     -2.794417      3.546136
  C      -5.474574     -1.303778      3.084536
  C      -4.658661     -1.689128      4.256964
  O      -4.700169     -2.758486      4.841005
  N      -3.749584     -0.668378      4.679440
  C      -2.658970     -1.003263      5.356074
  C      -4.964447     -0.346496      2.213461
  C      -9.813715      9.468603      0.129171
  C      -9.232527      8.128902      0.510124
  O      -9.804781      7.082752      0.206171
  C      -7.958809      8.095095      1.289051
  C      -7.355072      9.254527      1.807027
  C      -6.185530      9.161342      2.551620
  C      -5.620690      7.909532      2.790424
  F      -4.472570      7.892922      3.495407
  C      -6.187723      6.722444      2.289240
  C      -5.666820      5.329513      2.498202
  O      -6.000772      4.431433      1.714665
  N      -4.836364      5.178308      3.608223
  C      -4.498751      3.930651      3.855922
  C      -7.352164      6.858368      1.525508
  C     -10.968957      3.781494     -0.116969
  C     -10.066240      2.787438      0.561649
  O      -9.761930      1.721646      0.027316
  C      -9.533604      3.109748      1.926896
  C      -9.595981      4.391386      2.497477
  C      -9.013067      4.641191      3.740277
  C      -8.365952      3.603392      4.397738
  F      -7.809991      3.853655      5.612673
  C      -8.302731      2.306600      3.871428
  C      -7.623384      1.161952      4.552206
  O      -8.139437      0.054493      4.630765
  N      -6.304358      1.398256      4.940850
  C      -5.896646      1.507276      6.156703
  C      -8.912014      2.080976      2.638527
  H      -6.644744      2.441708     -0.401998
  H      -5.135392      2.552303     -1.349511
  H      -6.195116      1.097923     -1.469393
  H      -7.604410      0.071629      0.107250
  H      -8.485364     -1.747628      1.533742
  H      -2.401988     -2.027380      5.661342
  H      -3.947799     -0.010356      2.376846
  H     -10.064125     10.053097      1.028405
  H      -9.088264     10.062159     -0.447560
  H     -10.720405      9.313961     -0.464749
  H      -7.796747     10.236423      1.635600
  H      -5.692624     10.046222      2.954967
  H      -4.946780      3.105469      3.275021
  H      -7.798429      5.955361      1.110659
  H     -11.255642      3.395537     -1.101547
  H     -10.479321      4.761488     -0.223036
  H     -11.873897      3.948222      0.488341
  H     -10.074804      5.211757      1.960873
  H      -9.043404      5.629290      4.199058
  H      -6.580765      1.586143      7.017044
  H      -8.882392      1.082752      2.203340
  N      -2.734418      1.584067      3.175720
  H      -3.095940      1.655700      2.174067
88
Coordinates from ORCA-job orca E -6669.255208376067
  N      -1.916446      0.081868      5.586072
  Mo     -3.190116      1.518948      4.849251
  N      -4.565693      1.548513      6.395424
  C      -4.080637      2.316706      7.544453
  C      -2.549784      2.275149      7.612296
  N      -1.818916      2.488742      6.291026
  C      -0.489151      1.787123      6.327427
  C      -0.717411      0.278786      6.366309
  C      -1.610695      3.938365      5.967625
  C      -2.935557      4.572618      5.598900
  N      -3.642051      3.580391      4.801435
  H       0.144750     -0.244157      5.924182
  H      -0.849013     -0.098691      7.392800
  H       0.034392      2.064277      5.403652
  H       0.095731      2.145588      7.187637
  H      -3.523465      4.868501      6.481729
  H      -2.776468      5.483837      5.003138
  H      -1.120517      4.429786      6.821967
  H      -0.933518      3.966659      5.103825
  H      -4.453572      1.882470      8.488010
  H      -4.447904      3.352804      7.496362
  H      -2.245860      1.288496      7.976905
  H      -2.180131      3.030521      8.321014
  C      -5.787301      1.822192     -0.840538
  C      -5.057122      1.261075      0.340886
  O      -3.952469      1.724660      0.669082
  C      -5.688040      0.172414      1.135771
  C      -6.982994     -0.331063      0.906036
  C      -7.494896     -1.341765      1.716094
  C      -6.743477     -1.829753      2.786358
  F      -7.260245     -2.794827      3.550816
  C      -5.473210     -1.303121      3.082696
  C      -4.656272     -1.687731      4.255884
  O      -4.693221     -2.758668      4.837377
  N      -3.747862     -0.666412      4.677223
  C      -2.654464     -0.997818      5.352728
  C      -4.964026     -0.349203      2.206569
  C      -9.811822      9.480034      0.138557
  C      -9.225632      8.139752      0.509834
  O      -9.794550      7.093645      0.199329
  C      -7.949148      8.104550      1.284207
  C      -7.343031      9.262887      1.801184
  C      -6.171621      9.168656      2.543185
  C      -5.608512      7.915974      2.781052
  F      -4.458703      7.897013      3.483671
  C      -6.178783      6.729991      2.281370
  C      -5.660649      5.336471      2.490653
  O      -5.986768      4.440710      1.702267
  N      -4.842312      5.182024      3.609809
  C      -4.504280      3.935076      3.853951
  C      -7.343374      6.866735      1.518573
  C     -11.002046      3.768073     -0.090690
  C     -10.054161      2.800079      0.562358
  O      -9.719804      1.751822      0.011472
  C      -9.515981      3.122101      1.925361
  C      -9.574776      4.401909      2.499849
  C      -8.988226      4.646930      3.741981
  C      -8.347251      3.604806      4.399002
  F      -7.797637      3.846845      5.618762
  C      -8.285234      2.310199      3.866954
  C      -7.611237      1.160821      4.544952
  O      -8.132452      0.055991      4.620747
  N      -6.293469      1.394739      4.938854
  C      -5.896115      1.495303      6.160366
  C      -8.893468      2.090688      2.632441
  H      -6.663066      2.382422     -0.474420
  H      -5.133944      2.507337     -1.389914
  H      -6.160406      1.028548     -1.502494
  H      -7.615206      0.076299      0.115976
  H      -8.497077     -1.738373      1.554305
  H      -2.393830     -2.021066      5.657962
  H      -3.944052     -0.017751      2.361619
  H     -10.064912     10.054650      1.043379
  H      -9.089964     10.082512     -0.433110
  H     -10.717901      9.326028     -0.456495
  H      -7.784553     10.245045      1.630874
  H      -5.676581     10.053083      2.944790
  H      -4.943708      3.112385      3.263157
  H      -7.791319      5.965112      1.102530
  H     -11.283745      3.386268     -1.078177
  H     -10.555838      4.769430     -0.188215
  H     -11.906413      3.884311      0.527610
  H     -10.053760      5.224093      1.966344
  H      -9.015311      5.634488      4.202681
  H      -6.586465      1.566741      7.016263
  H      -8.860944      1.095184      2.191034
  N      -2.738099      1.590110      3.177008
  H      -3.095161      1.655552      2.172260
88
Coordinates from ORCA-job orca E -6669.255332569744
  N      -1.914635      0.085162      5.571029
  Mo     -3.201121      1.520646      4.849631
  N      -4.564336      1.534698      6.410424
  C      -4.075382      2.287614      7.567750
  C      -2.544543      2.253905      7.621006
  N      -1.828439      2.487070      6.295395
  C      -0.493094      1.796043      6.313317
  C      -0.709729      0.285149      6.341634
  C      -1.636448      3.942012      5.985635
  C      -2.968435      4.565848      5.624615
  N      -3.663127      3.577346      4.811867
  H       0.152339     -0.226993      5.886737
  H      -0.828195     -0.102568      7.365875
  H       0.019893      2.084964      5.387245
  H       0.097469      2.151528      7.170940
  H      -3.559623      4.843159      6.511254
  H      -2.819667      5.486862      5.041368
  H      -1.150366      4.430963      6.843696
  H      -0.960921      3.985926      5.121153
  H      -4.438242      1.837425      8.507758
  H      -4.448575      3.322339      7.538161
  H      -2.231772      1.264949      7.971544
  H      -2.171712      3.002992      8.334725
  C      -5.745544      1.784121     -0.876927
  C      -5.028078      1.236710      0.318425
  O      -3.924097      1.699833      0.650319
  C      -5.670303      0.162079      1.122576
  C      -6.972878     -0.324300      0.898699
  C      -7.497804     -1.321347      1.716847
  C      -6.750335     -1.812529      2.788378
  F      -7.279089     -2.764075      3.561298
  C      -5.472608     -1.301617      3.079408
  C      -4.659523     -1.686720      4.255642
  O      -4.696712     -2.757606      4.836934
  N      -3.749251     -0.666271      4.673604
  C      -2.649880     -0.995482      5.341291
  C      -4.950670     -0.361978      2.194948
  C      -9.803861      9.479866      0.111845
  C      -9.217523      8.140665      0.486318
  O      -9.779730      7.093297      0.167721
  C      -7.946803      8.107194      1.270243
  C      -7.347515      9.265150      1.795904
  C      -6.182241      9.170950      2.547732
  C      -5.618529      7.918690      2.786355
  F      -4.475940      7.899098      3.500848
  C      -6.181221      6.733549      2.277038
  C      -5.662351      5.340721      2.486218
  O      -5.973264      4.447938      1.688804
  N      -4.859149      5.183673      3.617132
  C      -4.517979      3.937092      3.857338
  C      -7.339532      6.870212      1.504845
  C     -11.037414      3.764178     -0.055816
  C     -10.065259      2.811003      0.583212
  O      -9.714393      1.772840      0.023546
  C      -9.517606      3.137681      1.941175
  C      -9.567456      4.419703      2.511345
  C      -8.969821      4.667078      3.747577
  C      -8.330766      3.624030      4.405326
  F      -7.773658      3.866868      5.621261
  C      -8.278970      2.327188      3.878382
  C      -7.607413      1.176922      4.557556
  O      -8.134601      0.075436      4.639663
  N      -6.287398      1.407295      4.949019
  C      -5.893483      1.491399      6.174145
  C      -8.894559      2.106186      2.647996
  H      -6.632581      2.338094     -0.529760
  H      -5.089510      2.469520     -1.422753
  H      -6.102288      0.981468     -1.537374
  H      -7.599271      0.088817      0.106964
  H      -8.506200     -1.704451      1.561316
  H      -2.383429     -2.018411      5.642683
  H      -3.925121     -0.044806      2.344961
  H     -10.065160     10.051462      1.016232
  H      -9.079336     10.085486     -0.453070
  H     -10.704726      9.324415     -0.490638
  H      -7.789816     10.246849      1.625003
  H      -5.692882     10.055218      2.956547
  H      -4.946877      3.117168      3.255298
  H      -7.781871      5.969908      1.080725
  H     -11.315676      3.385878     -1.045771
  H     -10.617792      4.777376     -0.147296
  H     -11.940594      3.848783      0.569382
  H     -10.047218      5.241092      1.977241
  H      -8.986405      5.657485      4.202885
  H      -6.586939      1.554843      7.027968
  H      -8.866871      1.109485      2.209068
  N      -2.755150      1.600289      3.176227
  H      -3.111353      1.663790      2.170679
88
Coordinates from ORCA-job orca E -6669.255523637776
  N      -1.908439      0.095982      5.546364
  Mo     -3.220457      1.524274      4.852233
  N      -4.562625      1.507700      6.434483
  C      -4.071781      2.241763      7.602569
  C      -2.540845      2.227033      7.634295
  N      -1.848181      2.490290      6.302112
  C      -0.502076      1.819835      6.290934
  C      -0.694964      0.304728      6.301540
  C      -1.685203      3.952994      6.012027
  C      -3.030490      4.557239      5.665048
  N      -3.706026      3.572349      4.830866
  H       0.167855     -0.187763      5.826691
  H      -0.791306     -0.098687      7.322023
  H      -0.007247      2.128917      5.361513
  H       0.096303      2.172563      7.144361
  H      -3.625714      4.804292      6.557808
  H      -2.901374      5.492749      5.100482
  H      -1.204451      4.439381      6.874505
  H      -1.014655      4.021843      5.145236
  H      -4.417785      1.767874      8.537290
  H      -4.458329      3.272047      7.599069
  H      -2.210592      1.237031      7.965312
  H      -2.166462      2.969657      8.353946
  C      -5.731359      1.752119     -0.903079
  C      -5.025077      1.228790      0.309462
  O      -3.927760      1.703256      0.647508
  C      -5.667470      0.158889      1.119956
  C      -6.973223     -0.321944      0.902012
  C      -7.498494     -1.316632      1.722601
  C      -6.747471     -1.811463      2.790162
  F      -7.274347     -2.763898      3.563255
  C      -5.467260     -1.304342      3.076511
  C      -4.650854     -1.690616      4.250635
  O      -4.683803     -2.762155      4.830676
  N      -3.744113     -0.667088      4.666434
  C      -2.635778     -0.989000      5.322912
  C      -4.944698     -0.366980      2.189309
  C      -9.787068      9.501221      0.083234
  C      -9.214126      8.160370      0.471809
  O      -9.786882      7.115097      0.165010
  C      -7.942253      8.121872      1.253368
  C      -7.328081      9.278232      1.765335
  C      -6.161538      9.178183      2.514612
  C      -5.611630      7.921982      2.764558
  F      -4.466584      7.895472      3.475078
  C      -6.189029      6.738698      2.268548
  C      -5.683726      5.342855      2.486673
  O      -5.989032      4.451257      1.686257
  N      -4.898898      5.183132      3.631791
  C      -4.550707      3.937202      3.865208
  C      -7.347858      6.880692      1.498183
  C     -11.043705      3.762933     -0.028362
  C     -10.059822      2.816269      0.602729
  O      -9.705267      1.780845      0.040612
  C      -9.504184      3.145204      1.957066
  C      -9.543052      4.428579      2.524773
  C      -8.938864      4.674168      3.758220
  C      -8.305412      3.628111      4.416603
  F      -7.745111      3.869476      5.631106
  C      -8.263059      2.330044      3.891007
  C      -7.594868      1.176580      4.567842
  O      -8.125530      0.076901      4.648844
  N      -6.275627      1.405217      4.966246
  C      -5.889885      1.466498      6.196594
  C      -8.883948      2.111436      2.662898
  H      -6.641208      2.282733     -0.580109
  H      -5.081593      2.450054     -1.440267
  H      -6.052392      0.935297     -1.565081
  H      -7.600294      0.095521      0.113180
  H      -8.508852     -1.696120      1.571808
  H      -2.356554     -2.010618      5.617249
  H      -3.916818     -0.053647      2.334072
  H     -10.039468     10.084760      0.982586
  H      -9.057954     10.093226     -0.490154
  H     -10.691069      9.348623     -0.515240
  H      -7.759557     10.263185      1.585606
  H      -5.660637     10.061056      2.912333
  H      -4.962657      3.121457      3.246961
  H      -7.801422      5.982033      1.082748
  H     -11.317499      3.389262     -1.021488
  H     -10.641914      4.783670     -0.112959
  H     -11.947594      3.823842      0.598840
  H     -10.019787      5.251258      1.989962
  H      -8.945074      5.666071      4.210723
  H      -6.588897      1.515070      7.046604
  H      -8.860012      1.114734      2.223856
  N      -2.785784      1.620096      3.176577
  H      -3.141598      1.680402      2.170729
88
Coordinates from ORCA-job orca E -6669.255720129247
  N      -1.903637      0.107371      5.523682
  Mo     -3.239552      1.527707      4.854569
  N      -4.560707      1.483900      6.457145
  C      -4.067565      2.199180      7.635321
  C      -2.537033      2.202700      7.646224
  N      -1.867886      2.494037      6.308119
  C      -0.512024      1.843952      6.268929
  C      -0.681895      0.325384      6.263137
  C      -1.733057      3.963331      6.036415
  C      -3.090662      4.547970      5.701167
  N      -3.746716      3.567037      4.845939
  H       0.180810     -0.148154      5.769109
  H      -0.756063     -0.092120      7.279797
  H      -0.035651      2.171719      5.336304
  H       0.094233      2.194869      7.117614
  H      -3.690233      4.765640      6.598508
  H      -2.980137      5.496594      5.154822
  H      -1.258094      4.447740      6.903166
  H      -1.067192      4.055804      5.168156
  H      -4.397129      1.702701      8.564267
  H      -4.466343      3.224594      7.657246
  H      -2.190273      1.212255      7.958614
  H      -2.160577      2.939286      8.370996
  C      -5.714155      1.716284     -0.929109
  C      -5.019228      1.215351      0.299245
  O      -3.928374      1.700412      0.643289
  C      -5.663182      0.151602      1.116757
  C      -6.971856     -0.323824      0.903841
  C      -7.498785     -1.314555      1.727999
  C      -6.745770     -1.811266      2.793503
  F      -7.272264     -2.762570      3.568267
  C      -5.463279     -1.307888      3.075711
  C      -4.644966     -1.693846      4.249143
  O      -4.674821     -2.765258      4.829362
  N      -3.741010     -0.667542      4.661669
  C      -2.624396     -0.982222      5.307558
  C      -4.938786     -0.374469      2.184896
  C      -9.771358      9.523026      0.061935
  C      -9.209874      8.180597      0.461212
  O      -9.792309      7.137638      0.164689
  C      -7.936556      8.136942      1.239901
  C      -7.309522      9.291047      1.741402
  C      -6.141599      9.185022      2.487848
  C      -5.603406      7.925332      2.745632
  F      -4.455896      7.891750      3.452047
  C      -6.193527      6.744528      2.259670
  C      -5.699768      5.346017      2.483704
  O      -5.997965      4.456742      1.678496
  N      -4.933727      5.182407      3.642445
  C      -4.579386      3.937075      3.869036
  C      -7.352929      6.892059      1.491373
  C     -11.053232      3.760009     -0.002669
  C     -10.055797      2.821689      0.619803
  O      -9.695722      1.789984      0.054554
  C      -9.492953      3.153168      1.970735
  C      -9.524430      4.437296      2.536921
  C      -8.913782      4.682020      3.767431
  C      -8.282450      3.634308      4.425343
  F      -7.718741      3.874928      5.638118
  C      -8.246510      2.335485      3.900514
  C      -7.580854      1.179567      4.575320
  O      -8.114607      0.081521      4.655628
  N      -6.262400      1.406580      4.981042
  C      -5.885879      1.445930      6.216511
  C      -8.872739      2.118358      2.674858
  H      -6.644592      2.223995     -0.629557
  H      -5.070742      2.426044     -1.458210
  H      -6.000741      0.886875     -1.591834
  H      -7.598580      0.096505      0.116324
  H      -8.511090     -1.690302      1.581448
  H      -2.333659     -2.002256      5.596336
  H      -3.908736     -0.065079      2.325159
  H     -10.015420     10.115981      0.957494
  H      -9.038670     10.103631     -0.518513
  H     -10.678414      9.373616     -0.532679
  H      -7.731965     10.278832      1.555759
  H      -5.630725     10.065991      2.877034
  H      -4.974154      3.125791      3.234979
  H      -7.816139      5.995478      1.082291
  H     -11.322649      3.390629     -0.998764
  H     -10.670720      4.788419     -0.080359
  H     -11.957109      3.796248      0.626706
  H     -10.000993      5.260284      2.002420
  H      -8.912556      5.674944      4.217868
  H      -6.591142      1.481153      7.061768
  H      -8.851100      1.121771      2.235531
  N      -2.815155      1.636957      3.176946
  H      -3.169708      1.693277      2.170416
88
Coordinates from ORCA-job orca E -6669.255931450149
  N      -1.900656      0.118565      5.502262
  Mo     -3.258397      1.531543      4.857037
  N      -4.557874      1.462199      6.479822
  C      -4.061904      2.157400      7.668114
  C      -2.532324      2.178635      7.658316
  N      -1.887304      2.497297      6.314875
  C      -0.522828      1.867181      6.247848
  C      -0.670878      0.345689      6.225905
  C      -1.779908      3.972450      6.061766
  C      -3.149094      4.537695      5.736938
  N      -3.785448      3.561857      4.860187
  H       0.190829     -0.109366      5.713057
  H      -0.722956     -0.085104      7.238373
  H      -0.065204      2.212734      5.312287
  H       0.091611      2.216393      7.091418
  H      -3.753164      4.725537      6.637827
  H      -3.056704      5.498839      5.209416
  H      -1.311176      4.454587      6.933119
  H      -1.118433      4.088186      5.192901
  H      -4.375159      1.638341      8.590376
  H      -4.471991      3.177474      7.716173
  H      -2.169775      1.188027      7.951754
  H      -2.153056      2.908941      8.387980
  C      -5.695120      1.680623     -0.956510
  C      -5.013052      1.203412      0.288316
  O      -3.929098      1.699277      0.638681
  C      -5.659299      0.146398      1.112987
  C      -6.970623     -0.323845      0.904192
  C      -7.499810     -1.310312      1.731868
  C      -6.745601     -1.808490      2.796033
  F      -7.272308     -2.758417      3.572372
  C      -5.461031     -1.308829      3.074826
  C      -4.641427     -1.694990      4.247833
  O      -4.669855     -2.765969      4.828717
  N      -3.739540     -0.666733      4.657399
  C      -2.615500     -0.975019      5.293399
  C      -4.934096     -0.379353      2.180729
  C      -9.757454      9.542723      0.043078
  C      -9.206746      8.199107      0.452810
  O      -9.798837      7.158440      0.167347
  C      -7.931409      8.150768      1.227747
  C      -7.291618      9.302631      1.718361
  C      -6.121735      9.190982      2.461065
  C      -5.594513      7.928173      2.726172
  F      -4.444045      7.887696      3.427582
  C      -6.197240      6.749867      2.250709
  C      -5.714332      5.349016      2.480306
  O      -6.006106      4.461699      1.671076
  N      -4.966073      5.181975      3.651688
  C      -4.605406      3.937385      3.871785
  C      -7.357881      6.902550      1.485433
  C     -11.063298      3.755721      0.022706
  C     -10.053721      2.824909      0.637180
  O      -9.690121      1.795742      0.069796
  C      -9.482794      3.159704      1.984077
  C      -9.506715      4.445013      2.547691
  C      -8.888798      4.689976      3.774552
  C      -8.258269      3.641463      4.432028
  F      -7.689609      3.882845      5.641960
  C      -8.228788      2.341456      3.909094
  C      -7.565029      1.183921      4.582579
  O      -8.101703      0.087570      4.663819
  N      -6.247387      1.410077      4.995590
  C      -5.880774      1.427315      6.236067
  C      -8.861833      2.124530      2.686846
  H      -6.646006      2.163683     -0.682207
  H      -5.058753      2.402518     -1.477462
  H      -5.944901      0.838698     -1.618933
  H      -7.596301      0.098688      0.117116
  H      -8.513846     -1.682511      1.588759
  H      -2.314475     -1.993559      5.576984
  H      -3.902156     -0.073491      2.317299
  H      -9.992589     10.145081      0.934815
  H      -9.021842     10.111915     -0.544931
  H     -10.667936      9.396305     -0.547000
  H      -7.705541     10.292984      1.527187
  H      -5.600995     10.070051      2.841398
  H      -4.982989      3.130703      3.222537
  H      -7.830733      6.007984      1.083166
  H     -11.329421      3.390166     -0.975843
  H     -10.698316      4.790649     -0.049161
  H     -11.966423      3.769566      0.654288
  H      -9.983653      5.267829      2.013286
  H      -8.880225      5.684178      4.222197
  H      -6.592758      1.449250      7.075878
  H      -8.842937      1.127617      2.248253
  N      -2.843023      1.653284      3.177820
  H      -3.194724      1.705822      2.170259
88
Coordinates from ORCA-job orca E -6669.256185862648
  N      -1.900281      0.129605      5.481693
  Mo     -3.278005      1.536148      4.859416
  N      -4.553583      1.442379      6.503905
  C      -4.053713      2.114862      7.702743
  C      -2.525668      2.153679      7.671087
  N      -1.906537      2.499639      6.322482
  C      -0.534667      1.889070      6.226595
  C      -0.662197      0.365267      6.188522
  C      -1.826163      3.980004      6.088814
  C      -3.206280      4.526036      5.773533
  N      -3.823011      3.557014      4.874482
  H       0.197282     -0.071676      5.656481
  H      -0.691589     -0.078371      7.196321
  H      -0.096524      2.251639      5.288143
  H       0.088937      2.236333      7.064311
  H      -3.814862      4.683152      6.677109
  H      -3.131805      5.499371      5.265856
  H      -1.364106      4.459316      6.965224
  H      -1.168851      4.119052      5.220198
  H      -4.350061      1.572118      8.616971
  H      -4.474296      3.128933      7.779209
  H      -2.147610      1.163121      7.944352
  H      -2.142284      2.877140      8.405432
  C      -5.674176      1.650394     -0.983093
  C      -5.005376      1.195404      0.277106
  O      -3.927888      1.700456      0.633911
  C      -5.655565      0.145786      1.108411
  C      -6.969926     -0.317663      0.902783
  C      -7.503107     -1.299398      1.733363
  C      -6.749163     -1.799601      2.796871
  F      -7.278099     -2.747191      3.574563
  C      -5.462160     -1.305174      3.073226
  C      -4.642499     -1.692716      4.246292
  O      -4.671618     -2.763120      4.827997
  N      -3.741206     -0.663955      4.653108
  C      -2.610512     -0.967273      5.279624
  C      -4.930913     -0.380405      2.176226
  C      -9.744980      9.559729      0.024652
  C      -9.205170      8.215644      0.446666
  O      -9.807684      7.177193      0.175072
  C      -7.926814      8.163520      1.216390
  C      -7.273532      9.313383      1.694023
  C      -6.100821      9.196633      2.431658
  C      -5.584361      7.931097      2.704906
  F      -4.430256      7.884002      3.400085
  C      -6.200364      6.755144      2.242044
  C      -5.728473      5.352251      2.478150
  O      -6.015843      4.465858      1.666931
  N      -4.996596      5.182736      3.661351
  C      -4.629696      3.938978      3.875525
  C      -7.363148      6.912404      1.481024
  C     -11.073360      3.745872      0.047679
  C     -10.053773      2.821196      0.655424
  O      -9.690020      1.792264      0.088031
  C      -9.473184      3.161161      1.996994
  C      -9.488396      4.448845      2.555205
  C      -8.861846      4.696462      3.777055
  C      -8.230700      3.648707      4.435094
  F      -7.654572      3.894087      5.640159
  C      -8.208871      2.346239      3.917180
  C      -7.546499      1.188751      4.591568
  O      -8.086065      0.094405      4.677299
  N      -6.229705      1.415822      5.011512
  C      -5.873867      1.409130      6.257111
  C      -8.851162      2.126777      2.700002
  H      -6.645381      2.105493     -0.734169
  H      -5.046385      2.386197     -1.494668
  H      -5.884616      0.797520     -1.645820
  H      -7.593321      0.107968      0.115708
  H      -8.519075     -1.667088      1.592710
  H      -2.300742     -1.984698      5.557868
  H      -3.897037     -0.078798      2.310042
  H      -9.969670     10.173091      0.911634
  H      -9.006933     10.115921     -0.572679
  H     -10.659629      9.415838     -0.559541
  H      -7.678986     10.306056      1.496739
  H      -5.569726     10.073964      2.801577
  H      -4.990683      3.137154      3.211791
  H      -7.846353      6.019620      1.087347
  H     -11.338087      3.382881     -0.952314
  H     -10.723075      4.785811     -0.020962
  H     -11.974744      3.741052      0.682097
  H      -9.965998      5.270525      2.019751
  H      -8.845284      5.692817      4.219746
  H      -6.593159      1.416597      7.090645
  H      -8.836543      1.128375      2.264852
  N      -2.870437      1.670039      3.178971
  H      -3.217227      1.719510      2.170058
88
Coordinates from ORCA-job orca E -6669.256481262792
  N      -1.903351      0.139496      5.464192
  Mo     -3.297554      1.541320      4.861916
  N      -4.548592      1.427196      6.528130
  C      -4.044481      2.076306      7.736977
  C      -2.518434      2.131334      7.683737
  N      -1.925068      2.501818      6.330269
  C      -0.547424      1.908683      6.207053
  C      -0.657340      0.382993      6.154675
  C      -1.869447      3.986303      6.114873
  C      -3.259289      4.514436      5.807069
  N      -3.857046      3.553081      4.886246
  H       0.198991     -0.037903      5.604843
  H      -0.665345     -0.071528      7.157977
  H      -0.127661      2.285699      5.265842
  H       0.085473      2.254263      7.038565
  H      -3.872691      4.642387      6.711877
  H      -3.201206      5.498707      5.318642
  H      -1.414191      4.462829      6.996303
  H      -1.215670      4.146837      5.247294
  H      -4.324488      1.510596      8.642443
  H      -4.474009      3.084122      7.841884
  H      -2.126285      1.141153      7.937517
  H      -2.129838      2.848304      8.421719
  C      -5.652884      1.618431     -1.009454
  C      -4.997152      1.185071      0.265109
  O      -3.925507      1.698160      0.627500
  C      -5.652320      0.143877      1.103507
  C      -6.969351     -0.313178      0.899827
  C      -7.507471     -1.289295      1.733696
  C      -6.755330     -1.789960      2.798321
  F      -7.287711     -2.734014      3.577914
  C      -5.466225     -1.300464      3.073202
  C      -4.647885     -1.688438      4.247588
  O      -4.679730     -2.757353      4.831701
  N      -3.746127     -0.659889      4.651217
  C      -2.610043     -0.959388      5.269554
  C      -4.929567     -0.381451      2.172954
  C      -9.739317      9.575529      0.015459
  C      -9.207760      8.231231      0.446646
  O      -9.820270      7.194938      0.189333
  C      -7.924898      8.175872      1.208746
  C      -7.258347      9.323789      1.672860
  C      -6.081032      9.202451      2.402560
  C      -5.573324      7.934652      2.681714
  F      -4.413839      7.881252      3.367605
  C      -6.202457      6.761006      2.232199
  C      -5.739627      5.356493      2.473212
  O      -6.022880      4.471054      1.660146
  N      -5.022678      5.184693      3.667057
  C      -4.649976      3.941681      3.875842
  C      -7.369273      6.922346      1.478249
  C     -11.079064      3.737320      0.068675
  C     -10.051824      2.816787      0.670526
  O      -9.690796      1.786465      0.104321
  C      -9.461680      3.161545      2.006791
  C      -9.469835      4.451341      2.560011
  C      -8.835157      4.701953      3.776901
  C      -8.201708      3.655641      4.434849
  F      -7.618207      3.905659      5.634784
  C      -8.185815      2.350900      3.921647
  C      -7.524133      1.194279      4.597458
  O      -8.065585      0.101535      4.688119
  N      -6.208924      1.423925      5.025977
  C      -5.865864      1.395050      6.276898
  C      -8.837312      2.128399      2.709605
  H      -6.642429      2.045303     -0.785254
  H      -5.034302      2.367534     -1.512637
  H      -5.824608      0.755674     -1.671199
  H      -7.589570      0.114439      0.111493
  H      -8.524951     -1.653033      1.594219
  H      -2.293511     -1.975849      5.543793
  H      -3.894112     -0.083542      2.305211
  H      -9.952529     10.198154      0.898885
  H      -9.000843     10.120447     -0.591654
  H     -10.659068      9.434037     -0.561235
  H      -7.656811     10.318427      1.471186
  H      -5.539687     10.078107      2.761477
  H      -4.994900      3.144785      3.198635
  H      -7.862897      6.031337      1.093787
  H     -11.343030      3.377042     -0.932625
  H     -10.740866      4.781171      0.003008
  H     -11.978647      3.716513      0.705541
  H      -9.949110      5.271565      2.023945
  H      -8.812143      5.700207      4.215084
  H      -6.593681      1.389170      7.102709
  H      -8.826364      1.128547      2.277991
  N      -2.896424      1.684585      3.180415
  H      -3.236615      1.730566      2.169788
88
Coordinates from ORCA-job orca E -6669.256890032663
  N      -1.909606      0.149276      5.444591
  Mo     -3.319818      1.547723      4.863587
  N      -4.539394      1.412367      6.557207
  C      -4.028112      2.033940      7.776065
  C      -2.504878      2.105526      7.696932
  N      -1.942075      2.501381      6.337805
  C      -0.560176      1.925383      6.182765
  C      -0.653920      0.398715      6.114854
  C      -1.910960      3.989393      6.142677
  C      -3.310067      4.500463      5.844249
  N      -3.891393      3.549971      4.901184
  H       0.196797     -0.006052      5.544509
  H      -0.637710     -0.067475      7.112651
  H      -0.161257      2.317085      5.238432
  H       0.084778      2.268077      7.006279
  H      -3.926696      4.598122      6.750615
  H      -3.268414      5.495733      5.376748
  H      -1.461573      4.461772      7.029279
  H      -1.261760      4.172177      5.276049
  H      -4.289385      1.443101      8.671060
  H      -4.465489      3.034581      7.913516
  H      -2.098260      1.115900      7.928702
  H      -2.108181      2.815247      8.437623
  C      -5.635803      1.605313     -1.030184
  C      -4.991154      1.186459      0.254865
  O      -3.923753      1.703512      0.623223
  C      -5.652964      0.152508      1.097590
  C      -6.972891     -0.296555      0.893825
  C      -7.518036     -1.267232      1.729339
  C      -6.769694     -1.769308      2.795891
  F      -7.308405     -2.708560      3.576928
  C      -5.478016     -1.287005      3.070797
  C      -4.662192     -1.678277      4.246288
  O      -4.700306     -2.745547      4.832831
  N      -3.757280     -0.652528      4.647022
  C      -2.615958     -0.951156      5.255965
  C      -4.933715     -0.373928      2.168611
  C      -9.727865      9.584319     -0.010821
  C      -9.206804      8.241941      0.438081
  O      -9.828088      7.206884      0.197192
  C      -7.922453      8.186646      1.198126
  C      -7.246028      9.333880      1.650076
  C      -6.067508      9.209991      2.377627
  C      -5.568209      7.941051      2.666912
  F      -4.407181      7.883428      3.349935
  C      -6.206625      6.768702      2.229013
  C      -5.753159      5.363302      2.477941
  O      -6.035175      4.476786      1.666458
  N      -5.048078      5.190962      3.681305
  C      -4.670910      3.948312      3.884557
  C      -7.374349      6.932121      1.476766
  C     -11.078493      3.716913      0.087933
  C     -10.051791      2.795129      0.690021
  O      -9.702890      1.756452      0.132041
  C      -9.449041      3.149153      2.018184
  C      -9.446385      4.444074      2.559178
  C      -8.801673      4.702911      3.768647
  C      -8.165293      3.660858      4.430190
  F      -7.571149      3.922090      5.621593
  C      -8.158898      2.350852      3.929293
  C      -7.498358      1.198482      4.612755
  O      -8.043604      0.109275      4.718160
  N      -6.183826      1.433007      5.046929
  C      -5.853265      1.378816      6.303166
  C      -8.823734      2.119495      2.725638
  H      -6.643426      1.998469     -0.827515
  H      -5.029540      2.372141     -1.521190
  H      -5.766319      0.737429     -1.695392
  H      -7.588169      0.134254      0.103635
  H      -8.537164     -1.626029      1.589359
  H      -2.294681     -1.967805      5.524047
  H      -3.896750     -0.080306      2.300813
  H      -9.931631     10.220855      0.864929
  H      -8.986474     10.113872     -0.627947
  H     -10.650864      9.443213     -0.582346
  H      -7.637496     10.329750      1.440800
  H      -5.518888     10.084904      2.727262
  H      -5.002872      3.157349      3.194534
  H      -7.875761      6.041875      1.100857
  H     -11.345068      3.355439     -0.912348
  H     -10.742984      4.761060      0.018254
  H     -11.976090      3.691955      0.727614
  H      -9.926712      5.260743      2.018868
  H      -8.769923      5.705179      4.197005
  H      -6.589730      1.357911      7.120663
  H      -8.820579      1.115420      2.304234
  N      -2.925258      1.702442      3.181244
  H      -3.256005      1.747459      2.168795
88
Coordinates from ORCA-job orca E -6669.257243081911
  N      -1.918928      0.156455      5.430854
  Mo     -3.340244      1.553435      4.866256
  N      -4.533169      1.405334      6.582163
  C      -4.016862      2.005564      7.808152
  C      -2.496369      2.089941      7.707864
  N      -1.959104      2.503452      6.343860
  C      -0.574256      1.940726      6.163818
  C      -0.655574      0.412529      6.084921
  C      -1.948312      3.993747      6.163573
  C      -3.355470      4.489634      5.870882
  N      -3.920267      3.547693      4.908453
  H       0.190159      0.019985      5.498747
  H      -0.619779     -0.061166      7.078651
  H      -0.192024      2.342436      5.216734
  H       0.080354      2.282368      6.980216
  H      -3.976108      4.562232      6.776867
  H      -3.327649      5.493344      5.420662
  H      -1.504413      4.463854      7.054108
  H      -1.302854      4.194210      5.298012
  H      -4.263265      1.395714      8.694599
  H      -4.459796      3.000177      7.970504
  H      -2.078731      1.101309      7.923234
  H      -2.092319      2.795011      8.449026
  C      -5.614581      1.563041     -1.057467
  C      -4.982767      1.164679      0.240372
  O      -3.920030      1.688094      0.612697
  C      -5.651400      0.141586      1.091637
  C      -6.973054     -0.302760      0.887932
  C      -7.524459     -1.265349      1.728609
  C      -6.780597     -1.763504      2.800193
  F      -7.324492     -2.696305      3.585270
  C      -5.487715     -1.284547      3.075006
  C      -4.675631     -1.672468      4.254705
  O      -4.719046     -2.736134      4.847273
  N      -3.768689     -0.647429      4.650314
  C      -2.623323     -0.943782      5.252183
  C      -4.936460     -0.380080      2.167877
  C      -9.733970      9.599808     -0.004591
  C      -9.214498      8.257063      0.444602
  O      -9.841390      7.223357      0.212431
  C      -7.925767      8.199804      1.197238
  C      -7.241177      9.345377      1.641344
  C      -6.057571      9.218215      2.360136
  C      -5.561504      7.947904      2.648916
  F      -4.394721      7.885315      3.321750
  C      -6.208088      6.777510      2.218982
  C      -5.757797      5.371283      2.467138
  O      -6.032342      4.487484      1.650725
  N      -5.066855      5.195177      3.679762
  C      -4.685722      3.952864      3.878334
  C      -7.380522      6.943908      1.474748
  C     -11.071152      3.713691      0.099586
  C     -10.040833      2.793323      0.698495
  O      -9.698300      1.750744      0.144287
  C      -9.430383      3.151343      2.022233
  C      -9.424895      4.447490      2.560061
  C      -8.774809      4.709177      3.765894
  C      -8.134669      3.669147      4.426779
  F      -7.536594      3.934723      5.614600
  C      -8.129798      2.357735      3.928650
  C      -7.470422      1.206730      4.614585
  O      -8.017669      0.119375      4.725466
  N      -6.158156      1.443759      5.059615
  C      -5.843536      1.373762      6.321392
  C      -8.801153      2.123510      2.728820
  H      -6.635292      1.931688     -0.877779
  H      -5.016564      2.339462     -1.543307
  H      -5.711290      0.687044     -1.718424
  H      -7.583743      0.126236      0.093431
  H      -8.544241     -1.621721      1.587961
  H      -2.298042     -1.959579      5.518761
  H      -3.898522     -0.089089      2.300206
  H      -9.929352     10.238727      0.871424
  H      -8.994931     10.125549     -0.627759
  H     -10.661289      9.460617     -0.569542
  H      -7.630009     10.342427      1.432678
  H      -5.502517     10.091787      2.702971
  H      -5.002459      3.167076      3.176428
  H      -7.888678      6.055457      1.103945
  H     -11.336474      3.354756     -0.902075
  H     -10.743945      4.760408      0.032863
  H     -11.968020      3.676868      0.739941
  H      -9.908487      5.262327      2.019986
  H      -8.740389      5.712556      4.191508
  H      -6.590269      1.344866      7.128949
  H      -8.799282      1.118528      2.309961
  N      -2.951626      1.712287      3.182562
  H      -3.273988      1.752633      2.168017
88
Coordinates from ORCA-job orca E -6669.257799100100
  N      -1.933173      0.163685      5.414359
  Mo     -3.365215      1.561143      4.867999
  N      -4.521022      1.399195      6.614217
  C      -3.996202      1.974777      7.846470
  C      -2.479289      2.071666      7.719369
  N      -1.973641      2.502439      6.348907
  C      -0.588116      1.951872      6.137303
  C      -0.659346      0.423259      6.045979
  C      -1.981722      3.994528      6.184781
  C      -3.396299      4.477278      5.902074
  N      -3.949919      3.547535      4.920891
  H       0.177667      0.042831      5.439576
  H      -0.599607     -0.059378      7.034271
  H      -0.226346      2.364086      5.186675
  H       0.080332      2.290652      6.943742
  H      -4.017661      4.524106      6.809346
  H      -3.382038      5.489614      5.470787
  H      -1.540667      4.461000      7.078588
  H      -1.342091      4.212686      5.319092
  H      -4.225231      1.344598      8.723303
  H      -4.443291      2.962829      8.036715
  H      -2.050505      1.084086      7.916577
  H      -2.064075      2.771973      8.458877
  C      -5.600658      1.545105     -1.077585
  C      -4.979823      1.158560      0.229129
  O      -3.920520      1.684153      0.607026
  C      -5.656963      0.143928      1.084804
  C      -6.980016     -0.295159      0.877813
  C      -7.539935     -1.250222      1.721414
  C      -6.803356     -1.744563      2.799643
  F      -7.355754     -2.669573      3.587959
  C      -5.509187     -1.270648      3.076800
  C      -4.702374     -1.658545      4.260500
  O      -4.756196     -2.717958      4.859684
  N      -3.789860     -0.637616      4.651231
  C      -2.640524     -0.935852      5.244070
  C      -4.948564     -0.374533      2.166725
  C      -9.731284      9.606959     -0.021847
  C      -9.217346      8.266878      0.440755
  O      -9.848994      7.233248      0.221424
  C      -7.928296      8.212443      1.193677
  C      -7.239689      9.358485      1.630986
  C      -6.055335      9.231198      2.348679
  C      -5.562111      7.961011      2.643144
  F      -4.394339      7.896737      3.314076
  C      -6.212128      6.790760      2.219609
  C      -5.765296      5.384636      2.471118
  O      -6.036381      4.500861      1.654361
  N      -5.084098      5.206909      3.691455
  C      -4.702464      3.963890      3.885513
  C      -7.385398      6.957065      1.476443
  C     -11.050941      3.695096      0.106024
  C     -10.029957      2.767680      0.711546
  O      -9.706626      1.712316      0.170698
  C      -9.409426      3.134254      2.028271
  C      -9.398209      4.434803      2.555130
  C      -8.741421      4.705422      3.754862
  C      -8.095500      3.671172      4.418746
  F      -7.489787      3.949160      5.598781
  C      -8.094984      2.355068      3.931852
  C      -7.436590      1.209881      4.627564
  O      -7.987204      0.126507      4.755401
  N      -6.125870      1.453427      5.080715
  C      -5.827377      1.364602      6.348534
  C      -8.777483      2.111094      2.739580
  H      -6.635393      1.881308     -0.918182
  H      -5.015152      2.337813     -1.551925
  H      -5.658203      0.667075     -1.741226
  H      -7.583996      0.132656      0.077961
  H      -8.560079     -1.603975      1.577235
  H      -2.314062     -1.952477      5.506112
  H      -3.910153     -0.085750      2.301627
  H      -9.921218     10.255731      0.848158
  H      -8.990503     10.122368     -0.651602
  H     -10.660325      9.466736     -0.583666
  H      -7.625746     10.355760      1.418138
  H      -5.497511     10.105011      2.686469
  H      -5.010306      3.184409      3.173281
  H      -7.896953      6.068668      1.110379
  H     -11.318481      3.333670     -0.894236
  H     -10.717789      4.739232      0.033240
  H     -11.948166      3.663708      0.746330
  H      -9.884909      5.245191      2.011414
  H      -8.702978      5.712122      4.172179
  H      -6.584781      1.325302      7.145226
  H      -8.781161      1.102126      2.331056
  N      -2.983475      1.726522      3.182949
  H      -3.293863      1.765207      2.166319
88
Coordinates from ORCA-job orca E -6669.252313450102
  N      -1.936056      0.167392      5.413715
  Mo     -3.364613      1.573949      4.869730
  N      -4.483107      1.420375      6.646099
  C      -3.957058      1.982111      7.881143
  C      -2.441572      2.077181      7.731926
  N      -1.957298      2.505582      6.353071
  C      -0.577808      1.951343      6.123771
  C      -0.654904      0.423136      6.030232
  C      -1.964375      3.998056      6.187489
  C      -3.378260      4.481831      5.906428
  N      -3.931878      3.561397      4.916879
  H       0.172878      0.043782      5.411036
  H      -0.582290     -0.063447      7.015842
  H      -0.228101      2.365175      5.169487
  H       0.101828      2.286411      6.922206
  H      -3.999698      4.518747      6.813661
  H      -3.364822      5.497361      5.483191
  H      -1.522166      4.465519      7.080148
  H      -1.326549      4.216618      5.320727
  H      -4.177711      1.344618      8.754906
  H      -4.402795      2.968023      8.083778
  H      -2.011738      1.088528      7.922077
  H      -2.011351      2.775712      8.464535
  C      -6.092532      1.431354     -1.009344
  C      -5.354773      1.089609      0.247835
  O      -4.281312      1.646473      0.524275
  C      -5.938717      0.080975      1.175558
  C      -7.264081     -0.386544      1.072055
  C      -7.751913     -1.314974      1.984885
  C      -6.937846     -1.754248      3.027909
  F      -7.435467     -2.634843      3.898184
  C      -5.629256     -1.267749      3.193854
  C      -4.743445     -1.638219      4.328450
  O      -4.772010     -2.690091      4.942852
  N      -3.810266     -0.620139      4.677407
  C      -2.654227     -0.926407      5.254013
  C      -5.144590     -0.394559      2.219017
  C      -9.947045      9.508068      0.181533
  C      -9.356308      8.185289      0.599494
  O      -9.942467      7.126447      0.374012
  C      -8.045075      8.181284      1.318708
  C      -7.407090      9.348647      1.776662
  C      -6.201976      9.262200      2.466121
  C      -5.637398      8.011624      2.713025
  F      -4.455724      7.985509      3.362432
  C      -6.234661      6.822891      2.266669
  C      -5.717550      5.433764      2.473743
  O      -5.973529      4.558412      1.644869
  N      -5.041310      5.243024      3.696151
  C      -4.668249      3.995679      3.877125
  C      -7.429468      6.950105      1.550774
  C     -10.417965      3.832002     -0.303872
  C      -9.487356      2.865809      0.382361
  O      -9.111620      1.828299     -0.158494
  C      -9.031451      3.180445      1.776939
  C      -9.116553      4.460797      2.344575
  C      -8.597344      4.707656      3.612999
  C      -7.980224      3.673168      4.301122
  F      -7.496492      3.934507      5.537846
  C      -7.898523      2.371424      3.782872
  C      -7.280706      1.229336      4.516976
  O      -7.824101      0.138540      4.597997
  N      -5.997939      1.480058      5.048196
  C      -5.774888      1.384920      6.336267
  C      -8.456859      2.144999      2.522125
  H      -7.127604      1.723211     -0.778639
  H      -5.578853      2.238606     -1.538713
  H      -6.159581      0.539826     -1.654357
  H      -7.928041      0.005403      0.302318
  H      -8.775032     -1.685249      1.925116
  H      -2.337976     -1.944262      5.523728
  H      -4.103621     -0.089674      2.269180
  H     -10.144686     10.128272      1.070095
  H      -9.247819     10.071713     -0.454276
  H     -10.882896      9.335303     -0.359552
  H      -7.848793     10.330277      1.603051
  H      -5.683549     10.153733      2.820090
  H      -4.978280      3.225793      3.157091
  H      -7.903238      6.047680      1.170297
  H     -10.565627      3.518042     -1.343636
  H     -10.064556      4.872037     -0.288605
  H     -11.386186      3.790370      0.222276
  H      -9.568093      5.277420      1.780342
  H      -8.635332      5.699307      4.064237
  H      -6.573758      1.347431      7.091005
  H      -8.399537      1.147935      2.090469
  N      -2.984349      1.729497      3.183154
  H      -3.273772      1.765903      2.160512
88
Coordinates from ORCA-job orca E -6669.260295077248
  N      -1.944500      0.173367      5.429230
  Mo     -3.373818      1.580737      4.879781
  N      -4.489463      1.400913      6.660460
  C      -3.976260      1.936601      7.910699
  C      -2.463041      2.043760      7.766833
  N      -1.980832      2.495245      6.396344
  C      -0.599852      1.951290      6.170158
  C      -0.670804      0.425771      6.059175
  C      -1.995828      3.990437      6.247853
  C      -3.407617      4.469824      5.951969
  N      -3.943505      3.564062      4.939638
  H       0.162778      0.058897      5.440858
  H      -0.603155     -0.074818      7.038028
  H      -0.247803      2.380137      5.223549
  H       0.072776      2.279158      6.977217
  H      -4.041422      4.485680      6.850553
  H      -3.394634      5.491593      5.544595
  H      -1.568723      4.450701      7.151431
  H      -1.347574      4.222636      5.392874
  H      -4.196562      1.280401      8.770828
  H      -4.429479      2.913901      8.133818
  H      -2.026753      1.054870      7.940765
  H      -2.037315      2.731945      8.511861
  C      -5.836921      1.446057     -1.117768
  C      -5.150442      1.096638      0.165461
  O      -4.114827      1.681857      0.513250
  C      -5.752670      0.051574      1.038396
  C      -7.048996     -0.464540      0.838168
  C      -7.577285     -1.395503      1.724727
  C      -6.833550     -1.787489      2.834187
  F      -7.385729     -2.646342      3.693331
  C      -5.548661     -1.274145      3.081329
  C      -4.731893     -1.624562      4.272402
  O      -4.770268     -2.682973      4.875440
  N      -3.810663     -0.607859      4.653945
  C      -2.664990     -0.921457      5.246951
  C      -5.017913     -0.397549      2.134589
  C      -9.807360      9.399456     -0.119273
  C      -9.220542      8.096261      0.360034
  O      -9.780256      7.023200      0.133892
  C      -7.945731      8.133029      1.145238
  C      -7.353096      9.319185      1.617263
  C      -6.184582      9.264913      2.371357
  C      -5.612757      8.029058      2.671577
  F      -4.469475      8.031200      3.387597
  C      -6.166458      6.824605      2.216088
  C      -5.647806      5.445865      2.472956
  O      -5.875113      4.553937      1.656562
  N      -5.012912      5.268921      3.720417
  C      -4.650797      4.018833      3.899355
  C      -7.319727      6.919586      1.431220
  C     -10.895555      4.012831      0.146533
  C      -9.916583      2.995573      0.673610
  O      -9.634466      1.978325      0.045193
  C      -9.305399      3.242451      2.020101
  C      -9.340387      4.500721      2.638025
  C      -8.683325      4.714077      3.843839
  C      -7.976690      3.669731      4.417811
  F      -7.347222      3.908723      5.588084
  C      -7.949157      2.381127      3.862268
  C      -7.270986      1.225558      4.520774
  O      -7.817228      0.141333      4.647654
  N      -5.980032      1.489804      5.034257
  C      -5.771940      1.363661      6.327832
  C      -8.647193      2.184586      2.664164
  H      -6.896244      1.689224     -0.937836
  H      -5.328021      2.285599     -1.598498
  H      -5.831912      0.569521     -1.786805
  H      -7.664500     -0.098069      0.017658
  H      -8.583765     -1.795026      1.597666
  H      -2.354919     -1.943130      5.509291
  H      -3.993503     -0.058910      2.256530
  H     -10.055600     10.039573      0.741455
  H      -9.083085      9.955018     -0.733707
  H     -10.713132      9.200781     -0.701085
  H      -7.800525     10.290161      1.403309
  H      -5.701251     10.171284      2.737194
  H      -4.946353      3.260350      3.161631
  H      -7.751926      6.001376      1.038695
  H     -11.172688      3.757223     -0.881830
  H     -10.508089      5.040637      0.170475
  H     -11.794761      3.970608      0.783205
  H      -9.864223      5.328786      2.160011
  H      -8.681111      5.689700      4.329267
  H      -6.585101      1.306800      7.065526
  H      -8.648980      1.197677      2.209393
  N      -2.969339      1.757871      3.200999
  H      -3.230929      1.809100      2.173547
88
Coordinates from ORCA-job orca E -6669.254756743163
  N      -1.932861      0.237060      5.385967
  Mo     -3.397731      1.600377      4.823020
  N      -4.490076      1.437865      6.619457
  C      -3.977350      2.016312      7.850019
  C      -2.469113      2.153532      7.688027
  N      -2.013041      2.583302      6.302975
  C      -0.621299      2.066944      6.074354
  C      -0.658891      0.536269      5.998368
  C      -2.063906      4.073098      6.123339
  C      -3.490032      4.511731      5.833834
  N      -4.015922      3.573372      4.845277
  H       0.177245      0.175748      5.379248
  H      -0.569781      0.059851      6.987342
  H      -0.288106      2.481895      5.114628
  H       0.050743      2.428973      6.867200
  H      -4.115243      4.531584      6.738838
  H      -3.505553      5.525010      5.406343
  H      -1.637987      4.562054      7.012381
  H      -1.430679      4.302649      5.256319
  H      -4.171864      1.375481      8.727682
  H      -4.452000      2.987723      8.055141
  H      -2.008553      1.179425      7.879600
  H      -2.052082      2.868650      8.412382
  C      -5.964600      1.747887     -0.774560
  C      -5.262122      1.283600      0.463900
  O      -4.270790      1.888463      0.896639
  C      -5.788521      0.101752      1.203899
  C      -7.032056     -0.511217      0.943681
  C      -7.476323     -1.564882      1.740888
  C      -6.709205     -1.977082      2.830042
  F      -7.176182     -2.957828      3.610784
  C      -5.480873     -1.364247      3.128963
  C      -4.644652     -1.685198      4.304669
  O      -4.599980     -2.751998      4.893855
  N      -3.774727     -0.613286      4.650170
  C      -2.618438     -0.877009      5.238745
  C      -5.023718     -0.377652      2.260793
  C      -9.230848     10.204384     -0.017625
  C      -8.865847      8.796057      0.377094
  O      -9.577145      7.843846      0.061512
  C      -7.625991      8.581952      1.185190
  C      -6.886863      9.642354      1.740564
  C      -5.757747      9.382974      2.507713
  C      -5.372430      8.064438      2.736521
  F      -4.255962      7.863935      3.466487
  C      -6.075638      6.975071      2.201865
  C      -5.724372      5.532589      2.399350
  O      -6.007276      4.706929      1.530324
  N      -5.082547      5.266535      3.627771
  C      -4.744913      4.007450      3.796175
  C      -7.187209      7.271107      1.404793
  C     -11.322101      3.032009      0.095825
  C     -10.215090      2.206289      0.693085
  O      -9.845916      1.151716      0.181071
  C      -9.580025      2.674594      1.969775
  C      -9.706049      3.983676      2.458402
  C      -9.024471      4.376728      3.608421
  C      -8.209451      3.459666      4.258038
  F      -7.572877      3.865428      5.380500
  C      -8.088570      2.128330      3.828568
  C      -7.316681      1.079554      4.561716
  O      -7.800009     -0.018400      4.783989
  N      -6.017206      1.418952      5.011974
  C      -5.776806      1.362802      6.303709
  C      -8.804706      1.759122      2.685434
  H      -7.035590      1.911843     -0.573018
  H      -5.504623      2.670159     -1.140322
  H      -5.908019      0.965183     -1.548766
  H      -7.675790     -0.133125      0.149932
  H      -8.439117     -2.044535      1.565376
  H      -2.274110     -1.882034      5.521346
  H      -4.038929      0.047505      2.432517
  H      -9.405214     10.815461      0.881703
  H      -8.411492     10.681726     -0.575623
  H     -10.138254     10.189024     -0.629968
  H      -7.189528     10.677235      1.578502
  H      -5.161733     10.189393      2.935916
  H      -5.039776      3.245593      3.063780
  H      -7.729700      6.443303      0.945836
  H     -11.605462      2.614868     -0.876725
  H     -11.050415      4.087435     -0.027206
  H     -12.188625      2.981146      0.776084
  H     -10.321544      4.709201      1.927140
  H      -9.095838      5.393201      3.995306
  H      -6.574785      1.305946      7.057886
  H      -8.738718      0.732274      2.332998
  N      -3.024735      1.746412      3.132277
  H      -3.307916      1.766000      2.116017
88
Coordinates from ORCA-job orca E -6669.260701906802
  N      -1.910653      0.279352      5.373706
  Mo     -3.401007      1.633972      4.854081
  N      -4.466747      1.404284      6.665419
  C      -3.954339      1.949804      7.909415
  C      -2.451765      2.116871      7.735795
  N      -2.019973      2.594064      6.358743
  C      -0.622317      2.107112      6.104271
  C      -0.637360      0.579851      5.985857
  C      -2.098929      4.087699      6.222484
  C      -3.533678      4.510824      5.950767
  N      -4.046855      3.596499      4.933140
  H       0.199561      0.250751      5.350329
  H      -0.533125      0.075707      6.959383
  H      -0.303931      2.554649      5.154226
  H       0.050798      2.456577      6.901951
  H      -4.155954      4.489516      6.857962
  H      -3.567993      5.536786      5.556027
  H      -1.677754      4.558295      7.123583
  H      -1.473388      4.353208      5.360116
  H      -4.130463      1.278891      8.768341
  H      -4.442778      2.906243      8.149951
  H      -1.973423      1.145321      7.893284
  H      -2.037701      2.816879      8.476557
  C      -6.202719      1.586545     -0.944318
  C      -5.369569      1.136228      0.215835
  O      -4.311354      1.717235      0.488350
  C      -5.847380      0.002179      1.062754
  C      -7.100930     -0.619626      0.891654
  C      -7.509173     -1.631471      1.755987
  C      -6.697895     -1.985177      2.831324
  F      -7.139867     -2.917477      3.681589
  C      -5.460524     -1.359022      3.058256
  C      -4.598242     -1.654800      4.230703
  O      -4.554884     -2.716716      4.829319
  N      -3.746027     -0.577730      4.610432
  C      -2.584902     -0.842016      5.196200
  C      -5.037390     -0.418105      2.118248
  C      -9.182333     10.147452     -0.160708
  C      -8.821667      8.749104      0.273394
  O      -9.494570      7.782078     -0.076907
  C      -7.631054      8.564427      1.159696
  C      -6.949262      9.644811      1.749452
  C      -5.862859      9.417022      2.585724
  C      -5.462901      8.109514      2.848705
  F      -4.385101      7.940549      3.642477
  C      -6.111341      7.001515      2.283193
  C      -5.744095      5.567979      2.502031
  O      -5.966226      4.742424      1.615341
  N      -5.127371      5.308606      3.746237
  C      -4.773555      4.053351      3.896700
  C      -7.180146      7.264996      1.419047
  C     -11.222640      3.139781      0.115208
  C     -10.131221      2.291577      0.710551
  O      -9.788392      1.228357      0.198402
  C      -9.485550      2.743880      1.987175
  C      -9.585708      4.055095      2.479244
  C      -8.909455      4.428423      3.638586
  C      -8.119675      3.491668      4.291849
  F      -7.501474      3.873015      5.433417
  C      -8.015984      2.162411      3.851708
  C      -7.274274      1.099098      4.590159
  O      -7.779189      0.009174      4.804106
  N      -5.974589      1.420948      5.054207
  C      -5.748747      1.324473      6.347017
  C      -8.731788      1.810314      2.703149
  H      -7.229403      1.820900     -0.617443
  H      -5.748530      2.467168     -1.406954
  H      -6.283264      0.771372     -1.682187
  H      -7.772877     -0.288630      0.100215
  H      -8.475894     -2.121874      1.643092
  H      -2.227327     -1.850383      5.448877
  H      -4.048086      0.013628      2.226761
  H      -9.423012     10.766538      0.717560
  H      -8.335753     10.630670     -0.671224
  H     -10.048246     10.110773     -0.829499
  H      -7.262213     10.671558      1.558438
  H      -5.310455     10.240071      3.040055
  H      -5.052309      3.306676      3.142031
  H      -7.672498      6.417172      0.934567
  H     -11.520574      2.726492     -0.854403
  H     -10.923208      4.186744     -0.014080
  H     -12.086365      3.115712      0.800124
  H     -10.185277      4.794675      1.950307
  H      -8.971178      5.442089      4.034583
  H      -6.553214      1.242473      7.091935
  H      -8.688931      0.782118      2.351988
  N      -3.034990      1.836407      3.169022
  H      -3.325527      1.885925      2.158800
88
Coordinates from ORCA-job orca E -6669.266782112729
  N      -2.009905      0.203908      5.394288
  Mo     -3.472473      1.594829      4.879401
  N      -4.456386      1.438119      6.752354
  C      -3.902161      1.989275      7.971429
  C      -2.401536      2.112619      7.735731
  N      -2.012038      2.543424      6.328528
  C      -0.640507      2.004848      6.041037
  C      -0.711317      0.476942      5.962166
  C      -2.052273      4.034653      6.156648
  C      -3.479358      4.495193      5.915412
  N      -4.048078      3.581385      4.929825
  H       0.094229      0.106172      5.309147
  H      -0.592268     -0.007411      6.944290
  H      -0.336960      2.417440      5.070619
  H       0.068903      2.349951      6.808468
  H      -4.078013      4.510459      6.838839
  H      -3.491699      5.514347      5.502402
  H      -1.592363      4.514190      7.033794
  H      -1.446834      4.264900      5.269694
  H      -4.066760      1.338422      8.847553
  H      -4.359182      2.963386      8.206286
  H      -1.945128      1.131251      7.897461
  H      -1.936854      2.817413      8.440894
  C      -6.095028      1.439444     -1.003071
  C      -5.314205      1.004375      0.199973
  O      -4.254681      1.569909      0.496798
  C      -5.852922     -0.094155      1.057176
  C      -7.101867     -0.704654      0.836556
  C      -7.584820     -1.659657      1.724809
  C      -6.847825     -1.975948      2.862629
  F      -7.376462     -2.837491      3.733829
  C      -5.602990     -1.377602      3.128617
  C      -4.798293     -1.651600      4.348734
  O      -4.795814     -2.700887      4.971577
  N      -3.894345     -0.605925      4.696687
  C      -2.726232     -0.899120      5.260987
  C      -5.113145     -0.483399      2.175743
  C      -9.620854      9.797212     -0.072353
  C      -9.126140      8.439956      0.365085
  O      -9.720845      7.413046      0.045715
  C      -7.892722      8.369739      1.211013
  C      -7.281238      9.507825      1.767254
  C      -6.151366      9.378850      2.568318
  C      -5.636735      8.111060      2.828504
  F      -4.522155      8.042933      3.586126
  C      -6.214492      6.947537      2.292947
  C      -5.742317      5.542834      2.503973
  O      -5.976811      4.693135      1.643354
  N      -5.103984      5.306534      3.738445
  C      -4.778754      4.049010      3.902009
  C      -7.330480      7.116618      1.466398
  C     -10.742334      3.672921     -0.008600
  C      -9.766724      2.701909      0.603839
  O      -9.489440      1.638031      0.054503
  C      -9.154919      3.044529      1.929484
  C      -9.197586      4.341260      2.470163
  C      -8.571757      4.625590      3.679429
  C      -7.883562      3.613780      4.333904
  F      -7.324108      3.901166      5.531907
  C      -7.829230      2.301830      3.839850
  C      -7.190598      1.188391      4.589933
  O      -7.766911      0.130393      4.784894
  N      -5.898157      1.446021      5.114717
  C      -5.731786      1.378423      6.422388
  C      -8.501162      2.033077      2.643526
  H      -7.124920      1.709386     -0.721196
  H      -5.601570      2.295143     -1.473492
  H      -6.169333      0.606928     -1.721349
  H      -7.721925     -0.403641     -0.006872
  H      -8.556559     -2.131562      1.579219
  H      -2.397571     -1.913683      5.527404
  H      -4.124075     -0.064347      2.321985
  H      -9.888837     10.407182      0.804329
  H      -8.835570     10.344466     -0.615433
  H     -10.500410      9.675832     -0.712640
  H      -7.683341     10.503272      1.578934
  H      -5.653360     10.249247      2.996492
  H      -5.099749      3.299040      3.167750
  H      -7.770686      6.228442      1.009723
  H     -11.020030      3.330715     -1.011128
  H     -10.337183      4.692550     -0.068532
  H     -11.643362      3.709654      0.624939
  H      -9.720344      5.140274      1.944662
  H      -8.599622      5.622763      4.118687
  H      -6.562913      1.346840      7.141388
  H      -8.505417      1.017480      2.255009
  N      -3.151673      1.743652      3.178051
  H      -3.447727      1.781270      2.171472
88
Coordinates from ORCA-job orca E -6669.267774853658
  N      -2.074738      0.155750      5.404513
  Mo     -3.501389      1.586301      4.882325
  N      -4.438453      1.483316      6.789900
  C      -3.867300      2.024022      8.002305
  C      -2.366054      2.105880      7.739517
  N      -1.991800      2.506042      6.316997
  C      -0.642071      1.922408      6.012089
  C      -0.760682      0.396424      5.950026
  C      -1.990953      3.994540      6.128486
  C      -3.405609      4.492681      5.894469
  N      -4.006561      3.594151      4.913989
  H       0.023202     -0.004299      5.288085
  H      -0.639140     -0.081755      6.934905
  H      -0.341381      2.315374      5.032602
  H       0.090707      2.252494      6.764154
  H      -3.997695      4.525819      6.821934
  H      -3.391704      5.511349      5.480149
  H      -1.510887      4.471014      6.996478
  H      -1.387869      4.200010      5.233762
  H      -4.037904      1.382529      8.883856
  H      -4.297812      3.011045      8.234373
  H      -1.935484      1.113855      7.905375
  H      -1.866836      2.805608      8.425889
  C      -6.061257      1.351817     -1.010390
  C      -5.322941      0.936999      0.227117
  O      -4.267052      1.494763      0.551988
  C      -5.906614     -0.129480      1.092057
  C      -7.161479     -0.721149      0.858968
  C      -7.688929     -1.630778      1.771078
  C      -6.983837     -1.925273      2.935660
  F      -7.552753     -2.741646      3.825656
  C      -5.724123     -1.357354      3.201049
  C      -4.927204     -1.629804      4.423217
  O      -4.972834     -2.656641      5.081134
  N      -3.990189     -0.606018      4.743561
  C      -2.825657     -0.927043      5.298342
  C      -5.200832     -0.499814      2.236226
  C      -9.866918      9.544975      0.004715
  C      -9.256720      8.231964      0.432364
  O      -9.774125      7.159107      0.127526
  C      -8.003789      8.259674      1.252938
  C      -7.467352      9.435245      1.808166
  C      -6.318637      9.381850      2.592925
  C      -5.710616      8.151743      2.837127
  F      -4.587324      8.156892      3.584508
  C      -6.211023      6.954987      2.297245
  C      -5.657104      5.578427      2.492351
  O      -5.873678      4.717753      1.638398
  N      -5.011203      5.350883      3.721573
  C      -4.716222      4.087160      3.885573
  C      -7.347186      7.052252      1.488316
  C     -10.491924      3.922024     -0.111868
  C      -9.531904      2.923145      0.483576
  O      -9.206044      1.904853     -0.123421
  C      -8.984611      3.189975      1.852199
  C      -9.109349      4.443780      2.473773
  C      -8.538531      4.677345      3.718570
  C      -7.822648      3.658100      4.328337
  F      -7.301661      3.898340      5.552712
  C      -7.694276      2.381726      3.759277
  C      -7.059086      1.253012      4.491515
  O      -7.628660      0.185653      4.645640
  N      -5.794933      1.511413      5.093956
  C      -5.701454      1.443761      6.416631
  C      -8.313669      2.159874      2.524582
  H      -7.097815      1.634079     -0.769992
  H      -5.543493      2.192327     -1.482527
  H      -6.119068      0.505761     -1.713991
  H      -7.754133     -0.438749     -0.010383
  H      -8.667593     -2.085815      1.618909
  H      -2.526610     -1.946983      5.578489
  H      -4.204084     -0.101249      2.388170
  H     -10.165196     10.135196      0.885074
  H      -9.138839     10.150758     -0.555591
  H     -10.747099      9.351943     -0.616950
  H      -7.944164     10.400156      1.635457
  H      -5.879689     10.282503      3.022940
  H      -5.065208      3.346095      3.155779
  H      -7.730917      6.140367      1.034259
  H     -10.719694      3.639561     -1.144878
  H     -10.093682      4.947733     -0.089999
  H     -11.421340      3.918885      0.479876
  H      -9.649898      5.253000      1.982485
  H      -8.625533      5.642124      4.217905
  H      -6.569736      1.429561      7.089550
  H      -8.263598      1.170302      2.074154
  N      -3.193379      1.700045      3.173787
  H      -3.465396      1.736865      2.159870
88
Coordinates from ORCA-job orca E -6669.270491014580
  N      -2.102781      0.145079      5.405991
  Mo     -3.506175      1.592989      4.865329
  N      -4.435872      1.542854      6.782926
  C      -3.844263      2.093675      7.980944
  C      -2.342108      2.139516      7.712721
  N      -1.970160      2.509025      6.282686
  C      -0.633108      1.896497      5.977024
  C      -0.780772      0.371805      5.940257
  C      -1.942052      3.993211      6.078895
  C      -3.349918      4.511763      5.849394
  N      -3.967871      3.617477      4.875037
  H      -0.007893     -0.053705      5.280510
  H      -0.661376     -0.092457      6.931918
  H      -0.331326      2.269046      4.989771
  H       0.110686      2.223809      6.719592
  H      -3.937698      4.558208      6.779406
  H      -3.321369      5.528850      5.431805
  H      -1.449388      4.470429      6.939507
  H      -1.340093      4.178862      5.179165
  H      -4.023646      1.471105      8.874009
  H      -4.252278      3.093763      8.196647
  H      -1.931742      1.141707      7.892959
  H      -1.825792      2.840890      8.384652
  C      -6.043777      1.325461     -0.963671
  C      -5.306427      0.870333      0.259843
  O      -4.233474      1.394932      0.588116
  C      -5.908179     -0.192038      1.116507
  C      -7.159322     -0.790482      0.876192
  C      -7.690653     -1.697770      1.792959
  C      -6.994244     -1.980013      2.968142
  F      -7.560766     -2.796275      3.864660
  C      -5.741370     -1.398739      3.235964
  C      -4.948500     -1.646375      4.460323
  O      -5.002050     -2.653790      5.147212
  N      -4.023265     -0.606657      4.762602
  C      -2.863822     -0.928816      5.319993
  C      -5.215873     -0.547703      2.270609
  C      -9.837150      9.692754      0.175111
  C      -9.199298      8.368881      0.518343
  O      -9.683860      7.308318      0.127644
  C      -7.960937      8.368283      1.358845
  C      -7.469872      9.514343      2.009123
  C      -6.336599      9.434970      2.812683
  C      -5.698403      8.207083      2.978223
  F      -4.593265      8.185437      3.750863
  C      -6.149607      7.040579      2.340287
  C      -5.555605      5.671729      2.459095
  O      -5.732340      4.854291      1.553951
  N      -4.922421      5.397509      3.684181
  C      -4.660005      4.123818      3.839900
  C      -7.273669      7.163902      1.517668
  C     -10.549317      3.615292     -0.279739
  C      -9.607739      2.671359      0.422191
  O      -9.295050      1.588915     -0.071833
  C      -9.052312      3.067877      1.755220
  C      -9.177979      4.368452      2.268822
  C      -8.600897      4.706346      3.488368
  C      -7.881616      3.742148      4.180381
  F      -7.352326      4.086473      5.376863
  C      -7.751901      2.422367      3.717869
  C      -7.135112      1.340806      4.541102
  O      -7.738049      0.310549      4.785468
  N      -5.838689      1.566980      5.095361
  C      -5.708256      1.540700      6.419350
  C      -8.374821      2.103345      2.506823
  H      -7.062652      1.652463     -0.701873
  H      -5.496753      2.147805     -1.435116
  H      -6.150731      0.491375     -1.675369
  H      -7.741983     -0.524142     -0.005815
  H      -8.662691     -2.163685      1.633352
  H      -2.573355     -1.947368      5.613740
  H      -4.222650     -0.142778      2.430448
  H     -10.166176     10.210916      1.089270
  H      -9.116483     10.355153     -0.327498
  H     -10.701538      9.522102     -0.474862
  H      -7.972449     10.475552      1.898205
  H      -5.933563     10.312596      3.318552
  H      -5.020226      3.391956      3.107064
  H      -7.622472      6.276023      0.992787
  H     -10.788820      3.218958     -1.271879
  H     -10.125533      4.625827     -0.378004
  H     -11.475557      3.709482      0.309649
  H      -9.721786      5.132850      1.713938
  H      -8.688125      5.709366      3.905398
  H      -6.565137      1.573706      7.105165
  H      -8.326562      1.079097      2.137990
  N      -3.207541      1.673264      3.152149
  H      -3.472335      1.703021      2.133389
88
Coordinates from ORCA-job orca E -6669.271562898060
  N      -2.115203      0.137307      5.398754
  Mo     -3.522651      1.587775      4.868379
  N      -4.428260      1.532376      6.805545
  C      -3.825006      2.077786      7.999017
  C      -2.326385      2.122382      7.716643
  N      -1.971294      2.496777      6.285311
  C      -0.638537      1.885215      5.964153
  C      -0.788510      0.361375      5.923044
  C      -1.944041      3.981875      6.092140
  C      -3.355005      4.499860      5.876978
  N      -3.971256      3.617715      4.890873
  H      -0.021465     -0.061939      5.255179
  H      -0.660614     -0.106903      6.911759
  H      -0.345222      2.261786      4.975865
  H       0.112529      2.208036      6.701321
  H      -3.940026      4.529388      6.808960
  H      -3.332056      5.523665      5.476271
  H      -1.446431      4.454308      6.952578
  H      -1.348372      4.174641      5.189800
  H      -3.995807      1.449813      8.889943
  H      -4.229450      3.076845      8.224584
  H      -1.915481      1.123050      7.888175
  H      -1.802383      2.820732      8.385405
  C      -6.067107      1.290511     -1.017999
  C      -5.343141      0.892339      0.231224
  O      -4.296634      1.465610      0.564216
  C      -5.925013     -0.178744      1.094476
  C      -7.164529     -0.797591      0.845889
  C      -7.689215     -1.710581      1.759274
  C      -6.995638     -1.987100      2.936335
  F      -7.557738     -2.811282      3.827233
  C      -5.752013     -1.392536      3.216105
  C      -4.969141     -1.646362      4.450990
  O      -5.020616     -2.662767      5.124582
  N      -4.039058     -0.613908      4.762726
  C      -2.873670     -0.937701      5.312607
  C      -5.233851     -0.524888      2.256298
  C      -9.848332      9.603107      0.069558
  C      -9.174120      8.295639      0.403118
  O      -9.593453      7.230245     -0.046771
  C      -7.985462      8.316322      1.311714
  C      -7.586451      9.456379      2.032401
  C      -6.501524      9.394029      2.901225
  C      -5.819786      8.188908      3.061311
  F      -4.765289      8.182070      3.901448
  C      -6.176580      7.031078      2.353116
  C      -5.537560      5.682994      2.466191
  O      -5.569457      4.915119      1.501983
  N      -4.923259      5.409741      3.702926
  C      -4.653813      4.136558      3.853502
  C      -7.253577      7.137228      1.467058
  C     -10.515584      3.716529     -0.217133
  C      -9.632555      2.726629      0.495121
  O      -9.423029      1.604296      0.036411
  C      -9.013616      3.124460      1.799631
  C      -9.044882      4.444678      2.277944
  C      -8.422550      4.777459      3.477256
  C      -7.753178      3.787736      4.182773
  F      -7.175990      4.126512      5.359471
  C      -7.713371      2.452081      3.751768
  C      -7.151099      1.362224      4.598183
  O      -7.814705      0.387281      4.903806
  N      -5.840540      1.543440      5.131862
  C      -5.701023      1.543999      6.453918
  C      -8.377468      2.139363      2.561794
  H      -7.102536      1.585469     -0.784108
  H      -5.539536      2.120277     -1.498652
  H      -6.129882      0.436129     -1.710635
  H      -7.743934     -0.541260     -0.040926
  H      -8.653627     -2.190013      1.592782
  H      -2.579196     -1.956995      5.599898
  H      -4.248902     -0.103516      2.423972
  H     -10.247833     10.074063      0.981149
  H      -9.130425     10.311905     -0.369778
  H     -10.668349      9.420905     -0.632728
  H      -8.125101     10.398504      1.926530
  H      -6.170449     10.267392      3.463573
  H      -5.004816      3.411508      3.109517
  H      -7.531605      6.253873      0.891440
  H     -10.821030      3.301267     -1.183143
  H     -10.011824      4.681721     -0.371936
  H     -11.409801      3.914844      0.395500
  H      -9.547708      5.227953      1.710160
  H      -8.437704      5.794489      3.868079
  H      -6.554340      1.603343      7.143002
  H      -8.397025      1.105900      2.218277
  N      -3.236805      1.670297      3.154043
  H      -3.491959      1.700493      2.131210
88
Coordinates from ORCA-job orca E -6669.273168506290
  N      -2.126559      0.149806      5.393394
  Mo     -3.534368      1.603834      4.867809
  N      -4.428561      1.541068      6.816166
  C      -3.821167      2.078869      8.010381
  C      -2.322625      2.121670      7.722110
  N      -1.970605      2.502578      6.291983
  C      -0.642164      1.889370      5.961036
  C      -0.796853      0.367533      5.912202
  C      -1.935483      3.988162      6.108000
  C      -3.344322      4.511516      5.900964
  N      -3.961809      3.642325      4.904956
  H      -0.034007     -0.054754      5.239021
  H      -0.666059     -0.106403      6.897832
  H      -0.352699      2.271600      4.973828
  H       0.113528      2.205029      6.696504
  H      -3.927906      4.527879      6.833363
  H      -3.321737      5.540831      5.515245
  H      -1.433947      4.454447      6.969512
  H      -1.341448      4.183648      5.205268
  H      -3.987755      1.442516      8.896215
  H      -4.224400      3.075183      8.247683
  H      -1.914767      1.119504      7.885791
  H      -1.794571      2.813803      8.393757
  C      -6.131834      1.260289     -1.051468
  C      -5.399572      0.899186      0.203038
  O      -4.366189      1.503039      0.522006
  C      -5.959138     -0.174564      1.079795
  C      -7.188290     -0.814209      0.832809
  C      -7.701173     -1.729424      1.748822
  C      -7.005579     -1.991765      2.926393
  F      -7.555430     -2.825643      3.815182
  C      -5.771444     -1.379064      3.209480
  C      -4.991147     -1.629199      4.450537
  O      -5.031258     -2.652971      5.113540
  N      -4.055937     -0.601426      4.763276
  C      -2.885296     -0.926652      5.306319
  C      -5.264079     -0.504442      2.246415
  C      -9.825174      9.577952      0.039885
  C      -9.135598      8.283211      0.389536
  O      -9.541879      7.207293     -0.048147
  C      -7.950704      8.329034      1.302021
  C      -7.580432      9.477017      2.025995
  C      -6.502040      9.436131      2.903923
  C      -5.798577      8.244450      3.072184
  F      -4.751088      8.260634      3.920483
  C      -6.125310      7.079893      2.360183
  C      -5.463688      5.742927      2.476047
  O      -5.500450      4.966498      1.519400
  N      -4.877078      5.459271      3.723194
  C      -4.631269      4.181252      3.871106
  C      -7.195691      7.165093      1.463065
  C     -10.499937      3.703147     -0.207736
  C      -9.602697      2.714020      0.485489
  O      -9.367615      1.607720      0.000827
  C      -9.001617      3.095976      1.803214
  C      -9.084859      4.401419      2.314958
  C      -8.486002      4.723855      3.528898
  C      -7.786467      3.741173      4.213375
  F      -7.228512      4.067430      5.402042
  C      -7.697442      2.419671      3.751170
  C      -7.124388      1.335423      4.594659
  O      -7.772902      0.347472      4.891914
  N      -5.825653      1.545126      5.141291
  C      -5.697543      1.544927      6.463989
  C      -8.337576      2.112888      2.546796
  H      -7.170625      1.544155     -0.817853
  H      -5.618533      2.087368     -1.551609
  H      -6.186437      0.390792     -1.725635
  H      -7.767683     -0.572714     -0.057582
  H      -8.657650     -2.224842      1.581790
  H      -2.589001     -1.946349      5.590266
  H      -4.287121     -0.066021      2.414756
  H     -10.232236     10.054040      0.945347
  H      -9.114844     10.290496     -0.405899
  H     -10.641293      9.378037     -0.662081
  H      -8.136430     10.408298      1.914947
  H      -6.192625     10.316379      3.467932
  H      -4.983830      3.467505      3.115831
  H      -7.451525      6.274896      0.885705
  H     -10.801423      3.300685     -1.180314
  H     -10.006565      4.676300     -0.345796
  H     -11.394988      3.882995      0.409121
  H      -9.608923      5.181452      1.761358
  H      -8.543035      5.728066      3.947182
  H      -6.557391      1.593762      7.146700
  H      -8.319942      1.088932      2.178242
  N      -3.257592      1.690259      3.153603
  H      -3.502401      1.724950      2.128504
88
Coordinates from ORCA-job orca E -6669.274361362304
  N      -2.155790      0.140522      5.385855
  Mo     -3.559985      1.596545      4.849055
  N      -4.428732      1.568498      6.815837
  C      -3.806126      2.112231      7.998657
  C      -2.307461      2.139540      7.692077
  N      -1.965636      2.503054      6.252984
  C      -0.647458      1.873136      5.914353
  C      -0.818811      0.353524      5.887033
  C      -1.913895      3.984222      6.051535
  C      -3.316251      4.519921      5.853895
  N      -3.952199      3.649860      4.872892
  H      -0.067012     -0.085978      5.212198
  H      -0.682522     -0.107555      6.878093
  H      -0.363934      2.240091      4.919610
  H       0.119441      2.189357      6.637909
  H      -3.890433      4.549146      6.791930
  H      -3.286696      5.546861      5.462411
  H      -1.398295      4.455541      6.902049
  H      -1.328611      4.164263      5.139723
  H      -3.967525      1.482969      8.890292
  H      -4.198985      3.114135      8.231160
  H      -1.909435      1.134352      7.860393
  H      -1.765335      2.832452      8.351440
  C      -6.029684      1.118061     -1.067762
  C      -5.323378      0.731441      0.195252
  O      -4.243163      1.257957      0.497134
  C      -5.956715     -0.271333      1.102975
  C      -7.222397     -0.845962      0.884446
  C      -7.778777     -1.700672      1.834837
  C      -7.089482     -1.965734      3.016919
  F      -7.673045     -2.744537      3.934575
  C      -5.823910     -1.406576      3.272699
  C      -5.035288     -1.647679      4.506634
  O      -5.100102     -2.647233      5.204055
  N      -4.093926     -0.617601      4.791231
  C      -2.916373     -0.936824      5.322518
  C      -5.279705     -0.597310      2.277927
  C      -9.919142      9.529987      0.129765
  C      -9.182809      8.251810      0.444452
  O      -9.541261      7.176801     -0.035422
  C      -8.006219      8.311577      1.365246
  C      -7.695364      9.442587      2.141485
  C      -6.625394      9.412502      3.029624
  C      -5.871160      8.246903      3.155313
  F      -4.837093      8.274062      4.019023
  C      -6.137825      7.099735      2.389785
  C      -5.421357      5.786892      2.461865
  O      -5.444670      5.029344      1.489477
  N      -4.837222      5.479223      3.700163
  C      -4.619697      4.197632      3.845665
  C      -7.201693      7.175974      1.484118
  C     -10.378291      3.792658     -0.302537
  C      -9.505592      2.795734      0.409532
  O      -9.260032      1.692365     -0.078075
  C      -8.929137      3.169343      1.741008
  C      -9.039756      4.466737      2.267956
  C      -8.469496      4.780234      3.498468
  C      -7.775072      3.795213      4.185464
  F      -7.248977      4.107238      5.393314
  C      -7.659355      2.482016      3.706366
  C      -7.109305      1.395597      4.563890
  O      -7.768495      0.409259      4.843224
  N      -5.817119      1.580887      5.133011
  C      -5.697045      1.577885      6.459175
  C      -8.268084      2.185021      2.484733
  H      -7.029001      1.517629     -0.831939
  H      -5.441822      1.872169     -1.600864
  H      -6.183090      0.238431     -1.711859
  H      -7.794197     -0.607637     -0.011534
  H      -8.762276     -2.147375      1.688595
  H      -2.617642     -1.952347      5.618149
  H      -4.279055     -0.210967      2.427318
  H     -10.354775      9.960631      1.044649
  H      -9.233048     10.283993     -0.284846
  H     -10.719692      9.321728     -0.587546
  H      -8.292102     10.351665      2.063569
  H      -6.361836     10.280268      3.634676
  H      -4.989894      3.488982      3.093327
  H      -7.409773      6.302141      0.865691
  H     -10.665720      3.389056     -1.278940
  H      -9.866391      4.758797     -0.431365
  H     -11.282960      3.995399      0.292289
  H      -9.561703      5.248327      1.714132
  H      -8.549792      5.777043      3.930511
  H      -6.561666      1.644711      7.134353
  H      -8.233022      1.166352      2.101105
  N      -3.310102      1.655891      3.129717
  H      -3.547078      1.680727      2.103341
88
Coordinates from ORCA-job orca E -6669.275407990055
  N      -2.154980      0.153807      5.366492
  Mo     -3.574486      1.601417      4.841229
  N      -4.418890      1.564223      6.824262
  C      -3.788978      2.102520      8.004874
  C      -2.293813      2.140051      7.683009
  N      -1.968454      2.513337      6.243253
  C      -0.650543      1.893493      5.886546
  C      -0.812689      0.373098      5.851710
  C      -1.927269      3.995040      6.051220
  C      -3.335626      4.519924      5.865683
  N      -3.964497      3.655941      4.874525
  H      -0.066543     -0.058357      5.165509
  H      -0.661618     -0.092530      6.838504
  H      -0.380350      2.268117      4.890976
  H       0.122967      2.209909      6.603081
  H      -3.907151      4.529760      6.805970
  H      -3.318819      5.552552      5.488931
  H      -1.409889      4.465221      6.901355
  H      -1.349792      4.185959      5.136627
  H      -3.936901      1.464536      8.892732
  H      -4.185315      3.100052      8.249794
  H      -1.889444      1.136106      7.841745
  H      -1.748963      2.832183      8.341053
  C      -6.113716      1.076497     -1.060609
  C      -5.389746      0.708646      0.198389
  O      -4.332578      1.277421      0.504241
  C      -5.993299     -0.306170      1.111792
  C      -7.248233     -0.907355      0.902439
  C      -7.786056     -1.761304      1.863501
  C      -7.086854     -2.003630      3.044247
  F      -7.655961     -2.778333      3.974297
  C      -5.826816     -1.426484      3.286815
  C      -5.024534     -1.658609      4.514362
  O      -5.072762     -2.660079      5.210084
  N      -4.089778     -0.622135      4.792026
  C      -2.904584     -0.930379      5.309948
  C      -5.302117     -0.614274      2.283608
  C      -9.884613      9.572552      0.091505
  C      -9.154055      8.291038      0.405991
  O      -9.495519      7.223729     -0.102751
  C      -8.005412      8.337053      1.361835
  C      -7.730788      9.450504      2.176484
  C      -6.687892      9.408407      3.095655
  C      -5.924106      8.248344      3.212749
  F      -4.915998      8.263112      4.107009
  C      -6.154612      7.119232      2.409978
  C      -5.423763      5.813992      2.471257
  O      -5.388848      5.088793      1.474891
  N      -4.852030      5.493630      3.711438
  C      -4.630804      4.212299      3.847445
  C      -7.192360      7.206688      1.475458
  C     -10.289647      3.806491     -0.339584
  C      -9.449547      2.796148      0.392156
  O      -9.214888      1.686871     -0.087147
  C      -8.888916      3.165575      1.731839
  C      -8.998274      4.463531      2.257392
  C      -8.442913      4.773672      3.495674
  C      -7.763290      3.784551      4.191177
  F      -7.254868      4.091569      5.408273
  C      -7.647608      2.470741      3.711822
  C      -7.108930      1.386704      4.579927
  O      -7.784755      0.419179      4.884823
  N      -5.815954      1.568043      5.145794
  C      -5.688311      1.567503      6.473432
  C      -8.245221      2.176604      2.484391
  H      -7.119417      1.456222     -0.815851
  H      -5.546817      1.841823     -1.600019
  H      -6.255090      0.192633     -1.701541
  H      -7.830734     -0.683576      0.009382
  H      -8.764664     -2.221912      1.728054
  H      -2.592185     -1.943117      5.600868
  H      -4.307103     -0.208385      2.424654
  H     -10.349911      9.985708      0.999823
  H      -9.188712     10.335849     -0.288229
  H     -10.662036      9.374938     -0.653682
  H      -8.334745     10.355209      2.103475
  H      -6.452123     10.262674      3.730649
  H      -4.999627      3.508940      3.089921
  H      -7.371698      6.346580      0.829344
  H     -10.573587      3.401289     -1.316235
  H      -9.752866      4.759170     -0.468191
  H     -11.197054      4.037685      0.240508
  H      -9.507539      5.247729      1.696144
  H      -8.524231      5.770634      3.927499
  H      -6.551382      1.632773      7.150293
  H      -8.211348      1.158619      2.099575
  N      -3.343744      1.661735      3.120541
  H      -3.571316      1.683570      2.093326
88
Coordinates from ORCA-job orca E -6669.276112487336
  N      -2.155451      0.159425      5.360288
  Mo     -3.573280      1.609542      4.834388
  N      -4.423492      1.566061      6.819760
  C      -3.790499      2.097085      8.002155
  C      -2.294351      2.130386      7.685345
  N      -1.960448      2.512320      6.251300
  C      -0.644359      1.890240      5.892856
  C      -0.811076      0.371002      5.845320
  C      -1.912686      3.993783      6.072103
  C      -3.320586      4.521601      5.885769
  N      -3.939790      3.669448      4.878074
  H      -0.066686     -0.058761      5.156259
  H      -0.662207     -0.102193      6.828864
  H      -0.371616      2.271798      4.900659
  H       0.129703      2.198411      6.612540
  H      -3.898268      4.516777      6.822569
  H      -3.303542      5.559671      5.524550
  H      -1.396924      4.455735      6.927785
  H      -1.332637      4.191555      5.160613
  H      -3.940457      1.453890      8.885990
  H      -4.183606      3.094385      8.252780
  H      -1.895622      1.123761      7.839629
  H      -1.750626      2.816218      8.351096
  C      -6.114486      1.033263     -1.111363
  C      -5.413474      0.724713      0.176019
  O      -4.374748      1.325171      0.484637
  C      -6.009537     -0.282244      1.102324
  C      -7.264476     -0.885477      0.898491
  C      -7.799336     -1.735371      1.863630
  C      -7.094374     -1.979127      3.040282
  F      -7.656423     -2.759484      3.969637
  C      -5.833476     -1.402522      3.278892
  C      -5.026723     -1.647085      4.503376
  O      -5.070737     -2.658424      5.184623
  N      -4.087256     -0.619320      4.786950
  C      -2.901263     -0.926842      5.299740
  C      -5.313301     -0.586211      2.274218
  C      -9.885279      9.512576      0.065480
  C      -9.125362      8.247098      0.376049
  O      -9.424697      7.179506     -0.158040
  C      -8.000113      8.307705      1.357889
  C      -7.782932      9.410491      2.203862
  C      -6.760505      9.382792      3.146336
  C      -5.958366      8.248139      3.253022
  F      -4.971060      8.277184      4.170209
  C      -6.130399      7.131911      2.418200
  C      -5.354275      5.853047      2.467458
  O      -5.258304      5.157672      1.453975
  N      -4.810908      5.519859      3.715131
  C      -4.593068      4.238609      3.845538
  C      -7.151346      7.203148      1.464296
  C     -10.305253      3.821991     -0.323175
  C      -9.495533      2.796302      0.420897
  O      -9.322163      1.663724     -0.028664
  C      -8.897068      3.174710      1.741877
  C      -8.949358      4.486451      2.241285
  C      -8.374363      4.799005      3.470090
  C      -7.733928      3.796389      4.182978
  F      -7.212286      4.103280      5.395828
  C      -7.664495      2.471320      3.723086
  C      -7.150636      1.389805      4.611085
  O      -7.853659      0.453668      4.952863
  N      -5.849847      1.554432      5.154225
  C      -5.695948      1.574068      6.479971
  C      -8.280019      2.176860      2.505429
  H      -7.124800      1.420494     -0.896982
  H      -5.542019      1.778229     -1.672727
  H      -6.245163      0.123185     -1.716516
  H      -7.851362     -0.664267      0.006950
  H      -8.779425     -2.194218      1.733170
  H      -2.584112     -1.939639      5.585334
  H      -4.316635     -0.178718      2.410839
  H     -10.386082      9.895046      0.968431
  H      -9.203583     10.303199     -0.282603
  H     -10.637412      9.305728     -0.702749
  H      -8.416562     10.295148      2.136867
  H      -6.569241     10.229108      3.806432
  H      -4.958749      3.542197      3.080275
  H      -7.287323      6.351294      0.796921
  H     -10.634583      3.399499     -1.277919
  H      -9.726329      4.742376     -0.496216
  H     -11.184774      4.118836      0.269915
  H      -9.433095      5.277343      1.667520
  H      -8.415121      5.806499      3.883295
  H      -6.549617      1.646233      7.167813
  H      -8.284156      1.152464      2.135632
  N      -3.350217      1.669256      3.115453
  H      -3.561285      1.689300      2.084974
88
Coordinates from ORCA-job orca E -6669.276879386873
  N      -2.163640      0.174608      5.338407
  Mo     -3.601221      1.615119      4.830058
  N      -4.407785      1.554240      6.839343
  C      -3.766964      2.067373      8.023514
  C      -2.277948      2.119956      7.681534
  N      -1.974306      2.520342      6.246812
  C      -0.658997      1.915410      5.859628
  C      -0.811917      0.394776      5.799703
  C      -1.948538      4.003539      6.081341
  C      -3.366469      4.512451      5.905937
  N      -3.972293      3.668168      4.883009
  H      -0.076894     -0.021127      5.092430
  H      -0.639994     -0.086818      6.775462
  H      -0.407742      2.309025      4.866448
  H       0.125405      2.224157      6.567870
  H      -3.942451      4.480201      6.842969
  H      -3.368104      5.556872      5.563124
  H      -1.434893      4.465628      6.938158
  H      -1.377666      4.219376      5.168164
  H      -3.897859      1.407080      8.897712
  H      -4.165659      3.056175      8.298020
  H      -1.866740      1.115681      7.817839
  H      -1.728771      2.803319      8.345464
  C      -6.099514      0.974502     -1.135407
  C      -5.406088      0.683184      0.160117
  O      -4.362153      1.277798      0.461071
  C      -6.008207     -0.309539      1.098661
  C      -7.267827     -0.906134      0.902410
  C      -7.805675     -1.746986      1.874060
  C      -7.100168     -1.985425      3.051325
  F      -7.663712     -2.758548      3.986147
  C      -5.837810     -1.410138      3.284790
  C      -5.029903     -1.650451      4.509469
  O      -5.068832     -2.662931      5.189733
  N      -4.093827     -0.620498      4.788643
  C      -2.901602     -0.918912      5.285638
  C      -5.312445     -0.606352      2.272501
  C      -9.832290      9.577004      0.013743
  C      -9.090685      8.302127      0.329359
  O      -9.384242      7.242881     -0.223747
  C      -7.990807      8.342925      1.340661
  C      -7.793430      9.431736      2.209399
  C      -6.794278      9.387944      3.175757
  C      -5.994831      8.251656      3.282503
  F      -5.028693      8.264564      4.222527
  C      -6.147127      7.149491      2.425952
  C      -5.367095      5.873329      2.471938
  O      -5.231726      5.201083      1.447890
  N      -4.845704      5.525120      3.726134
  C      -4.622687      4.244801      3.849190
  C      -7.145580      7.235715      1.449559
  C     -10.304164      3.804823     -0.298795
  C      -9.489298      2.782540      0.444680
  O      -9.318380      1.648312     -0.001078
  C      -8.885445      3.166079      1.762026
  C      -8.949386      4.475905      2.264459
  C      -8.376936      4.790956      3.493676
  C      -7.724774      3.793483      4.203096
  F      -7.209829      4.103258      5.417811
  C      -7.639977      2.470345      3.738479
  C      -7.119165      1.394097      4.629749
  O      -7.818420      0.456190      4.973979
  N      -5.818711      1.563266      5.171226
  C      -5.675806      1.555191      6.500703
  C      -8.255310      2.173137      2.521336
  H      -7.106124      1.376923     -0.932149
  H      -5.516952      1.701565     -1.709590
  H      -6.238421      0.053749     -1.722593
  H      -7.854026     -0.689495      0.009527
  H      -8.787665     -2.202902      1.747660
  H      -2.571609     -1.929751      5.563679
  H      -4.314008     -0.201597      2.404371
  H     -10.355540      9.951611      0.907252
  H      -9.135238     10.366836     -0.304350
  H     -10.564013      9.385588     -0.777824
  H      -8.424506     10.318144      2.140954
  H      -6.618772     10.223231      3.854056
  H      -4.980152      3.552354      3.076696
  H      -7.265738      6.394319      0.765404
  H     -10.640643      3.378330     -1.249248
  H      -9.728080      4.724770     -0.480444
  H     -11.179622      4.102447      0.299945
  H      -9.444058      5.262047      1.693655
  H      -8.428966      5.796381      3.910401
  H      -6.535563      1.612727      7.182219
  H      -8.252927      1.149325      2.150194
  N      -3.400920      1.678547      3.109931
  H      -3.603400      1.695280      2.079381
88
Coordinates from ORCA-job orca E -6669.277639025870
  N      -2.185064      0.180032      5.327312
  Mo     -3.620051      1.625123      4.822483
  N      -4.408208      1.581292      6.840394
  C      -3.750522      2.091935      8.016363
  C      -2.261816      2.129265      7.661496
  N      -1.963161      2.525839      6.224449
  C      -0.657877      1.908174      5.827221
  C      -0.826067      0.389682      5.771556
  C      -1.926592      4.007138      6.053097
  C      -3.340883      4.525720      5.884605
  N      -3.956450      3.683254      4.867865
  H      -0.103133     -0.034741      5.057046
  H      -0.648550     -0.091533      6.746594
  H      -0.412570      2.298308      4.831110
  H       0.135993      2.210685      6.527458
  H      -3.910934      4.496392      6.824732
  H      -3.338353      5.569731      5.540452
  H      -1.403342      4.468945      6.904139
  H      -1.362114      4.216033      5.134398
  H      -3.879960      1.435885      8.893749
  H      -4.137789      3.085308      8.290993
  H      -1.860347      1.120478      7.795981
  H      -1.701692      2.806916      8.322218
  C      -6.122892      0.891571     -1.136864
  C      -5.427354      0.607128      0.159715
  O      -4.385603      1.206850      0.458864
  C      -6.036622     -0.367897      1.111228
  C      -7.300356     -0.959007      0.926424
  C      -7.845244     -1.776081      1.915208
  C      -7.142001     -1.994526      3.097954
  F      -7.712150     -2.741439      4.050431
  C      -5.875427     -1.423056      3.318165
  C      -5.063462     -1.646442      4.541576
  O      -5.102246     -2.651790      5.233593
  N      -4.124790     -0.615303      4.806685
  C      -2.926966     -0.913358      5.286056
  C      -5.344157     -0.646606      2.290040
  C      -9.885238      9.564602      0.090493
  C      -9.118343      8.299775      0.386204
  O      -9.394111      7.242283     -0.178933
  C      -8.016468      8.347806      1.395335
  C      -7.840512      9.426804      2.280314
  C      -6.839476      9.389237      3.245105
  C      -6.015911      8.268609      3.332815
  F      -5.051042      8.287570      4.274074
  C      -6.145807      7.177287      2.457894
  C      -5.338616      5.916876      2.482773
  O      -5.190346      5.261209      1.450190
  N      -4.819891      5.548756      3.729483
  C      -4.609569      4.266913      3.842007
  C      -7.147593      7.257647      1.484630
  C     -10.150885      3.812437     -0.409364
  C      -9.363428      2.793829      0.368149
  O      -9.156077      1.665267     -0.076907
  C      -8.818282      3.180516      1.709918
  C      -8.922012      4.487013      2.213161
  C      -8.397225      4.807723      3.461830
  C      -7.754248      3.818115      4.190547
  F      -7.283349      4.132323      5.421533
  C      -7.634611      2.497482      3.728271
  C      -7.125314      1.431103      4.640490
  O      -7.830220      0.497621      4.985660
  N      -5.827059      1.593367      5.183260
  C      -5.678179      1.585769      6.512946
  C      -8.202766      2.194589      2.490471
  H      -7.109128      1.340078     -0.930372
  H      -5.520795      1.584511     -1.733055
  H      -6.305819     -0.034946     -1.701259
  H      -7.885500     -0.757097      0.029860
  H      -8.831190     -2.226001      1.798272
  H      -2.593373     -1.923744      5.561512
  H      -4.343743     -0.248168      2.413707
  H     -10.418296      9.914041      0.988372
  H      -9.203788     10.373533     -0.212877
  H     -10.611565      9.370766     -0.705484
  H      -8.491071     10.300042      2.226514
  H      -6.681691     10.216596      3.937293
  H      -4.980399      3.578358      3.071356
  H      -7.251869      6.424105      0.788847
  H     -10.450911      3.382280     -1.370241
  H      -9.566036      4.731148     -0.571709
  H     -11.047587      4.116935      0.152996
  H      -9.407589      5.267450      1.626393
  H      -8.478287      5.811199      3.878010
  H      -6.533609      1.649665      7.200063
  H      -8.173903      1.172116      2.116865
  N      -3.453789      1.670420      3.100155
  H      -3.665656      1.677791      2.071089
88
Coordinates from ORCA-job orca E -6669.278349900507
  N      -2.177036      0.196479      5.314059
  Mo     -3.619270      1.636077      4.812900
  N      -4.411051      1.578062      6.831300
  C      -3.754779      2.075860      8.013897
  C      -2.264730      2.122647      7.662332
  N      -1.965280      2.536586      6.231499
  C      -0.657088      1.930728      5.825817
  C      -0.816419      0.410780      5.753211
  C      -1.942166      4.019333      6.075780
  C      -3.361343      4.525262      5.898977
  N      -3.952599      3.690054      4.862135
  H      -0.094325     -0.001432      5.030723
  H      -0.631624     -0.079930      6.722163
  H      -0.416427      2.333065      4.833370
  H       0.136899      2.230369      6.527221
  H      -3.941798      4.472535      6.831591
  H      -3.367884      5.574432      5.571289
  H      -1.431291      4.478313      6.935812
  H      -1.373065      4.244302      5.163723
  H      -3.883209      1.408503      8.882799
  H      -4.146015      3.064355      8.300979
  H      -1.859541      1.114256      7.787535
  H      -1.709426      2.795161      8.332517
  C      -6.144084      0.836731     -1.152496
  C      -5.457026      0.586404      0.155845
  O      -4.427545      1.207145      0.455463
  C      -6.061503     -0.377812      1.120278
  C      -7.330109     -0.963351      0.953532
  C      -7.869718     -1.767740      1.955656
  C      -7.153149     -1.983041      3.131245
  F      -7.715183     -2.720720      4.095652
  C      -5.879909     -1.419037      3.331026
  C      -5.049254     -1.645598      4.540809
  O      -5.086458     -2.649053      5.236228
  N      -4.113549     -0.611514      4.801340
  C      -2.911836     -0.902617      5.270377
  C      -5.357349     -0.650930      2.293099
  C      -9.881421      9.562974      0.099077
  C      -9.101709      8.303979      0.386684
  O      -9.355984      7.251000     -0.196382
  C      -8.008067      8.353675      1.404827
  C      -7.857297      9.420509      2.308818
  C      -6.864770      9.382924      3.282460
  C      -6.023973      8.274399      3.358586
  F      -5.069194      8.291620      4.310305
  C      -6.127078      7.197110      2.462932
  C      -5.296291      5.952073      2.475349
  O      -5.114873      5.320049      1.433549
  N      -4.807386      5.561286      3.726236
  C      -4.593196      4.280489      3.827653
  C      -7.121825      7.276800      1.482597
  C     -10.138030      3.817024     -0.426171
  C      -9.366798      2.789247      0.355813
  O      -9.184603      1.653048     -0.080623
  C      -8.810496      3.174653      1.693306
  C      -8.890239      4.485550      2.189652
  C      -8.357529      4.803798      3.435717
  C      -7.731042      3.806329      4.168289
  F      -7.250745      4.117103      5.396916
  C      -7.633869      2.482100      3.711885
  C      -7.131580      1.416170      4.629327
  O      -7.853507      0.507565      5.005336
  N      -5.835593      1.579609      5.172871
  C      -5.682207      1.577056      6.504125
  C      -8.208561      2.182393      2.476923
  H      -7.132057      1.287955     -0.961650
  H      -5.540905      1.518480     -1.760557
  H      -6.322265     -0.102593     -1.696199
  H      -7.924841     -0.763772      0.062862
  H      -8.860246     -2.211183      1.854005
  H      -2.568567     -1.911242      5.540485
  H      -4.352608     -0.258696      2.401513
  H     -10.432295      9.890662      0.994411
  H      -9.207276     10.386046     -0.181580
  H     -10.593676      9.371247     -0.710022
  H      -8.522275     10.283287      2.263799
  H      -6.727477     10.200348      3.990611
  H      -4.945894      3.596841      3.044463
  H      -7.208272      6.453206      0.773354
  H     -10.453254      3.384585     -1.381187
  H      -9.534935      4.721785     -0.600972
  H     -11.024438      4.145955      0.138588
  H      -9.363508      5.270918      1.599231
  H      -8.419850      5.810836      3.846641
  H      -6.537269      1.634287      7.192190
  H      -8.195583      1.158169      2.106399
  N      -3.462488      1.679732      3.091250
  H      -3.666950      1.681469      2.060066
88
Coordinates from ORCA-job orca E -6669.279046575745
  N      -2.172564      0.210023      5.298216
  Mo     -3.625059      1.642935      4.806176
  N      -4.410159      1.570574      6.827331
  C      -3.748506      2.054473      8.013189
  C      -2.259704      2.110700      7.658666
  N      -1.966088      2.541849      6.233631
  C      -0.657399      1.947857      5.814412
  C      -0.808740      0.427731      5.725634
  C      -1.956819      4.025213      6.092660
  C      -3.380655      4.519354      5.911468
  N      -3.953829      3.690368      4.859449
  H      -0.091055      0.027946      4.991849
  H      -0.612175     -0.072627      6.687292
  H      -0.425362      2.362525      4.824962
  H       0.139888      2.243810      6.513755
  H      -3.967529      4.445531      6.838524
  H      -3.396295      5.572400      5.597531
  H      -1.455833      4.481733      6.959785
  H      -1.385473      4.264831      5.185752
  H      -3.872656      1.376045      8.874067
  H      -4.141361      3.038099      8.314942
  H      -1.850034      1.102906      7.772727
  H      -1.706391      2.777625      8.336277
  C      -6.134300      0.778080     -1.178923
  C      -5.466274      0.572687      0.146450
  O      -4.451289      1.216859      0.446281
  C      -6.066106     -0.384903      1.121068
  C      -7.333816     -0.973401      0.959047
  C      -7.873047     -1.770233      1.967235
  C      -7.154074     -1.980426      3.142128
  F      -7.714179     -2.713577      4.110760
  C      -5.880163     -1.416666      3.336814
  C      -5.045373     -1.643408      4.544779
  O      -5.073724     -2.651342      5.234432
  N      -4.110254     -0.608914      4.800780
  C      -2.900953     -0.893940      5.254139
  C      -5.359924     -0.648988      2.295980
  C      -9.871121      9.563269      0.089239
  C      -9.087925      8.306310      0.375934
  O      -9.336767      7.253332     -0.209201
  C      -8.000467      8.356978      1.401230
  C      -7.862465      9.418401      2.313742
  C      -6.877523      9.379312      3.295248
  C      -6.031643      8.274608      3.370221
  F      -5.084985      8.287826      4.330257
  C      -6.120803      7.204733      2.465033
  C      -5.281721      5.966426      2.475591
  O      -5.066462      5.355661      1.427890
  N      -4.809160      5.566100      3.730069
  C      -4.589372      4.286577      3.822949
  C      -7.108049      7.285108      1.477396
  C     -10.124951      3.829998     -0.424333
  C      -9.362006      2.799549      0.362644
  O      -9.193569      1.658257     -0.065636
  C      -8.808214      3.185758      1.700518
  C      -8.883495      4.498748      2.192397
  C      -8.359419      4.817007      3.442086
  C      -7.743349      3.817966      4.181269
  F      -7.269580      4.129272      5.412628
  C      -7.648573      2.492426      3.728534
  C      -7.155145      1.428964      4.654287
  O      -7.880089      0.522022      5.030056
  N      -5.854025      1.583664      5.182716
  C      -5.684448      1.565205      6.513036
  C      -8.214059      2.192184      2.489534
  H      -7.126106      1.231734     -1.014491
  H      -5.526034      1.444282     -1.799069
  H      -6.302592     -0.178102     -1.695478
  H      -7.929240     -0.779355      0.067491
  H      -8.863612     -2.214348      1.869352
  H      -2.546580     -1.901183      5.515253
  H      -4.354940     -0.253957      2.401139
  H     -10.431069      9.881944      0.982236
  H      -9.198763     10.391512     -0.180016
  H     -10.575739      9.372874     -0.726837
  H      -8.532460     10.277350      2.269797
  H      -6.750859     10.192075      4.010708
  H      -4.929686      3.606558      3.031679
  H      -7.186039      6.465348      0.762109
  H     -10.447688      3.394879     -1.375639
  H      -9.512839      4.726504     -0.608169
  H     -11.005791      4.171439      0.141599
  H      -9.348461      5.284899      1.596373
  H      -8.420264      5.825133      3.850591
  H      -6.531910      1.612000      7.210884
  H      -8.202507      1.167232      2.120908
  N      -3.489923      1.681190      3.084257
  H      -3.701171      1.674118      2.054162
88
Coordinates from ORCA-job orca E -6669.279846929681
  N      -2.183749      0.223320      5.282175
  Mo     -3.639370      1.657704      4.801625
  N      -4.409867      1.579374      6.826452
  C      -3.741080      2.048588      8.014221
  C      -2.253604      2.103863      7.654591
  N      -1.965596      2.546905      6.233822
  C      -0.661567      1.955850      5.799039
  C      -0.815028      0.436913      5.694358
  C      -1.961996      4.030013      6.102871
  C      -3.387169      4.520352      5.915934
  N      -3.949538      3.698278      4.852438
  H      -0.105923      0.045657      4.947711
  H      -0.607174     -0.073995      6.648030
  H      -0.437154      2.381199      4.812322
  H       0.142476      2.242524      6.494637
  H      -3.979799      4.431092      6.837615
  H      -3.405448      5.576145      5.612314
  H      -1.468651      4.484178      6.975560
  H      -1.387082      4.278349      5.200615
  H      -3.865290      1.363056      8.869396
  H      -4.129374      3.030617      8.327365
  H      -1.845809      1.094226      7.759198
  H      -1.696811      2.762612      8.337550
  C      -6.125270      0.718941     -1.193402
  C      -5.474060      0.544399      0.143970
  O      -4.467579      1.201719      0.444532
  C      -6.078663     -0.400751      1.128471
  C      -7.348777     -0.985041      0.971063
  C      -7.893506     -1.768844      1.986917
  C      -7.176404     -1.971294      3.164341
  F      -7.740182     -2.692671      4.139706
  C      -5.900149     -1.411972      3.354318
  C      -5.064848     -1.631919      4.563396
  O      -5.089821     -2.638115      5.255974
  N      -4.128592     -0.596715      4.809014
  C      -2.911327     -0.880361      5.243013
  C      -5.374749     -0.655461      2.307312
  C      -9.883452      9.561002      0.117281
  C      -9.087792      8.310328      0.395940
  O      -9.327466      7.257216     -0.192530
  C      -8.000622      8.366976      1.422016
  C      -7.875584      9.421717      2.344154
  C      -6.891665      9.384661      3.327014
  C      -6.034541      8.288069      3.393848
  F      -5.089679      8.300054      4.355689
  C      -6.110114      7.226690      2.478430
  C      -5.256665      5.999306      2.479610
  O      -5.019997      5.407921      1.425993
  N      -4.795683      5.584264      3.734613
  C      -4.579187      4.304092      3.815772
  C      -7.095846      7.304857      1.489363
  C     -10.092355      3.813979     -0.452328
  C      -9.333562      2.786310      0.342759
  O      -9.163962      1.642908     -0.079527
  C      -8.784890      3.179153      1.680134
  C      -8.865399      4.494437      2.164990
  C      -8.348203      4.819775      3.415719
  C      -7.733546      3.825439      4.162356
  F      -7.264450      4.144155      5.393469
  C      -7.635143      2.497702      3.718044
  C      -7.148599      1.440471      4.655600
  O      -7.881422      0.544913      5.043679
  N      -5.848541      1.594323      5.184304
  C      -5.683475      1.572103      6.516330
  C      -8.191399      2.190399      2.476352
  H      -7.111626      1.192632     -1.050958
  H      -5.502361      1.359267     -1.826178
  H      -6.303365     -0.249267     -1.683373
  H      -7.940842     -0.797616      0.075693
  H      -8.885579     -2.210093      1.892081
  H      -2.549941     -1.887445      5.495357
  H      -4.367827     -0.263633      2.409810
  H     -10.449992      9.864372      1.011500
  H      -9.219180     10.399039     -0.141137
  H     -10.583219      9.370181     -0.702902
  H      -8.555212     10.273437      2.306830
  H      -6.775167     10.192385      4.049858
  H      -4.913475      3.629839      3.017857
  H      -7.164212      6.491305      0.765489
  H     -10.415605      3.373936     -1.401189
  H      -9.476543      4.706101     -0.643062
  H     -10.971864      4.161894      0.111502
  H      -9.328962      5.276929      1.563084
  H      -8.413271      5.829638      3.819163
  H      -6.531351      1.612874      7.213590
  H      -8.176297      1.163709      2.113131
  N      -3.536713      1.681347      3.078253
  H      -3.766556      1.660732      2.051501
88
Coordinates from ORCA-job orca E -6669.280611303863
  N      -2.186230      0.237111      5.264426
  Mo     -3.647722      1.669957      4.795713
  N      -4.408427      1.578585      6.821966
  C      -3.736008      2.025887      8.015955
  C      -2.250069      2.085854      7.654054
  N      -1.968299      2.549489      6.240542
  C      -0.665556      1.969481      5.791057
  C      -0.814914      0.451478      5.665996
  C      -1.977318      4.033448      6.125397
  C      -3.404745      4.514946      5.926349
  N      -3.949294      3.701412      4.846115
  H      -0.110463      0.074349      4.907681
  H      -0.596018     -0.071568      6.610584
  H      -0.447725      2.409330      4.809160
  H       0.142473      2.247721      6.485623
  H      -4.007972      4.405939      6.838614
  H      -3.427630      5.574218      5.636135
  H      -1.499429      4.484744      7.008117
  H      -1.394172      4.296999      5.232812
  H      -3.861606      1.327531      8.860437
  H      -4.121366      3.003613      8.346338
  H      -1.840946      1.074981      7.743800
  H      -1.692405      2.734138      8.346401
  C      -6.135118      0.663851     -1.204177
  C      -5.490422      0.507096      0.137965
  O      -4.491538      1.176566      0.437997
  C      -6.094259     -0.429684      1.130919
  C      -7.369929     -1.005056      0.987126
  C      -7.914688     -1.773676      2.014500
  C      -7.191789     -1.968884      3.189680
  F      -7.756660     -2.670706      4.178525
  C      -5.909346     -1.419975      3.365274
  C      -5.066753     -1.631037      4.571683
  O      -5.089932     -2.630522      5.273730
  N      -4.135340     -0.589043      4.807987
  C      -2.911367     -0.868147      5.226986
  C      -5.383425     -0.680781      2.306357
  C      -9.905189      9.532966      0.137593
  C      -9.093021      8.292044      0.410971
  O      -9.317098      7.238264     -0.182092
  C      -8.004409      8.361187      1.435088
  C      -7.896040      9.411346      2.364491
  C      -6.911307      9.383632      3.346684
  C      -6.036908      8.300484      3.405904
  F      -5.091412      8.319440      4.366816
  C      -6.094877      7.244766      2.482910
  C      -5.220718      6.032344      2.476605
  O      -4.966523      5.456617      1.418833
  N      -4.778707      5.600245      3.735622
  C      -4.567678      4.319072      3.807231
  C      -7.081892      7.313278      1.494112
  C     -10.051701      3.827555     -0.477585
  C      -9.296319      2.803555      0.325776
  O      -9.118395      1.660399     -0.094216
  C      -8.757366      3.200550      1.665624
  C      -8.840741      4.517502      2.146485
  C      -8.331122      4.845628      3.400064
  C      -7.719804      3.853255      4.152371
  F      -7.258677      4.174190      5.386203
  C      -7.619819      2.524834      3.711934
  C      -7.140422      1.469041      4.653828
  O      -7.881539      0.583559      5.048969
  N      -5.839781      1.615471      5.183184
  C      -5.680946      1.573037      6.515455
  C      -8.169586      2.214025      2.468277
  H      -7.118386      1.147867     -1.072451
  H      -5.506161      1.290306     -1.844844
  H      -6.318626     -0.310865     -1.678665
  H      -7.965276     -0.819308      0.093644
  H      -8.911548     -2.206458      1.931485
  H      -2.542261     -1.874801      5.470184
  H      -4.372506     -0.298275      2.398140
  H     -10.478266      9.820693      1.032910
  H      -9.252122     10.382311     -0.112192
  H     -10.600144      9.338274     -0.685768
  H      -8.589310     10.252261      2.333301
  H      -6.807609     10.188686      4.074447
  H      -4.888757      3.651920      2.998473
  H      -7.138496      6.504208      0.763714
  H     -10.365332      3.385005     -1.428580
  H      -9.437102      4.720551     -0.666092
  H     -10.936637      4.172027      0.079577
  H      -9.299406      5.299358      1.540005
  H      -8.399483      5.856100      3.801348
  H      -6.529733      1.603020      7.211843
  H      -8.152048      1.186419      2.108828
  N      -3.573585      1.681052      3.070395
  H      -3.829730      1.645227      2.048778
88
Coordinates from ORCA-job orca E -6669.281341179326
  N      -2.185345      0.254604      5.237756
  Mo     -3.654022      1.685825      4.787703
  N      -4.405824      1.576631      6.814224
  C      -3.728621      2.004923      8.012760
  C      -2.243244      2.070135      7.647960
  N      -1.966102      2.555626      6.242000
  C      -0.665078      1.986386      5.776934
  C      -0.811153      0.469627      5.628582
  C      -1.985343      4.040319      6.144437
  C      -3.414101      4.515174      5.937663
  N      -3.945341      3.711915      4.842154
  H      -0.111802      0.107432      4.858322
  H      -0.581283     -0.066783      6.563069
  H      -0.453271      2.442340      4.801001
  H       0.147131      2.254418      6.470790
  H      -4.025339      4.387380      6.841872
  H      -3.441280      5.578111      5.661945
  H      -1.520360      4.486562      7.036605
  H      -1.395648      4.319751      5.261085
  H      -3.853607      1.293855      8.846592
  H      -4.111863      2.977800      8.359932
  H      -1.833393      1.058010      7.721531
  H      -1.684841      2.707222      8.350224
  C      -6.146419      0.618775     -1.202043
  C      -5.514451      0.481618      0.148008
  O      -4.522386      1.160697      0.450981
  C      -6.118296     -0.447798      1.145964
  C      -7.398342     -1.016219      1.014821
  C      -7.941017     -1.771585      2.053069
  C      -7.210615     -1.961450      3.224791
  F      -7.772902     -2.649884      4.224821
  C      -5.922269     -1.422014      3.385079
  C      -5.065878     -1.628972      4.582244
  O      -5.079304     -2.625706      5.288010
  N      -4.138535     -0.580424      4.804598
  C      -2.905998     -0.853627      5.202375
  C      -5.400347     -0.695779      2.316629
  C      -9.902207      9.537183      0.144480
  C      -9.078373      8.303592      0.416191
  O      -9.287871      7.250129     -0.182964
  C      -7.998627      8.377950      1.449341
  C      -7.910184      9.421306      2.388343
  C      -6.933388      9.396959      3.378660
  C      -6.046891      8.323650      3.436075
  F      -5.108438      8.345384      4.403630
  C      -6.085420      7.274777      2.503948
  C      -5.198410      6.071566      2.493588
  O      -4.911348      5.520892      1.431914
  N      -4.766578      5.625177      3.751650
  C      -4.556563      4.344191      3.806264
  C      -7.064950      7.339886      1.507496
  C     -10.018611      3.807608     -0.511533
  C      -9.270622      2.785250      0.300945
  O      -9.091845      1.640118     -0.113871
  C      -8.739056      3.186857      1.642123
  C      -8.824355      4.506269      2.115612
  C      -8.321180      4.840324      3.370182
  C      -7.715344      3.851265      4.130890
  F      -7.257932      4.177702      5.364806
  C      -7.614568      2.520751      3.698273
  C      -7.141997      1.470997      4.650637
  O      -7.886829      0.590517      5.050367
  N      -5.842465      1.616661      5.181635
  C      -5.680043      1.565261      6.513894
  C      -8.157623      2.203513      2.453325
  H      -7.123383      1.119723     -1.085353
  H      -5.505558      1.225537     -1.849904
  H      -6.340706     -0.361854     -1.658955
  H      -7.997952     -0.832770      0.123786
  H      -8.941861     -2.197345      1.981701
  H      -2.527317     -1.859503      5.434167
  H      -4.385326     -0.322937      2.397447
  H     -10.487967      9.809262      1.036573
  H      -9.257014     10.396605     -0.090631
  H     -10.586598      9.341792     -0.687480
  H      -8.612520     10.254650      2.357929
  H      -6.844833     10.197723      4.113110
  H      -4.869062      3.686633      2.986074
  H      -7.108288      6.536288      0.770841
  H     -10.328394      3.361039     -1.461899
  H      -9.398728      4.697143     -0.701293
  H     -10.904709      4.159163      0.039020
  H      -9.277601      5.286272      1.502485
  H      -8.390752      5.852834      3.765915
  H      -6.526362      1.581124      7.213610
  H      -8.138985      1.173989      2.099718
  N      -3.615732      1.684412      3.060455
  H      -3.903077      1.633105      2.045731
88
Coordinates from ORCA-job orca E -6669.282096630928
  N      -2.186347      0.268043      5.219379
  Mo     -3.656681      1.701802      4.782421
  N      -4.402380      1.576801      6.812010
  C      -3.722559      1.983582      8.016297
  C      -2.237692      2.052286      7.650199
  N      -1.964413      2.558107      6.251894
  C      -0.664900      1.997677      5.773760
  C      -0.809411      0.481942      5.603320
  C      -1.990660      4.043571      6.173876
  C      -3.420326      4.514208      5.956603
  N      -3.934234      3.725676      4.840777
  H      -0.114303      0.132866      4.823226
  H      -0.571552     -0.067523      6.528186
  H      -0.456958      2.467977      4.803764
  H       0.150640      2.255692      6.467679
  H      -4.042558      4.366532      6.850228
  H      -3.450702      5.581558      5.698872
  H      -1.539522      4.481843      7.077073
  H      -1.392079      4.339076      5.301873
  H      -3.848134      1.258637      8.837964
  H      -4.103112      2.951225      8.380817
  H      -1.828411      1.039048      7.708082
  H      -1.677827      2.678393      8.361315
  C      -6.180490      0.578148     -1.213363
  C      -5.554711      0.469583      0.141986
  O      -4.578409      1.172437      0.443052
  C      -6.146206     -0.457450      1.148220
  C      -7.424629     -1.032197      1.027683
  C      -7.958126     -1.782437      2.073914
  C      -7.219450     -1.962744      3.241824
  F      -7.772833     -2.647690      4.249551
  C      -5.931500     -1.419587      3.390971
  C      -5.066309     -1.621934      4.583319
  O      -5.069225     -2.620457      5.286336
  N      -4.141135     -0.571064      4.799274
  C      -2.905637     -0.841879      5.184223
  C      -5.419351     -0.696021      2.315705
  C      -9.904474      9.501993      0.141926
  C      -9.055692      8.284339      0.408357
  O      -9.236323      7.232922     -0.203918
  C      -7.990353      8.369615      1.455109
  C      -7.939621      9.401068      2.409866
  C      -6.975029      9.386663      3.412277
  C      -6.062247      8.335569      3.464878
  F      -5.136467      8.365137      4.444351
  C      -6.062480      7.300318      2.517062
  C      -5.144881      6.120429      2.501687
  O      -4.820059      5.597959      1.437493
  N      -4.734903      5.654707      3.760268
  C      -4.528639      4.373488      3.801290
  C      -7.031749      7.354134      1.509930
  C      -9.998984      3.807702     -0.530219
  C      -9.266520      2.783936      0.294276
  O      -9.106632      1.630887     -0.106005
  C      -8.726694      3.193374      1.629872
  C      -8.795489      4.518420      2.089473
  C      -8.287717      4.859261      3.340332
  C      -7.693298      3.871083      4.110913
  F      -7.230801      4.204788      5.341118
  C      -7.607564      2.535012      3.691051
  C      -7.147076      1.490443      4.655423
  O      -7.902285      0.624252      5.067280
  N      -5.845816      1.626323      5.182710
  C      -5.677430      1.566019      6.514849
  C      -8.156098      2.211440      2.450305
  H      -7.161087      1.074594     -1.108440
  H      -5.541550      1.178877     -1.868685
  H      -6.366621     -0.411295     -1.654179
  H      -8.029431     -0.856637      0.138465
  H      -8.957846     -2.212215      2.011631
  H      -2.522370     -1.847983      5.407561
  H      -4.404335     -0.319721      2.388275
  H     -10.508652      9.747175      1.029610
  H      -9.276960     10.379744     -0.072082
  H     -10.572974      9.302580     -0.701879
  H      -8.662337     10.216912      2.382443
  H      -6.916031     10.178436      4.159325
  H      -4.828365      3.726258      2.967947
  H      -7.047649      6.559671      0.762571
  H     -10.317743      3.353536     -1.473940
  H      -9.364435      4.684251     -0.732221
  H     -10.878135      4.181982      0.016574
  H      -9.239493      5.297359      1.468447
  H      -8.345402      5.876475      3.725811
  H      -6.522118      1.573832      7.216574
  H      -8.150548      1.178077      2.107320
  N      -3.639328      1.693247      3.054524
  H      -3.940065      1.631347      2.043524
88
Coordinates from ORCA-job orca E -6669.282838436824
  N      -2.179130      0.282167      5.194873
  Mo     -3.657391      1.712599      4.774028
  N      -4.396056      1.565722      6.807992
  C      -3.716037      1.953540      8.017863
  C      -2.231721      2.031799      7.650872
  N      -1.965264      2.560288      6.260812
  C      -0.665015      2.014654      5.770669
  C      -0.801711      0.500522      5.576071
  C      -2.002667      4.046138      6.203481
  C      -3.432575      4.509983      5.973550
  N      -3.928811      3.735978      4.838720
  H      -0.107984      0.168774      4.787281
  H      -0.555430     -0.062377      6.490575
  H      -0.460616      2.501213      4.807883
  H       0.151924      2.264358      6.466134
  H      -4.066567      4.344412      6.855855
  H      -3.467411      5.581205      5.732557
  H      -1.568824      4.476489      7.118891
  H      -1.393438      4.360095      5.345467
  H      -3.839158      1.213648      8.826357
  H      -4.097960      2.914123      8.399395
  H      -1.818933      1.019365      7.690676
  H      -1.672418      2.648623      8.370557
  C      -6.217499      0.552814     -1.219660
  C      -5.593706      0.464255      0.138177
  O      -4.629270      1.185202      0.435875
  C      -6.170897     -0.463607      1.150524
  C      -7.449805     -1.040671      1.043918
  C      -7.971596     -1.787832      2.097769
  C      -7.219889     -1.965585      3.257597
  F      -7.763594     -2.646829      4.273478
  C      -5.930016     -1.423378      3.391988
  C      -5.050884     -1.626997      4.574539
  O      -5.044094     -2.627086      5.275283
  N      -4.131207     -0.571044      4.785110
  C      -2.891546     -0.833569      5.157808
  C      -5.431146     -0.699206      2.310693
  C      -9.878006      9.477360      0.093885
  C      -9.010414      8.273283      0.361345
  O      -9.147205      7.232901     -0.280770
  C      -7.976520      8.359567      1.438371
  C      -7.979938      9.370331      2.416245
  C      -7.043315      9.359363      3.444913
  C      -6.102886      8.333274      3.498979
  F      -5.205002      8.364649      4.504044
  C      -6.048994      7.319972      2.529330
  C      -5.098581      6.166253      2.513939
  O      -4.725128      5.679137      1.449715
  N      -4.712256      5.680237      3.772529
  C      -4.506401      4.399519      3.798242
  C      -6.992853      7.368318      1.497822
  C      -9.997346      3.822659     -0.520953
  C      -9.279697      2.793919      0.309778
  O      -9.144705      1.633973     -0.079158
  C      -8.725094      3.205270      1.639201
  C      -8.768732      4.534703      2.088789
  C      -8.250932      4.875906      3.335405
  C      -7.668414      3.884270      4.110389
  F      -7.195773      4.219579      5.336240
  C      -7.604682      2.544003      3.698069
  C      -7.152428      1.499487      4.665287
  O      -7.915660      0.644656      5.087107
  N      -5.849712      1.626106      5.187305
  C      -5.671821      1.549072      6.516984
  C      -8.166842      2.220099      2.463979
  H      -7.200798      1.044579     -1.120796
  H      -5.581685      1.149904     -1.881326
  H      -6.397502     -0.442714     -1.649039
  H      -8.063786     -0.867019      0.160662
  H      -8.972199     -2.217228      2.047997
  H      -2.499605     -1.838351      5.372079
  H      -4.415147     -0.322163      2.372506
  H     -10.517419      9.687531      0.965779
  H      -9.265192     10.374419     -0.078683
  H     -10.513268      9.282871     -0.776285
  H      -8.723763     10.166787      2.386436
  H      -7.026910     10.135060      4.210734
  H      -4.790633      3.764108      2.949725
  H      -6.968743      6.588611      0.734980
  H     -10.329706      3.364404     -1.457929
  H      -9.347372      4.685218     -0.733754
  H     -10.866700      4.220295      0.025247
  H      -9.201539      5.316258      1.463317
  H      -8.291825      5.896347      3.714288
  H      -6.513236      1.542843      7.222982
  H      -8.180598      1.184058      2.129078
  N      -3.659112      1.701383      3.044877
  H      -3.976509      1.628666      2.039898
88
Coordinates from ORCA-job orca E -6669.283556488766
  N      -2.182316      0.296808      5.167591
  Mo     -3.667006      1.727928      4.770290
  N      -4.390650      1.561453      6.810640
  C      -3.705124      1.928671      8.023502
  C      -2.222617      2.012361      7.649764
  N      -1.967524      2.562319      6.266633
  C      -0.669658      2.028369      5.759005
  C      -0.802550      0.516598      5.540884
  C      -2.013620      4.048123      6.229311
  C      -3.444135      4.508411      5.992885
  N      -3.927577      3.749262      4.842167
  H      -0.114257      0.200767      4.740849
  H      -0.545638     -0.059974      6.443846
  H      -0.472549      2.530269      4.802510
  H       0.152160      2.268741      6.452152
  H      -4.086212      4.327059      6.866318
  H      -3.481937      5.583041      5.767833
  H      -1.591261      4.469757      7.154106
  H      -1.398117      4.378200      5.381876
  H      -3.825233      1.175733      8.820216
  H      -4.084260      2.883633      8.421723
  H      -1.809141      0.999727      7.670415
  H      -1.658958      2.618494      8.375120
  C      -6.247096      0.533225     -1.222385
  C      -5.630892      0.463385      0.140173
  O      -4.679573      1.201163      0.439589
  C      -6.197396     -0.467555      1.154814
  C      -7.474137     -1.050807      1.055415
  C      -7.987116     -1.797824      2.113728
  C      -7.227753     -1.970810      3.269371
  F      -7.763104     -2.652517      4.289613
  C      -5.939135     -1.423906      3.395359
  C      -5.050316     -1.624925      4.571024
  O      -5.033629     -2.626865      5.269287
  N      -4.133939     -0.565318      4.775163
  C      -2.888192     -0.821990      5.131030
  C      -5.450023     -0.698430      2.310824
  C      -9.859200      9.449118      0.067200
  C      -8.969249      8.261593      0.335518
  O      -9.073119      7.225720     -0.319990
  C      -7.957821      8.355931      1.432855
  C      -8.003998      9.351704      2.424850
  C      -7.087264      9.347611      3.471605
  C      -6.123474      8.343576      3.528648
  F      -5.246627      8.378830      4.552064
  C      -6.027065      7.346936      2.545298
  C      -5.051590      6.214592      2.531777
  O      -4.642019      5.754339      1.469261
  N      -4.686822      5.708816      3.788881
  C      -4.488368      4.427324      3.799432
  C      -6.952276      7.387532      1.496873
  C      -9.988068      3.812940     -0.525507
  C      -9.278400      2.785429      0.313550
  O      -9.155247      1.620676     -0.064530
  C      -8.717602      3.203825      1.638406
  C      -8.748923      4.537436      2.076042
  C      -8.228074      4.885090      3.319434
  C      -7.652850      3.895693      4.102644
  F      -7.178945      4.237837      5.325673
  C      -7.599126      2.551492      3.701337
  C      -7.153158      1.512471      4.677107
  O      -7.920813      0.663923      5.104662
  N      -5.849650      1.634336      5.195877
  C      -5.666840      1.545279      6.524814
  C      -8.166361      2.221341      2.471277
  H      -7.234614      1.018324     -1.134080
  H      -5.612200      1.128672     -1.886426
  H      -6.417031     -0.467911     -1.642552
  H      -8.093591     -0.880472      0.175348
  H      -8.986506     -2.230770      2.070816
  H      -2.487692     -1.825704      5.334487
  H      -4.435066     -0.317579      2.366670
  H     -10.521471      9.631721      0.928247
  H      -9.264801     10.362892     -0.080008
  H     -10.471870      9.252330     -0.818511
  H      -8.766522     10.130103      2.392443
  H      -7.104567     10.111327      4.249353
  H      -4.759361      3.803570      2.938037
  H      -6.896850      6.618753      0.724720
  H     -10.325098      3.349191     -1.458083
  H      -9.331374      4.668663     -0.745428
  H     -10.854080      4.222762      0.017091
  H      -9.175438      5.316730      1.443657
  H      -8.261754      5.908818      3.689977
  H      -6.506345      1.528750      7.232933
  H      -8.189821      1.182395      2.145944
  N      -3.690134      1.718069      3.040687
  H      -4.021313      1.638914      2.040419
88
Coordinates from ORCA-job orca E -6669.284277223974
  N      -2.189765      0.311462      5.144781
  Mo     -3.681634      1.741098      4.766848
  N      -4.390303      1.563019      6.813848
  C      -3.698607      1.916195      8.027309
  C      -2.217520      2.000814      7.647018
  N      -1.972732      2.566060      6.268636
  C      -0.677818      2.041013      5.746800
  C      -0.808400      0.532411      5.511755
  C      -2.024080      4.051127      6.245275
  C      -3.452755      4.510980      6.000941
  N      -3.927473      3.762263      4.840429
  H      -0.125009      0.228946      4.702700
  H      -0.543074     -0.054830      6.405327
  H      -0.486750      2.554123      4.794908
  H       0.148460      2.274224      6.437239
  H      -4.102564      4.323048      6.867440
  H      -3.489309      5.587576      5.784926
  H      -1.612017      4.466189      7.177684
  H      -1.401413      4.392115      5.407386
  H      -3.817057      1.155701      8.816877
  H      -4.073691      2.868837      8.434826
  H      -1.805422      0.987407      7.652297
  H      -1.648355      2.598552      8.374895
  C      -6.275032      0.510209     -1.223163
  C      -5.662021      0.454381      0.141742
  O      -4.717391      1.201550      0.439105
  C      -6.221203     -0.477043      1.159951
  C      -7.496592     -1.064009      1.067082
  C      -8.002892     -1.810584      2.129274
  C      -7.237486     -1.979793      3.281598
  F      -7.766428     -2.661288      4.305306
  C      -5.949910     -1.429198      3.400536
  C      -5.053439     -1.626112      4.570714
  O      -5.029222     -2.628658      5.268699
  N      -4.140557     -0.562915      4.768668
  C      -2.889157     -0.811627      5.110837
  C      -5.468149     -0.703510      2.313011
  C      -9.852208      9.421886      0.061625
  C      -8.941452      8.249759      0.328350
  O      -9.019300      7.217672     -0.336403
  C      -7.943676      8.353043      1.437592
  C      -8.024631      9.333748      2.442091
  C      -7.121564      9.335455      3.500904
  C      -6.136214      8.352362      3.556541
  F      -5.274927      8.389769      4.593052
  C      -6.004100      7.373482      2.559767
  C      -5.007051      6.260404      2.544727
  O      -4.567295      5.826455      1.483050
  N      -4.658770      5.734781      3.798111
  C      -4.470030      4.452205      3.796120
  C      -6.917094      7.407403      1.500516
  C      -9.962871      3.807046     -0.539756
  C      -9.267062      2.778593      0.309837
  O      -9.156776      1.609365     -0.057961
  C      -8.703642      3.202417      1.631906
  C      -8.722627      4.539934      2.058317
  C      -8.202576      4.892980      3.300314
  C      -7.637065      3.904967      4.092633
  F      -7.165637      4.252891      5.314280
  C      -7.592591      2.557536      3.701743
  C      -7.152322      1.522276      4.683634
  O      -7.923754      0.677810      5.113861
  N      -5.850495      1.643516      5.203552
  C      -5.666405      1.546301      6.532345
  C      -8.161860      2.222130      2.473952
  H      -7.263140      0.995255     -1.143144
  H      -5.638780      1.099481     -1.891463
  H      -6.442655     -0.495334     -1.633492
  H      -8.120558     -0.896842      0.189641
  H      -9.001399     -2.246060      2.091859
  H      -2.479613     -1.813289      5.306576
  H      -4.454512     -0.319194      2.364162
  H     -10.529520      9.582400      0.915369
  H      -9.275414     10.349398     -0.068733
  H     -10.449348      9.221395     -0.833870
  H      -8.804930     10.094367      2.411128
  H      -7.166541     10.086508      4.289804
  H      -4.730938      3.838620      2.924731
  H      -6.836780      6.649293      0.720097
  H     -10.302298      3.339624     -1.469626
  H      -9.296643      4.654319     -0.763657
  H     -10.826687      4.230344     -0.003904
  H      -9.140561      5.317311      1.418158
  H      -8.230253      5.919551      3.663312
  H      -6.504811      1.522020      7.241564
  H      -8.194544      1.180614      2.157732
  N      -3.723109      1.731944      3.037243
  H      -4.067132      1.645868      2.041744
88
Coordinates from ORCA-job orca E -6669.284973442721
  N      -2.192001      0.328408      5.122584
  Mo     -3.698400      1.747967      4.761137
  N      -4.394061      1.557840      6.812593
  C      -3.697103      1.902437      8.025908
  C      -2.217959      1.993792      7.639998
  N      -1.983983      2.573901      6.266501
  C      -0.688947      2.063802      5.731522
  C      -0.809866      0.557392      5.482052
  C      -2.049296      4.057656      6.256239
  C      -3.479441      4.508164      6.003240
  N      -3.938306      3.765409      4.833306
  H      -0.130239      0.267948      4.664622
  H      -0.533503     -0.037388      6.367233
  H      -0.507304      2.587663      4.783564
  H       0.140482      2.295877      6.418725
  H      -4.135945      4.309416      6.862242
  H      -3.520990      5.586206      5.795457
  H      -1.649940      4.468768      7.195938
  H      -1.422185      4.412575      5.427490
  H      -3.811322      1.136058      8.810202
  H      -4.072360      2.852045      8.440485
  H      -1.803206      0.981390      7.632441
  H      -1.646752      2.586219      8.370547
  C      -6.288064      0.483294     -1.218441
  C      -5.679782      0.441005      0.149074
  O      -4.742924      1.198021      0.445545
  C      -6.233975     -0.490026      1.171082
  C      -7.508637     -1.078919      1.084901
  C      -8.008557     -1.826303      2.150088
  C      -7.236601     -1.994867      3.298443
  F      -7.758523     -2.677753      4.324670
  C      -5.949752     -1.441414      3.410218
  C      -5.044370     -1.635158      4.573811
  O      -5.011607     -2.637759      5.272155
  N      -4.137705     -0.566579      4.764238
  C      -2.878437     -0.801015      5.093982
  C      -5.475116     -0.713929      2.320716
  C      -9.837783      9.426606      0.061801
  C      -8.922012      8.258118      0.327369
  O      -8.989537      7.229235     -0.342963
  C      -7.929435      8.362538      1.441897
  C      -8.025282      9.333455      2.454384
  C      -7.128717      9.334025      3.518856
  C      -6.135029      8.359206      3.571704
  F      -5.280282      8.393383      4.613784
  C      -5.987237      7.391844      2.566218
  C      -4.980552      6.288250      2.548706
  O      -4.520206      5.873764      1.487837
  N      -4.648502      5.745340      3.798962
  C      -4.463511      4.462669      3.784660
  C      -6.894176      7.426300      1.501740
  C      -9.942052      3.806048     -0.549684
  C      -9.262372      2.773609      0.308617
  O      -9.162905      1.601669     -0.053377
  C      -8.697725      3.198713      1.629381
  C      -8.706412      4.538466      2.049792
  C      -8.187682      4.892877      3.291820
  C      -7.631629      3.903678      4.089873
  F      -7.162401      4.253367      5.311684
  C      -7.595368      2.554722      3.704675
  C      -7.158922      1.519266      4.688256
  O      -7.931737      0.674429      5.116166
  N      -5.858398      1.640979      5.208324
  C      -5.670838      1.534670      6.536972
  C      -8.164589      2.218220      2.476965
  H      -7.277492      0.967121     -1.147798
  H      -5.650447      1.068202     -1.889388
  H      -6.451116     -0.526492     -1.620021
  H      -8.137531     -0.913025      0.210723
  H      -9.006518     -2.263358      2.117727
  H      -2.454288     -1.797688      5.284357
  H      -4.462634     -0.326334      2.366947
  H     -10.522999      9.577579      0.910930
  H      -9.266034     10.358651     -0.057969
  H     -10.426587      9.227702     -0.839639
  H      -8.812530     10.087031      2.425557
  H      -7.185192     10.077179      4.314474
  H      -4.709565      3.856427      2.904356
  H      -6.803030      6.676004      0.714706
  H     -10.280266      3.339084     -1.480289
  H      -9.266874      4.646286     -0.772557
  H     -10.805787      4.238058     -0.020688
  H      -9.116500      5.315943      1.404657
  H      -8.209902      5.920924      3.650910
  H      -6.506499      1.501261      7.248901
  H      -8.204213      1.175483      2.165508
  N      -3.755464      1.737595      3.032610
  H      -4.107496      1.642293      2.040502
88
Coordinates from ORCA-job orca E -6669.285664624050
  N      -2.198259      0.343065      5.105760
  Mo     -3.716147      1.754612      4.756876
  N      -4.400019      1.560950      6.813195
  C      -3.696465      1.900217      8.024558
  C      -2.218872      1.989118      7.633380
  N      -1.992450      2.579446      6.263578
  C      -0.698734      2.079378      5.718254
  C      -0.815110      0.575532      5.459506
  C      -2.065065      4.062155      6.264876
  C      -3.494477      4.508940      6.002836
  N      -3.940603      3.772104      4.824986
  H      -0.139157      0.295069      4.635833
  H      -0.531830     -0.025401      6.338299
  H      -0.524398      2.610752      4.773053
  H       0.133662      2.310233      6.402418
  H      -4.158002      4.305212      6.855155
  H      -3.535778      5.588096      5.800993
  H      -1.676878      4.467624      7.211750
  H      -1.432008      4.427951      5.445459
  H      -3.810252      1.132567      8.807441
  H      -4.067806      2.850776      8.440510
  H      -1.806877      0.975553      7.615839
  H      -1.642891      2.575466      8.364972
  C      -6.309276      0.451785     -1.216361
  C      -5.700392      0.421366      0.151198
  O      -4.766167      1.183136      0.442748
  C      -6.250672     -0.506914      1.178444
  C      -7.525006     -1.096384      1.099278
  C      -8.020604     -1.840310      2.169118
  C      -7.243791     -2.005320      3.314886
  F      -7.761544     -2.683991      4.345574
  C      -5.956538     -1.451556      3.419082
  C      -5.044469     -1.640258      4.578512
  O      -5.007337     -2.641422      5.279494
  N      -4.141314     -0.569250      4.762200
  C      -2.878523     -0.792413      5.085092
  C      -5.486870     -0.726765      2.325538
  C      -9.843420      9.410414      0.078943
  C      -8.912634      8.252063      0.336377
  O      -8.966121      7.226784     -0.340192
  C      -7.923440      8.361659      1.454414
  C      -8.038802      9.318380      2.478079
  C      -7.146644      9.320268      3.546251
  C      -6.138131      8.360438      3.591402
  F      -5.288243      8.394039      4.637483
  C      -5.969884      7.409058      2.574053
  C      -4.946729      6.321175      2.550823
  O      -4.462924      5.932902      1.490179
  N      -4.628695      5.760993      3.796863
  C      -4.443148      4.478980      3.772451
  C      -6.873002      7.441936      1.506149
  C      -9.903210      3.813348     -0.570751
  C      -9.245219      2.775447      0.298468
  O      -9.166985      1.598764     -0.053271
  C      -8.680837      3.201366      1.618493
  C      -8.675230      4.544220      2.030378
  C      -8.157585      4.900899      3.271983
  C      -7.615151      3.910335      4.078205
  F      -7.147205      4.262984      5.299712
  C      -7.592296      2.559050      3.702036
  C      -7.164805      1.522872      4.688791
  O      -7.941171      0.679093      5.112451
  N      -5.866293      1.643775      5.212484
  C      -5.677466      1.535705      6.541966
  C      -8.162019      2.220576      2.474725
  H      -7.299358      0.934976     -1.152202
  H      -5.671644      1.031555     -1.891891
  H      -6.469742     -0.561945     -1.608992
  H      -8.158308     -0.933313      0.227668
  H      -9.018871     -2.277044      2.142241
  H      -2.444408     -1.784979      5.274681
  H      -4.475247     -0.337033      2.366179
  H     -10.533068      9.545734      0.927027
  H      -9.283890     10.350960     -0.031758
  H     -10.427005      9.210458     -0.825761
  H      -8.837839     10.059737      2.455257
  H      -7.217753     10.052331      4.350931
  H      -4.676461      3.880199      2.883817
  H      -6.767522      6.703400      0.710029
  H     -10.242214      3.346901     -1.501376
  H      -9.214770      4.642466     -0.793864
  H     -10.764735      4.259322     -0.049757
  H      -9.073896      5.322039      1.378262
  H      -8.170849      5.931202      3.624872
  H      -6.511262      1.499653      7.255786
  H      -8.212585      1.176099      2.170768
  N      -3.783069      1.746434      3.029668
  H      -4.138222      1.645716      2.038580
88
Coordinates from ORCA-job orca E -6669.286343478950
  N      -2.196931      0.361262      5.083053
  Mo     -3.732252      1.759201      4.750258
  N      -4.405824      1.551954      6.808691
  C      -3.698030      1.884625      8.019768
  C      -2.222539      1.980312      7.624427
  N      -2.003486      2.587009      6.261547
  C      -0.708429      2.104708      5.705059
  C      -0.813433      0.602681      5.430454
  C      -2.090569      4.068459      6.278878
  C      -3.522270      4.504582      6.006952
  N      -3.949949      3.774061      4.817288
  H      -0.139999      0.336723      4.599974
  H      -0.520046     -0.005181      6.301107
  H      -0.543820      2.648226      4.765022
  H       0.125697      2.335439      6.387244
  H      -4.192164      4.286392      6.850232
  H      -3.570623      5.585234      5.815240
  H      -1.716948      4.467574      7.234266
  H      -1.453123      4.450869      5.470665
  H      -3.808095      1.111418      8.797636
  H      -4.070176      2.831531      8.443446
  H      -1.808847      0.967744      7.594254
  H      -1.645676      2.559185      8.361433
  C      -6.332204      0.427560     -1.209115
  C      -5.725125      0.411452      0.159104
  O      -4.798315      1.183681      0.447162
  C      -6.265527     -0.517988      1.190287
  C      -7.538135     -1.112084      1.119875
  C      -8.023310     -1.857383      2.193246
  C      -7.237484     -2.020352      3.333244
  F      -7.744967     -2.701410      4.367581
  C      -5.951237     -1.462886      3.428324
  C      -5.028727     -1.649075      4.580993
  O      -4.980619     -2.650770      5.280409
  N      -4.133398     -0.572109      4.756786
  C      -2.864843     -0.780455      5.069550
  C      -5.492601     -0.734904      2.331941
  C      -9.831183      9.412325      0.080562
  C      -8.895573      8.257970      0.337641
  O      -8.938567      7.235545     -0.343956
  C      -7.910487      8.370192      1.459318
  C      -8.037735      9.319615      2.488249
  C      -7.149604      9.322828      3.559711
  C      -6.133122      8.371635      3.602573
  F      -5.286254      8.406392      4.651064
  C      -5.952946      7.427656      2.580298
  C      -4.919271      6.349773      2.556633
  O      -4.412535      5.983983      1.499483
  N      -4.619069      5.774254      3.800489
  C      -4.432257      4.493053      3.762373
  C      -6.852277      7.458619      1.509057
  C      -9.876754      3.814662     -0.584801
  C      -9.242292      2.771549      0.295844
  O      -9.180538      1.591524     -0.048193
  C      -8.676182      3.197244      1.614935
  C      -8.656226      4.542160      2.020430
  C      -8.138127      4.898684      3.261895
  C      -7.607965      3.906030      4.073562
  F      -7.137978      4.259337      5.294828
  C      -7.598947      2.553066      3.703380
  C      -7.179981      1.515393      4.692442
  O      -7.960213      0.676063      5.116770
  N      -5.880781      1.632375      5.215369
  C      -5.684785      1.519429      6.544043
  C      -8.170697      2.214853      2.476792
  H      -7.325927      0.903796     -1.149654
  H      -5.698334      1.007940     -1.887762
  H      -6.483806     -0.590177     -1.594805
  H      -8.177966     -0.951494      0.252436
  H      -9.020291     -2.297448      2.173442
  H      -2.417014     -1.767468      5.256488
  H      -4.482112     -0.340546      2.365234
  H     -10.526260      9.538612      0.925571
  H      -9.276157     10.356464     -0.021612
  H     -10.408563      9.214137     -0.828501
  H      -8.842531     10.054747      2.466688
  H      -7.229569     10.049882      4.368082
  H      -4.648650      3.903249      2.862925
  H      -6.738758      6.725762      0.708693
  H     -10.213227      3.348679     -1.516593
  H      -9.174895      4.632952     -0.805570
  H     -10.737159      4.273997     -0.073658
  H      -9.044249      5.321790      1.363879
  H      -8.141832      5.930419      3.610523
  H      -6.514609      1.475687      7.262021
  H      -8.231543      1.169409      2.177896
  N      -3.814845      1.749787      3.024573
  H      -4.176264      1.639845      2.036070
88
Coordinates from ORCA-job orca E -6669.287026526689
  N      -2.194389      0.379598      5.062884
  Mo     -3.749572      1.761496      4.746236
  N      -4.413746      1.541894      6.805904
  C      -3.702976      1.870795      8.016557
  C      -2.229542      1.971062      7.617929
  N      -2.015892      2.593809      6.262875
  C      -0.718547      2.130670      5.696702
  C      -0.811080      0.630104      5.405908
  C      -2.117267      4.074210      6.298233
  C      -3.551883      4.499388      6.016502
  N      -3.959571      3.775243      4.814109
  H      -0.139041      0.378183      4.570088
  H      -0.509083      0.016098      6.269276
  H      -0.564156      2.686681      4.762332
  H       0.116120      2.362521      6.377851
  H      -4.227101      4.264886      6.850477
  H      -3.608708      5.581291      5.835366
  H      -1.758606      4.464553      7.262841
  H      -1.476036      4.474653      5.502042
  H      -3.810412      1.093989      8.791243
  H      -4.076026      2.814765      8.446278
  H      -1.815967      0.958833      7.576149
  H      -1.651511      2.540737      8.361484
  C      -6.358402      0.394211     -1.208668
  C      -5.748071      0.393329      0.157813
  O      -4.831541      1.180072      0.440382
  C      -6.277955     -0.534010      1.195718
  C      -7.548951     -1.132856      1.135546
  C      -8.023298     -1.876726      2.213990
  C      -7.228532     -2.034465      3.348424
  F      -7.725770     -2.715318      4.388040
  C      -5.943435     -1.473030      3.433761
  C      -5.012078     -1.654909      4.581965
  O      -4.954477     -2.656679      5.280018
  N      -4.123988     -0.572609      4.751315
  C      -2.853264     -0.768157      5.058088
  C      -5.495757     -0.745126      2.332511
  C      -9.832928      9.415069      0.097307
  C      -8.894552      8.262571      0.351518
  O      -8.939580      7.237942     -0.326827
  C      -7.903696      8.379619      1.467656
  C      -8.027669      9.330286      2.495691
  C      -7.133652      9.337689      3.562098
  C      -6.114560      8.389618      3.600472
  F      -5.260368      8.429420      4.642904
  C      -5.937447      7.443827      2.579088
  C      -4.897405      6.371248      2.555275
  O      -4.374727      6.020862      1.501949
  N      -4.614168      5.786820      3.799753
  C      -4.419020      4.507545      3.755196
  C      -6.842626      7.470047      1.512771
  C      -9.841895      3.817675     -0.603023
  C      -9.234047      2.769864      0.290824
  O      -9.194531      1.585643     -0.042337
  C      -8.667647      3.195097      1.609847
  C      -8.633312      4.541833      2.009138
  C      -8.115850      4.897556      3.251231
  C      -7.599442      3.902749      4.068646
  F      -7.128443      4.256297      5.290504
  C      -7.604552      2.548388      3.703983
  C      -7.195542      1.507911      4.694206
  O      -7.978201      0.670598      5.115491
  N      -5.894713      1.619010      5.217602
  C      -5.693815      1.503664      6.545511
  C      -8.177193      2.210876      2.477463
  H      -7.358999      0.855459     -1.149155
  H      -5.734999      0.980873     -1.891668
  H      -6.494816     -0.627708     -1.589053
  H      -8.195255     -0.976745      0.271978
  H      -9.018870     -2.320329      2.202356
  H      -2.394693     -1.749992      5.246535
  H      -4.486059     -0.347078      2.356583
  H     -10.522236      9.540894      0.947089
  H      -9.278861     10.359230     -0.009427
  H     -10.416060      9.215639     -0.807749
  H      -8.833895     10.063914      2.477237
  H      -7.210857     10.066589      4.369068
  H      -4.615360      3.925071      2.845494
  H      -6.732879      6.736553      0.712564
  H     -10.175121      3.351250     -1.535773
  H      -9.125249      4.623505     -0.821525
  H     -10.700744      4.292142     -0.103175
  H      -9.009953      5.323996      1.348759
  H      -8.110001      5.930472      3.596057
  H      -6.521007      1.454657      7.266266
  H      -8.248265      1.164616      2.183469
  N      -3.842347      1.757456      3.022307
  H      -4.202301      1.644140      2.033100
88
Coordinates from ORCA-job orca E -6669.287647576057
  N      -2.191152      0.401880      5.032724
  Mo     -3.769725      1.765368      4.739431
  N      -4.418380      1.525966      6.802470
  C      -3.704631      1.847325      8.013332
  C      -2.233458      1.957699      7.609162
  N      -2.030682      2.601292      6.263557
  C      -0.731851      2.161674      5.684001
  C      -0.808827      0.664565      5.370822
  C      -2.148802      4.079218      6.318886
  C      -3.585415      4.492832      6.028289
  N      -3.975354      3.778051      4.812676
  H      -0.139031      0.432275      4.527685
  H      -0.494658      0.042204      6.223826
  H      -0.589747      2.733379      4.757205
  H       0.104477      2.392805      6.363397
  H      -4.265673      4.239726      6.852543
  H      -3.652561      5.576073      5.859424
  H      -1.805203      4.460083      7.292613
  H      -1.504471      4.499005      5.535383
  H      -3.806171      1.063354      8.781602
  H      -4.080066      2.785600      8.453522
  H      -1.817317      0.947313      7.550318
  H      -1.653651      2.516831      8.359572
  C      -6.392216      0.383266     -1.196778
  C      -5.783948      0.393425      0.170620
  O      -4.876269      1.191117      0.452434
  C      -6.297437     -0.542006      1.208458
  C      -7.564698     -1.150485      1.158019
  C      -8.022825     -1.900716      2.239051
  C      -7.215514     -2.055783      3.365030
  F      -7.697454     -2.743616      4.407985
  C      -5.933673     -1.485839      3.439574
  C      -4.989164     -1.664429      4.578025
  O      -4.914384     -2.668486      5.270799
  N      -4.111965     -0.572505      4.739188
  C      -2.834591     -0.752335      5.033596
  C      -5.502676     -0.751248      2.336534
  C      -9.809646      9.415636      0.086958
  C      -8.866125      8.268577      0.346404
  O      -8.903698      7.242369     -0.330376
  C      -7.882442      8.390750      1.467836
  C      -8.017647      9.340212      2.495481
  C      -7.129212      9.352961      3.566737
  C      -6.104470      8.411485      3.609845
  F      -5.254914      8.455808      4.656005
  C      -5.916600      7.467152      2.589188
  C      -4.867918      6.402410      2.570941
  O      -4.325382      6.066367      1.523924
  N      -4.605632      5.804332      3.814358
  C      -4.413631      4.525408      3.756175
  C      -6.815895      7.487596      1.518185
  C      -9.822301      3.809188     -0.614393
  C      -9.235324      2.759149      0.290374
  O      -9.220804      1.570745     -0.029613
  C      -8.665325      3.185304      1.607934
  C      -8.616162      4.533582      1.999854
  C      -8.096207      4.889573      3.240988
  C      -7.591125      3.893636      4.063717
  F      -7.116827      4.248246      5.284018
  C      -7.610364      2.537596      3.705518
  C      -7.207260      1.497501      4.698281
  O      -7.991488      0.663158      5.121671
  N      -5.904724      1.604330      5.220176
  C      -5.698941      1.481408      6.546549
  C      -8.186895      2.200071      2.480844
  H      -7.400327      0.827823     -1.137499
  H      -5.778298      0.979694     -1.879844
  H      -6.511377     -0.641027     -1.576698
  H      -8.219828     -0.996064      0.300841
  H      -9.015256     -2.351478      2.236180
  H      -2.362009     -1.728228      5.218638
  H      -4.495291     -0.346330      2.351787
  H     -10.502839      9.537265      0.934270
  H      -9.259925     10.362559     -0.017479
  H     -10.388246      9.213603     -0.820347
  H      -8.828202     10.068888      2.473064
  H      -7.215560     10.081323      4.373260
  H      -4.591256      3.954552      2.834839
  H      -6.697869      6.755293      0.717921
  H     -10.158446      3.340021     -1.544669
  H      -9.091867      4.601750     -0.835533
  H     -10.675688      4.301860     -0.122766
  H      -8.983053      5.317250      1.335747
  H      -8.079818      5.924027      3.580981
  H      -6.523925      1.421858      7.269159
  H      -8.269003      1.153013      2.192405
  N      -3.880878      1.766971      3.016636
  H      -4.245848      1.649461      2.029989
88
Coordinates from ORCA-job orca E -6637.324995029758
  N      -2.187167      0.424642      5.000622
  Mo     -3.787130      1.772489      4.735016
  N      -4.420347      1.510243      6.801045
  C      -3.703639      1.819654      8.013103
  C      -2.234532      1.937481      7.604042
  N      -2.041406      2.605604      6.271158
  C      -0.742032      2.189533      5.676888
  C      -0.805734      0.696969      5.335649
  C      -2.175070      4.080878      6.351666
  C      -3.613853      4.485401      6.052981
  N      -3.984293      3.785543      4.820821
  H      -0.138390      0.485854      4.485246
  H      -0.480663      0.064183      6.176871
  H      -0.611944      2.779395      4.759867
  H       0.096395      2.416265      6.355179
  H      -4.299332      4.208196      6.864997
  H      -3.693061      5.570131      5.900606
  H      -1.846807      4.447576      7.335887
  H      -1.527288      4.521923      5.582905
  H      -3.800967      1.027170      8.773289
  H      -4.079352      2.751460      8.466789
  H      -1.818872      0.928039      7.525008
  H      -1.651221      2.480659      8.363787
  C      -6.430312      0.355244     -1.203790
  C      -5.820251      0.384360      0.162829
  O      -4.919517      1.193536      0.435969
  C      -6.318792     -0.549226      1.208365
  C      -7.584809     -1.162695      1.172016
  C      -8.028509     -1.912268      2.259266
  C      -7.208166     -2.062210      3.376213
  F      -7.676116     -2.751601      4.425315
  C      -5.928099     -1.487276      3.437305
  C      -4.972913     -1.660870      4.568257
  O      -4.882555     -2.667260      5.255103
  N      -4.103313     -0.561063      4.723538
  C      -2.822290     -0.733280      5.007558
  C      -5.511512     -0.753167      2.328577
  C      -9.801223      9.392637      0.077242
  C      -8.849688      8.254209      0.345394
  O      -8.876391      7.225452     -0.328672
  C      -7.869234      8.388948      1.467123
  C      -8.013237      9.342348      2.489862
  C      -7.126002      9.367911      3.562226
  C      -6.093615      8.435421      3.610599
  F      -5.244341      8.490878      4.656683
  C      -5.897235      7.488022      2.594721
  C      -4.836485      6.434039      2.584253
  O      -4.271363      6.112882      1.545408
  N      -4.595303      5.826365      3.828915
  C      -4.399893      4.548743      3.764912
  C      -6.794798      7.495269      1.522887
  C      -9.791034      3.808743     -0.623718
  C      -9.230663      2.757688      0.295664
  O      -9.230176      1.566732     -0.014746
  C      -8.657903      3.185803      1.612305
  C      -8.593593      4.535175      1.996841
  C      -8.072622      4.890627      3.238272
  C      -7.581397      3.893218      4.067228
  F      -7.108040      4.247174      5.287727
  C      -7.614642      2.535848      3.714398
  C      -7.218041      1.495975      4.708490
  O      -8.004720      0.666602      5.136626
  N      -5.912296      1.594650      5.226537
  C      -5.701596      1.465222      6.550301
  C      -8.192636      2.199159      2.490612
  H      -7.445924      0.782077     -1.143082
  H      -5.829116      0.957744     -1.892594
  H      -6.533185     -0.673351     -1.576968
  H      -8.248013     -1.011684      0.320541
  H      -9.019121     -2.366943      2.268238
  H      -2.343020     -1.706332      5.190559
  H      -4.504853     -0.345672      2.332471
  H     -10.496681      9.511393      0.923224
  H      -9.258253     10.343198     -0.029555
  H     -10.376643      9.183623     -0.830359
  H      -8.830036     10.063782      2.463281
  H      -7.220312     10.099655      4.364779
  H      -4.556669      3.987697      2.833419
  H      -6.670383      6.760318      0.726107
  H     -10.122129      3.336179     -1.554036
  H      -9.046436      4.589154     -0.840797
  H     -10.642703      4.318925     -0.147269
  H      -8.949029      5.321010      1.328943
  H      -8.045008      5.926526      3.573660
  H      -6.524300      1.396260      7.274894
  H      -8.285114      1.151780      2.206698
  N      -3.920162      1.784205      3.013422
  H      -4.291815      1.666721      2.029836
88
Coordinates from ORCA-job orca E -6669.288736591289
  N      -2.185701      0.448194      4.968418
  Mo     -3.806012      1.780418      4.730479
  N      -4.423008      1.496536      6.799237
  C      -3.702256      1.794788      8.011479
  C      -2.235548      1.919982      7.595845
  N      -2.052868      2.610789      6.276199
  C      -0.754152      2.217809      5.667824
  C      -0.805073      0.730199      5.299595
  C      -2.201091      4.082304      6.380763
  C      -3.641890      4.478759      6.074867
  N      -3.994277      3.793645      4.827239
  H      -0.140903      0.539535      4.442146
  H      -0.468839      0.087832      6.129129
  H      -0.636163      2.824678      4.760379
  H       0.087003      2.440378      6.344179
  H      -4.331735      4.178481      6.874796
  H      -3.732725      5.564497      5.938273
  H      -1.886875      4.435351      7.374377
  H      -1.550821      4.543602      5.626161
  H      -3.794716      0.994338      8.764009
  H      -4.077748      2.720223      8.478370
  H      -1.820539      0.911706      7.497430
  H      -1.648041      2.447592      8.363709
  C      -6.463383      0.321331     -1.211956
  C      -5.854856      0.371907      0.154990
  O      -4.962792      1.193866      0.420313
  C      -6.339624     -0.558791      1.208326
  C      -7.604105     -1.177425      1.185157
  C      -8.034806     -1.924639      2.279002
  C      -7.203021     -2.067876      3.388072
  F      -7.658407     -2.756969      4.443651
  C      -5.924809     -1.488190      3.436451
  C      -4.959978     -1.655803      4.560756
  O      -4.854522     -2.663707      5.242524
  N      -4.097852     -0.548217      4.709352
  C      -2.811612     -0.712633      4.982481
  C      -5.521315     -0.756050      2.321767
  C      -9.792292      9.374662      0.073704
  C      -8.833758      8.244108      0.350162
  O      -8.851090      7.212708     -0.320816
  C      -7.855255      8.391036      1.471002
  C      -8.006048      9.348885      2.488550
  C      -7.118986      9.386818      3.561029
  C      -6.079961      8.462314      3.614017
  F      -5.229907      8.528519      4.659051
  C      -5.877057      7.511291      2.603139
  C      -4.805649      6.466965      2.599717
  O      -4.219517      6.160397      1.569036
  N      -4.584540      5.849248      3.844817
  C      -4.387505      4.572792      3.774199
  C      -6.773848      7.505867      1.531415
  C      -9.757623      3.801813     -0.636272
  C      -9.223359      2.751290      0.298204
  O      -9.235128      1.557958     -0.002433
  C      -8.649891      3.182304      1.614488
  C      -8.572351      4.532779      1.991284
  C      -8.051886      4.888738      3.233346
  C      -7.574075      3.890900      4.069223
  F      -7.102902      4.245195      5.290116
  C      -7.619630      2.532191      3.722260
  C      -7.229359      1.493539      4.718592
  O      -8.018417      0.669634      5.152385
  N      -5.920498      1.584614      5.232754
  C      -5.704926      1.450516      6.554098
  C      -8.197696      2.195221      2.499017
  H      -7.486881      0.728975     -1.152319
  H      -5.874412      0.929649     -1.905969
  H      -6.547694     -0.711792     -1.577359
  H      -8.274252     -1.030898      0.338439
  H      -9.023537     -2.383048      2.299205
  H      -2.325334     -1.682576      5.163665
  H      -4.515452     -0.346173      2.314983
  H     -10.489099      9.491571      0.918954
  H      -9.255241     10.328221     -0.036352
  H     -10.365529      9.158879     -0.833551
  H      -8.828308     10.063848      2.458352
  H      -7.219676     10.122336      4.359337
  H      -4.524916      4.021942      2.833240
  H      -6.644605      6.767858      0.738311
  H     -10.082278      3.325029     -1.566658
  H      -8.999933      4.570841     -0.848662
  H     -10.608201      4.328334     -0.175994
  H      -8.916438      5.320004      1.318953
  H      -8.014408      5.926096      3.563773
  H      -6.525229      1.372939      7.280758
  H      -8.299013      1.147455      2.219839
  N      -3.961699      1.800629      3.010438
  H      -4.340577      1.682658      2.030184
88
Coordinates from ORCA-job orca E -6669.289008728889
  N      -2.188021      0.462911      4.953706
  Mo     -3.819455      1.781611      4.718655
  N      -4.430750      1.496789      6.789860
  C      -3.706888      1.795803      8.000782
  C      -2.241250      1.928024      7.582207
  N      -2.067375      2.623156      6.263823
  C      -0.768627      2.242286      5.650039
  C      -0.808813      0.756282      5.280402
  C      -2.229681      4.091695      6.369193
  C      -3.670628      4.477263      6.054423
  N      -4.010659      3.791483      4.805345
  H      -0.146656      0.573927      4.419456
  H      -0.464074      0.113670      6.106156
  H      -0.658535      2.851374      4.742941
  H       0.074002      2.470364      6.322923
  H      -4.364109      4.173176      6.849248
  H      -3.765876      5.562887      5.918821
  H      -1.925335      4.447232      7.365179
  H      -1.578698      4.560616      5.619870
  H      -3.795182      0.994615      8.752596
  H      -4.084993      2.720835      8.466614
  H      -1.822194      0.921806      7.479586
  H      -1.653846      2.457568      8.348689
  C      -6.451141      0.253524     -1.202912
  C      -5.862060      0.330543      0.171065
  O      -4.992864      1.174236      0.441353
  C      -6.346775     -0.594849      1.230456
  C      -7.606870     -1.220633      1.212017
  C      -8.032949     -1.964540      2.310857
  C      -7.198960     -2.098025      3.420231
  F      -7.646332     -2.787895      4.478293
  C      -5.924462     -1.509693      3.462134
  C      -4.949335     -1.668278      4.577162
  O      -4.835360     -2.670470      5.267223
  N      -4.094637     -0.555253      4.710374
  C      -2.800799     -0.703208      4.977927
  C      -5.527508     -0.779149      2.344413
  C      -9.776424      9.433973      0.109974
  C      -8.820464      8.297692      0.371262
  O      -8.846263      7.270633     -0.305179
  C      -7.841145      8.429779      1.494742
  C      -7.989589      9.377004      2.522429
  C      -7.103684      9.400525      3.596105
  C      -6.067899      8.471798      3.640108
  F      -5.219052      8.522961      4.686766
  C      -5.866607      7.531538      2.618644
  C      -4.799352      6.484340      2.605680
  O      -4.207507      6.190186      1.574255
  N      -4.585798      5.847971      3.840895
  C      -4.394492      4.571791      3.755334
  C      -6.763185      7.539913      1.546019
  C      -9.744557      3.794514     -0.660587
  C      -9.207393      2.742923      0.272234
  O      -9.232153      1.548544     -0.023598
  C      -8.640708      3.173802      1.590454
  C      -8.565392      4.524919      1.966771
  C      -8.052701      4.882881      3.210932
  C      -7.579213      3.885674      4.050700
  F      -7.114338      4.242270      5.273489
  C      -7.621579      2.526844      3.705566
  C      -7.234329      1.488184      4.704693
  O      -8.023638      0.659324      5.129498
  N      -5.929345      1.582634      5.223964
  C      -5.713014      1.442405      6.547023
  C      -8.192157      2.188198      2.478773
  H      -7.483437      0.640601     -1.164519
  H      -5.864344      0.867059     -1.894499
  H      -6.507626     -0.785032     -1.557818
  H      -8.279017     -1.084258      0.365062
  H      -9.018535     -2.429534      2.333489
  H      -2.301847     -1.666072      5.161822
  H      -4.524763     -0.362699      2.333849
  H     -10.472011      9.545532      0.956865
  H      -9.237355     10.387284      0.008230
  H     -10.351548      9.227310     -0.798392
  H      -8.809201     10.095421      2.498893
  H      -7.202004     10.127529      4.402454
  H      -4.524065      4.026094      2.810429
  H      -6.636285      6.810422      0.744623
  H     -10.073451      3.319552     -1.590507
  H      -8.987725      4.563452     -0.876181
  H     -10.593935      4.319623     -0.196397
  H      -8.906668      5.310361      1.290911
  H      -8.018406      5.920328      3.540377
  H      -6.531680      1.360490      7.274795
  H      -8.291970      1.139827      2.200417
  N      -3.981754      1.792367      2.999734
  H      -4.363631      1.662955      2.021749
88
Coordinates from ORCA-job orca E -6669.288785002712
  N      -2.179498      0.490445      4.922928
  Mo     -3.832061      1.796840      4.725435
  N      -4.430607      1.474899      6.794084
  C      -3.710204      1.752551      8.010798
  C      -2.244123      1.892197      7.591534
  N      -2.070278      2.619369      6.298807
  C      -0.772538      2.263299      5.674236
  C      -0.802258      0.786930      5.255034
  C      -2.236765      4.082440      6.439785
  C      -3.676318      4.474456      6.116378
  N      -4.002055      3.813212      4.845890
  H      -0.140559      0.631640      4.389185
  H      -0.451691      0.128050      6.065603
  H      -0.669028      2.899445      4.785359
  H       0.071340      2.474342      6.351104
  H      -4.375907      4.139484      6.893835
  H      -3.783675      5.560633      6.000656
  H      -1.947294      4.412727      7.448368
  H      -1.578337      4.571982      5.710292
  H      -3.797417      0.937782      8.748732
  H      -4.088129      2.665133      8.500683
  H      -1.829623      0.886103      7.463837
  H      -1.654136      2.391557      8.377174
  C      -6.524518      0.218707     -1.243186
  C      -5.924484      0.326813      0.125292
  O      -5.061761      1.186766      0.371798
  C      -6.380463     -0.589582      1.201238
  C      -7.638510     -1.225451      1.205265
  C      -8.041469     -1.965774      2.314439
  C      -7.188342     -2.085423      3.409281
  F      -7.613242     -2.779101      4.476656
  C      -5.919049     -1.486234      3.432855
  C      -4.936293     -1.637184      4.543170
  O      -4.803310     -2.645440      5.218180
  N      -4.088435     -0.512346      4.683467
  C      -2.795347     -0.673118      4.939028
  C      -5.543472     -0.760736      2.304997
  C      -9.796626      9.340798      0.090521
  C      -8.825342      8.223368      0.376752
  O      -8.840810      7.182796     -0.281581
  C      -7.839765      8.391398      1.485095
  C      -7.989172      9.363219      2.489551
  C      -7.093337      9.424507      3.554466
  C      -6.046588      8.509514      3.611129
  F      -5.186278      8.594666      4.646811
  C      -5.845078      7.547169      2.611694
  C      -4.758734      6.515378      2.617718
  O      -4.151331      6.218436      1.598262
  N      -4.561230      5.889230      3.865927
  C      -4.364162      4.614273      3.798543
  C      -6.749885      7.517054      1.549119
  C      -9.708564      3.809180     -0.661463
  C      -9.200199      2.763778      0.290065
  O      -9.230012      1.566959      0.006074
  C      -8.623558      3.199815      1.605990
  C      -8.530358      4.549836      1.975086
  C      -8.011665      4.903098      3.220337
  C      -7.551965      3.903507      4.063816
  F      -7.086271      4.254711      5.285524
  C      -7.611702      2.543675      3.719988
  C      -7.231776      1.504525      4.716203
  O      -8.023763      0.682899      5.150246
  N      -5.921131      1.577363      5.231986
  C      -5.710859      1.430455      6.548961
  C      -8.186134      2.210219      2.495583
  H      -7.562971      0.587190     -1.189514
  H      -5.960058      0.831707     -1.952644
  H      -6.571403     -0.825293     -1.583264
  H      -8.319433     -1.097244      0.364576
  H      -9.021891     -2.440219      2.356208
  H      -2.305741     -1.642256      5.115260
  H      -4.541358     -0.342926      2.277868
  H     -10.486085      9.459927      0.941846
  H      -9.269499     10.297963     -0.035681
  H     -10.376682      9.110637     -0.808476
  H      -8.818409     10.069720      2.456415
  H      -7.196282     10.170965      4.342234
  H      -4.477351      4.074106      2.848009
  H      -6.622954      6.767410      0.766789
  H     -10.030527      3.322579     -1.587554
  H      -8.935240      4.563100     -0.872069
  H     -10.552753      4.361675     -0.220699
  H      -8.859609      5.340984      1.299770
  H      -7.962180      5.941523      3.547199
  H      -6.533861      1.337622      7.271466
  H      -8.298543      1.163029      2.218761
  N      -4.029122      1.829725      3.007599
  H      -4.422825      1.712351      2.034723
88
Coordinates from ORCA-job orca E -6669.289519269752
  N      -2.164839      0.500682      4.895885
  Mo     -3.830631      1.787765      4.712342
  N      -4.421923      1.454029      6.784192
  C      -3.694768      1.727770      7.999173
  C      -2.232099      1.882883      7.574064
  N      -2.079367      2.623103      6.285434
  C      -0.781383      2.292398      5.647370
  C      -0.790356      0.818023      5.223175
  C      -2.274893      4.081776      6.439612
  C      -3.720131      4.451795      6.115314
  N      -4.030138      3.798280      4.840616
  H      -0.132303      0.679699      4.351385
  H      -0.424093      0.157675      6.025326
  H      -0.693691      2.933829      4.760409
  H       0.065210      2.513758      6.317902
  H      -4.417960      4.104241      6.888378
  H      -3.840768      5.538047      6.010138
  H      -1.996156      4.408939      7.452644
  H      -1.621951      4.592151      5.719430
  H      -3.772271      0.907841      8.731761
  H      -4.077440      2.637216      8.491379
  H      -1.808748      0.882383      7.434171
  H      -1.641408      2.385239      8.356991
  C      -6.553112      0.219931     -1.199484
  C      -5.956627      0.330175      0.169931
  O      -5.092019      1.185076      0.419640
  C      -6.400998     -0.599790      1.241920
  C      -7.650249     -1.248991      1.253789
  C      -8.030596     -2.012007      2.356956
  C      -7.162261     -2.138591      3.440229
  F      -7.561518     -2.856661      4.500735
  C      -5.902861     -1.518087      3.455034
  C      -4.898596     -1.664141      4.543244
  O      -4.746428     -2.669900      5.220090
  N      -4.062242     -0.532885      4.667769
  C      -2.769804     -0.673822      4.927284
  C      -5.550978     -0.771001      2.333786
  C      -9.740260      9.400636      0.026503
  C      -8.773582      8.277185      0.304689
  O      -8.773417      7.252427     -0.376552
  C      -7.822231      8.414494      1.449329
  C      -8.004196      9.357655      2.475384
  C      -7.141222      9.391200      3.567847
  C      -6.094712      8.476060      3.631376
  F      -5.267025      8.533863      4.694812
  C      -5.861217      7.540760      2.612774
  C      -4.774304      6.512181      2.622586
  O      -4.146431      6.232439      1.608916
  N      -4.593577      5.869824      3.861882
  C      -4.393649      4.595638      3.787849
  C      -6.734470      7.538493      1.522287
  C      -9.691010      3.859060     -0.646728
  C      -9.181957      2.798093      0.289483
  O      -9.230762      1.604341     -0.004471
  C      -8.615072      3.216317      1.613642
  C      -8.517131      4.562730      1.997767
  C      -8.008272      4.902716      3.249654
  C      -7.560734      3.892130      4.087653
  F      -7.105778      4.229428      5.318114
  C      -7.622014      2.536573      3.730828
  C      -7.240367      1.486087      4.717527
  O      -8.031686      0.656686      5.139200
  N      -5.931547      1.564583      5.232219
  C      -5.705867      1.402101      6.549095
  C      -8.188650      2.217139      2.497924
  H      -7.600681      0.560875     -1.151152
  H      -6.000546      0.852862     -1.901243
  H      -6.568897     -0.822887     -1.546839
  H      -8.343775     -1.121651      0.422901
  H      -9.003824     -2.500668      2.401866
  H      -2.267669     -1.635227      5.108818
  H      -4.557814     -0.333057      2.302055
  H     -10.454169      9.498223      0.859986
  H      -9.213561     10.362340     -0.060683
  H     -10.294040      9.190356     -0.894018
  H      -8.832563     10.065139      2.435703
  H      -7.267552     10.115728      4.372495
  H      -4.494824      4.057508      2.834536
  H      -6.580361      6.814192      0.721418
  H     -10.016191      3.389385     -1.580545
  H      -8.919380      4.616974     -0.849305
  H     -10.536401      4.400560     -0.194298
  H      -8.839264      5.359683      1.325982
  H      -7.957683      5.937450      3.586425
  H      -6.519829      1.302391      7.280172
  H      -8.302546      1.172681      2.209797
  N      -4.025500      1.827398      2.994820
  H      -4.422321      1.703589      2.024952
88
Coordinates from ORCA-job orca E -6669.289784123834
  N      -2.184561      0.505078      4.885094
  Mo     -3.842869      1.801797      4.711738
  N      -4.420611      1.473985      6.791370
  C      -3.684271      1.747626      8.001003
  C      -2.223795      1.895392      7.566375
  N      -2.079037      2.630525      6.272083
  C      -0.787864      2.291072      5.624154
  C      -0.807249      0.816809      5.205204
  C      -2.267764      4.090921      6.421678
  C      -3.711956      4.467348      6.105771
  N      -4.035885      3.811883      4.838113
  H      -0.155401      0.675507      4.329037
  H      -0.438672      0.154235      6.004334
  H      -0.702381      2.929342      4.734644
  H       0.065226      2.509584      6.287446
  H      -4.407626      4.131507      6.885850
  H      -3.823438      5.554632      5.997854
  H      -1.981262      4.421519      7.431611
  H      -1.616323      4.595859      5.696355
  H      -3.759911      0.929387      8.735318
  H      -4.060466      2.661189      8.490493
  H      -1.805405      0.893179      7.425748
  H      -1.625425      2.400678      8.341210
  C      -6.533056      0.161643     -1.219039
  C      -5.953494      0.298582      0.155083
  O      -5.107408      1.170326      0.406211
  C      -6.408815     -0.617497      1.235792
  C      -7.656897     -1.266506      1.244053
  C      -8.050671     -2.010466      2.355210
  C      -7.193174     -2.124278      3.448446
  F      -7.607914     -2.818615      4.517212
  C      -5.931012     -1.509194      3.464615
  C      -4.931030     -1.648742      4.557670
  O      -4.784589     -2.649328      5.244567
  N      -4.086452     -0.524155      4.671894
  C      -2.792772     -0.667330      4.924169
  C      -5.568724     -0.774561      2.337574
  C      -9.742851      9.439927      0.075919
  C      -8.775542      8.315003      0.345620
  O      -8.771159      7.296832     -0.344790
  C      -7.818994      8.448615      1.487963
  C      -8.000639      9.381536      2.523397
  C      -7.135216      9.406293      3.614033
  C      -6.086758      8.492286      3.666873
  F      -5.258671      8.540105      4.730261
  C      -5.852896      7.567870      2.638178
  C      -4.770514      6.535971      2.636515
  O      -4.142020      6.267022      1.619615
  N      -4.583391      5.883285      3.866952
  C      -4.402171      4.606398      3.784498
  C      -6.728824      7.575348      1.549252
  C      -9.645202      3.790057     -0.686208
  C      -9.149384      2.737955      0.268319
  O      -9.192512      1.541481     -0.014958
  C      -8.600408      3.172347      1.593731
  C      -8.510691      4.524458      1.961476
  C      -8.015691      4.883893      3.212625
  C      -7.571437      3.886134      4.067830
  F      -7.127038      4.242762      5.296941
  C      -7.624716      2.525686      3.729514
  C      -7.245596      1.490246      4.733361
  O      -8.038098      0.665224      5.162207
  N      -5.938316      1.577886      5.245842
  C      -5.705656      1.419387      6.564038
  C      -8.180840      2.186629      2.496744
  H      -7.588378      0.479603     -1.190027
  H      -5.984645      0.798127     -1.921057
  H      -6.520482     -0.885515     -1.553463
  H      -8.344261     -1.149666      0.406380
  H      -9.027052     -2.492996      2.398714
  H      -2.291815     -1.629475      5.104513
  H      -4.576034     -0.335611      2.309508
  H     -10.458530      9.532956      0.908166
  H      -9.217640     10.403006     -0.005120
  H     -10.294832      9.233322     -0.846705
  H      -8.830792     10.087463      2.492589
  H      -7.260530     10.122126      4.426586
  H      -4.519366      4.068100      2.833285
  H      -6.575406      6.859433      0.741203
  H      -9.957386      3.312682     -1.620581
  H      -8.871904      4.547220     -0.885900
  H     -10.498349      4.333141     -0.250388
  H      -8.828342      5.309873      1.274108
  H      -7.971680      5.923211      3.535161
  H      -6.515174      1.321927      7.299999
  H      -8.288060      1.138090      2.221727
  N      -4.044350      1.841043      2.994953
  H      -4.447739      1.715884      2.028101
88
Coordinates from ORCA-job orca E -6669.290006723333
  N      -2.173433      0.524024      4.859177
  Mo     -3.836205      1.814302      4.693823
  N      -4.421993      1.467935      6.769850
  C      -3.690269      1.726233      7.986803
  C      -2.228223      1.875137      7.564858
  N      -2.076628      2.628733      6.283295
  C      -0.784742      2.301420      5.636108
  C      -0.800079      0.836230      5.195215
  C      -2.275410      4.084070      6.446257
  C      -3.710852      4.463479      6.099414
  N      -4.015852      3.819510      4.823054
  H      -0.143125      0.713434      4.319802
  H      -0.434205      0.158344      5.982403
  H      -0.693379      2.954260      4.757715
  H       0.067525      2.507800      6.304951
  H      -4.424457      4.128178      6.863154
  H      -3.813227      5.552471      5.997729
  H      -2.018293      4.404703      7.467619
  H      -1.605836      4.603176      5.747998
  H      -3.774703      0.901478      8.712233
  H      -4.066639      2.639279      8.476974
  H      -1.813639      0.873482      7.410549
  H      -1.633356      2.367964      8.350353
  C      -6.571760      0.191888     -1.194554
  C      -5.974606      0.315930      0.172279
  O      -5.131046      1.188019      0.425283
  C      -6.426589     -0.604724      1.253734
  C      -7.674127     -1.251324      1.272546
  C      -8.057624     -2.001366      2.383710
  C      -7.188886     -2.124817      3.467636
  F      -7.593814     -2.822002      4.537304
  C      -5.926483     -1.510386      3.472734
  C      -4.912064     -1.645839      4.552796
  O      -4.756408     -2.642109      5.245568
  N      -4.071625     -0.519611      4.651408
  C      -2.776135     -0.651061      4.907951
  C      -5.575328     -0.767741      2.345903
  C      -9.712396      9.333552      0.038544
  C      -8.698518      8.249948      0.305145
  O      -8.631612      7.247163     -0.402991
  C      -7.778685      8.401319      1.477101
  C      -8.035861      9.293299      2.532413
  C      -7.207351      9.324779      3.650840
  C      -6.120673      8.456999      3.712324
  F      -5.331931      8.505374      4.804840
  C      -5.810192      7.577865      2.664445
  C      -4.690694      6.589578      2.673414
  O      -4.011538      6.376733      1.675456
  N      -4.528110      5.903238      3.885744
  C      -4.358893      4.627405      3.777499
  C      -6.649712      7.579352      1.546309
  C      -9.713287      3.822864     -0.674673
  C      -9.214551      2.767929      0.276921
  O      -9.294391      1.570186      0.007865
  C      -8.621520      3.202967      1.581052
  C      -8.501553      4.556520      1.937167
  C      -7.978743      4.917516      3.175800
  C      -7.536956      3.918105      4.031297
  F      -7.065889      4.277450      5.250692
  C      -7.615675      2.556305      3.703878
  C      -7.245524      1.517743      4.711064
  O      -8.049221      0.703195      5.140086
  N      -5.942289      1.597658      5.226205
  C      -5.706361      1.408927      6.542909
  C      -8.197297      2.217795      2.482426
  H      -7.622179      0.524527     -1.157529
  H      -6.021831      0.824524     -1.899170
  H      -6.572472     -0.855056     -1.530400
  H      -8.371324     -1.130652      0.443045
  H      -9.035163     -2.480735      2.434570
  H      -2.269098     -1.608647      5.094904
  H      -4.584974     -0.323584      2.312429
  H     -10.455729      9.371804      0.850417
  H      -9.234661     10.323353     -0.004682
  H     -10.226882      9.121316     -0.904533
  H      -8.897748      9.960020      2.495484
  H      -7.390863     10.008086      4.480152
  H      -4.476698      4.101795      2.819594
  H      -6.437436      6.896384      0.722438
  H     -10.068316      3.346068     -1.593967
  H      -8.929008      4.557812     -0.909552
  H     -10.539147      4.389353     -0.216494
  H      -8.823235      5.340469      1.249844
  H      -7.914774      5.958079      3.490079
  H      -6.512630      1.299458      7.279957
  H      -8.330942      1.169190      2.219268
  N      -4.050580      1.847230      2.978614
  H      -4.472302      1.700459      2.021570
88
Coordinates from ORCA-job orca E -6669.290275629939
  N      -2.174571      0.542714      4.837450
  Mo     -3.847824      1.821841      4.686388
  N      -4.426942      1.466393      6.763576
  C      -3.693718      1.720579      7.980962
  C      -2.232692      1.874920      7.557651
  N      -2.086833      2.638514      6.282689
  C      -0.796023      2.323774      5.628581
  C      -0.803069      0.862265      5.175256
  C      -2.296524      4.091092      6.453495
  C      -3.732077      4.465692      6.099060
  N      -4.029279      3.824195      4.820308
  H      -0.146935      0.752007      4.297532
  H      -0.431331      0.179420      5.955308
  H      -0.711541      2.984038      4.755086
  H       0.058312      2.529439      6.295218
  H      -4.447975      4.124573      6.858052
  H      -3.838209      5.554668      6.000529
  H      -2.049507      4.407611      7.478650
  H      -1.625050      4.619498      5.764120
  H      -3.776204      0.892824      8.703102
  H      -4.071425      2.631299      8.474464
  H      -1.817530      0.874676      7.394731
  H      -1.636979      2.361697      8.346427
  C      -6.586323      0.114490     -1.199631
  C      -6.005469      0.276653      0.170280
  O      -5.171020      1.159750      0.413566
  C      -6.446049     -0.638024      1.262337
  C      -7.686875     -1.296463      1.292064
  C      -8.059088     -2.039791      2.411519
  C      -7.184728     -2.146008      3.492697
  F      -7.576472     -2.841103      4.568479
  C      -5.928181     -1.520068      3.486571
  C      -4.905886     -1.640080      4.560648
  O      -4.740160     -2.629739      5.260913
  N      -4.069623     -0.509293      4.644186
  C      -2.772682     -0.634483      4.894409
  C      -5.588619     -0.783050      2.352170
  C      -9.716393      9.387251      0.086386
  C      -8.708399      8.295354      0.340746
  O      -8.656568      7.293099     -0.369145
  C      -7.775643      8.438113      1.503939
  C      -8.015796      9.330491      2.562929
  C      -7.176403      9.354253      3.673360
  C      -6.096087      8.477983      3.723176
  F      -5.295983      8.518601      4.807699
  C      -5.802305      7.598072      2.671168
  C      -4.689431      6.602277      2.670818
  O      -4.011683      6.392130      1.671600
  N      -4.529046      5.908541      3.878443
  C      -4.368486      4.632245      3.770738
  C      -6.652329      7.607187      1.561018
  C      -9.662589      3.800962     -0.713810
  C      -9.178345      2.749608      0.249440
  O      -9.257656      1.550738     -0.014395
  C      -8.600269      3.190303      1.558194
  C      -8.485628      4.545192      1.911080
  C      -7.976761      4.910930      3.154115
  C      -7.542313      3.914792      4.017195
  F      -7.084478      4.278824      5.240308
  C      -7.615101      2.551934      3.693256
  C      -7.248376      1.515962      4.704960
  O      -8.054670      0.704772      5.135779
  N      -5.946826      1.597117      5.221848
  C      -5.711019      1.406703      6.538925
  C      -8.184001      2.208736      2.467267
  H      -7.645122      0.420420     -1.179253
  H      -6.045503      0.748223     -1.910359
  H      -6.556404     -0.938212     -1.515812
  H      -8.388514     -1.190347      0.464323
  H      -9.031816     -2.527939      2.470397
  H      -2.261650     -1.589127      5.085577
  H      -4.602809     -0.329752      2.310576
  H     -10.452095      9.429037      0.905009
  H      -9.231988     10.373684      0.041146
  H     -10.240882      9.180690     -0.852486
  H      -8.872802     10.003954      2.534862
  H      -7.346444     10.038134      4.505065
  H      -4.488526      4.105262      2.814174
  H      -6.452660      6.924665      0.733686
  H     -10.007600      3.320801     -1.635200
  H      -8.874016      4.532884     -0.943431
  H     -10.492978      4.370821     -0.268132
  H      -8.800483      5.326249      1.217453
  H      -7.917487      5.952530      3.465677
  H      -6.516365      1.294628      7.276581
  H      -8.311754      1.159155      2.205060
  N      -4.073992      1.855574      2.972753
  H      -4.501356      1.703492      2.019897
88
Coordinates from ORCA-job orca E -6669.290508278515
  N      -2.171071      0.574243      4.789173
  Mo     -3.867580      1.829992      4.680644
  N      -4.420129      1.443606      6.762702
  C      -3.678799      1.685210      7.977809
  C      -2.222516      1.853442      7.543046
  N      -2.096999      2.642512      6.285503
  C      -0.810638      2.358430      5.612274
  C      -0.801991      0.906308      5.127308
  C      -2.327230      4.087534      6.485772
  C      -3.766512      4.453216      6.128780
  N      -4.052126      3.829235      4.838331
  H      -0.150474      0.823386      4.243257
  H      -0.416117      0.211927      5.890096
  H      -0.743508      3.037291      4.751634
  H       0.049277      2.560924      6.273008
  H      -4.482164      4.091225      6.878615
  H      -3.884528      5.542334      6.047390
  H      -2.093586      4.385840      7.519460
  H      -1.657398      4.640829      5.814578
  H      -3.751470      0.847554      8.689523
  H      -4.057578      2.587288      8.486224
  H      -1.805587      0.858000      7.355299
  H      -1.620427      2.324503      8.336874
  C      -6.628290      0.109141     -1.200605
  C      -6.039134      0.278821      0.165167
  O      -5.212364      1.170132      0.403539
  C      -6.466155     -0.637245      1.261923
  C      -7.703905     -1.301305      1.304186
  C      -8.061359     -2.045790      2.427459
  C      -7.175941     -2.147680      3.499843
  F      -7.554984     -2.843222      4.580208
  C      -5.922280     -1.516454      3.481419
  C      -4.889746     -1.629493      4.547124
  O      -4.710155     -2.617256      5.246373
  N      -4.059050     -0.492967      4.617189
  C      -2.756606     -0.607260      4.854818
  C      -5.597333     -0.778302      2.343180
  C      -9.672305      9.394712      0.041459
  C      -8.666967      8.303796      0.310083
  O      -8.601894      7.303434     -0.401623
  C      -7.751525      8.446630      1.486699
  C      -8.008800      9.337482      2.542996
  C      -7.184127      9.364064      3.664603
  C      -6.101365      8.492044      3.728113
  F      -5.314137      8.535441      4.822091
  C      -5.791547      7.613189      2.680039
  C      -4.672469      6.623900      2.694266
  O      -3.972795      6.425287      1.708138
  N      -4.530611      5.925191      3.902021
  C      -4.378027      4.649131      3.791985
  C      -6.626481      7.618965      1.558783
  C      -9.628899      3.779509     -0.708883
  C      -9.171650      2.728550      0.267662
  O      -9.268308      1.529057      0.013299
  C      -8.598251      3.170736      1.578545
  C      -8.471249      4.526012      1.925277
  C      -7.968030      4.892131      3.170677
  C      -7.548794      3.895859      4.040660
  F      -7.100618      4.260256      5.267309
  C      -7.629618      2.532551      3.720713
  C      -7.263105      1.499096      4.734175
  O      -8.069167      0.692876      5.174586
  N      -5.955870      1.577583      5.237530
  C      -5.705602      1.380522      6.550751
  C      -8.197408      2.189071      2.494604
  H      -7.695616      0.382255     -1.169405
  H      -6.112634      0.761400     -1.913158
  H      -6.568577     -0.940969     -1.521802
  H      -8.414080     -1.198786      0.483392
  H      -9.031706     -2.537396      2.496506
  H      -2.236338     -1.557079      5.045477
  H      -4.614155     -0.320171      2.291897
  H     -10.420550      9.433198      0.848858
  H      -9.188756     10.381952      0.005851
  H     -10.181872      9.189760     -0.905900
  H      -8.867401     10.008289      2.503451
  H      -7.367572     10.047709      4.493658
  H      -4.492811      4.128735      2.831207
  H      -6.411479      6.939407      0.732656
  H      -9.969314      3.297256     -1.630899
  H      -8.827804      4.499179     -0.934242
  H     -10.457123      4.363354     -0.277355
  H      -8.772385      5.307282      1.225926
  H      -7.901430      5.934471      3.478650
  H      -6.503405      1.258233      7.295103
  H      -8.330876      1.139691      2.235041
  N      -4.117077      1.885425      2.970595
  H      -4.551897      1.737299      2.022250
88
Coordinates from ORCA-job orca E -6669.290662515869
  N      -2.168188      0.593733      4.766722
  Mo     -3.875484      1.837599      4.672897
  N      -4.424245      1.439326      6.754378
  C      -3.684715      1.676557      7.971738
  C      -2.228263      1.848393      7.538761
  N      -2.103512      2.649093      6.290548
  C      -0.817329      2.376408      5.615111
  C      -0.802038      0.929422      5.114606
  C      -2.342526      4.090558      6.500528
  C      -3.779878      4.455377      6.131492
  N      -4.057208      3.835069      4.837369
  H      -0.147049      0.859048      4.232075
  H      -0.415943      0.228165      5.870912
  H      -0.752222      3.064032      4.761164
  H       0.042891      2.574778      6.276916
  H      -4.500160      4.088986      6.874771
  H      -3.898935      5.544553      6.053096
  H      -2.123251      4.381258      7.539480
  H      -1.667292      4.653612      5.843078
  H      -3.758419      0.836017      8.679868
  H      -4.065120      2.576166      8.483378
  H      -1.812577      0.854274      7.340633
  H      -1.625887      2.309107      8.338677
  C      -6.647298      0.046709     -1.202427
  C      -6.075637      0.251685      0.166237
  O      -5.271850      1.164907      0.400200
  C      -6.487863     -0.661546      1.270928
  C      -7.717165     -1.340691      1.323254
  C      -8.060166     -2.081440      2.453319
  C      -7.168012     -2.166171      3.521489
  F      -7.531202     -2.863038      4.606753
  C      -5.921598     -1.521288      3.492276
  C      -4.879853     -1.621819      4.550311
  O      -4.691615     -2.603128      5.256146
  N      -4.053096     -0.481303      4.605154
  C      -2.750147     -0.589697      4.838053
  C      -5.612160     -0.785024      2.348658
  C      -9.671479      9.423174      0.073814
  C      -8.666761      8.329844      0.334825
  O      -8.603231      7.333723     -0.383011
  C      -7.745346      8.468134      1.507162
  C      -7.996837      9.356156      2.567098
  C      -7.166235      9.379892      3.684415
  C      -6.083520      8.507504      3.739758
  F      -5.289900      8.548082      4.829274
  C      -5.779953      7.630545      2.688168
  C      -4.659811      6.641290      2.696703
  O      -3.959092      6.447361      1.711210
  N      -4.520182      5.935703      3.900341
  C      -4.375929      4.659675      3.790289
  C      -6.620280      7.639451      1.571176
  C      -9.607136      3.766371     -0.737419
  C      -9.157779      2.719553      0.247019
  O      -9.260675      1.518885      0.000545
  C      -8.586623      3.166762      1.557308
  C      -8.458738      4.523134      1.898844
  C      -7.958014      4.893037      3.144290
  C      -7.543089      3.899484      4.019208
  F      -7.095262      4.268320      5.244827
  C      -7.624902      2.535114      3.704325
  C      -7.262592      1.503643      4.721849
  O      -8.069738      0.696471      5.158228
  N      -5.956366      1.578509      5.227867
  C      -5.709057      1.377112      6.541121
  C      -8.189323      2.187990      2.477911
  H      -7.723441      0.283052     -1.184176
  H      -6.147642      0.706946     -1.919076
  H      -6.548508     -1.004656     -1.509434
  H      -8.432047     -1.253753      0.504774
  H      -9.023791     -2.585061      2.529981
  H      -2.226528     -1.536540      5.034655
  H      -4.633780     -0.317931      2.288369
  H     -10.418005      9.457096      0.883049
  H      -9.187127     10.410148      0.043003
  H     -10.183291      9.224318     -0.873618
  H      -8.855518     10.027130      2.533604
  H      -7.345120     10.061773      4.515909
  H      -4.492300      4.139976      2.829336
  H      -6.409463      6.962501      0.742253
  H      -9.948669      3.279580     -1.656641
  H      -8.800893      4.479152     -0.966415
  H     -10.432391      4.358475     -0.311533
  H      -8.755606      5.302593      1.195602
  H      -7.890013      5.936467      3.448300
  H      -6.508138      1.251390      7.283678
  H      -8.323246      1.137765      2.221551
  N      -4.136448      1.895846      2.964664
  H      -4.576106      1.742639      2.019913
88
Coordinates from ORCA-job orca E -6669.290761414964
  N      -2.166893      0.611789      4.743838
  Mo     -3.883734      1.844618      4.660579
  N      -4.431329      1.438122      6.742436
  C      -3.693485      1.671346      7.962038
  C      -2.236941      1.845710      7.531572
  N      -2.111111      2.656388      6.292102
  C      -0.824572      2.392547      5.616953
  C      -0.803733      0.949172      5.104513
  C      -2.360278      4.094118      6.509693
  C      -3.795458      4.457256      6.123680
  N      -4.059379      3.839162      4.825655
  H      -0.142827      0.888054      4.225746
  H      -0.420681      0.242114      5.856909
  H      -0.758999      3.086442      4.767881
  H       0.035412      2.587507      6.280355
  H      -4.522473      4.087183      6.858594
  H      -3.915287      5.546371      6.047193
  H      -2.159695      4.378028      7.554265
  H      -1.677813      4.666884      5.868392
  H      -3.769474      0.828446      8.667082
  H      -4.074951      2.568959      8.476552
  H      -1.822493      0.852841      7.324404
  H      -1.634869      2.296459      8.337664
  C      -6.653107     -0.022092     -1.210306
  C      -6.093565      0.212880      0.158810
  O      -5.295039      1.133433      0.381882
  C      -6.499473     -0.689803      1.274317
  C      -7.727804     -1.369900      1.339556
  C      -8.064046     -2.099057      2.478815
  C      -7.166522     -2.172214      3.543111
  F      -7.523986     -2.858014      4.637408
  C      -5.921030     -1.526099      3.501897
  C      -4.874955     -1.613601      4.557706
  O      -4.684413     -2.585851      5.274982
  N      -4.048604     -0.472157      4.593941
  C      -2.744661     -0.572823      4.824224
  C      -5.618491     -0.801065      2.349284
  C      -9.685805      9.427253      0.118577
  C      -8.668804      8.341010      0.361305
  O      -8.610832      7.345562     -0.357853
  C      -7.738423      8.478294      1.526412
  C      -7.985949      9.361270      2.591312
  C      -7.147062      9.385285      3.702352
  C      -6.060202      8.517823      3.746048
  F      -5.258389      8.558111      4.829687
  C      -5.760572      7.645592      2.689201
  C      -4.635162      6.661184      2.690287
  O      -3.926423      6.482738      1.708247
  N      -4.500593      5.944238      3.888099
  C      -4.365333      4.668438      3.776306
  C      -6.608859      7.654249      1.578384
  C      -9.578270      3.771836     -0.761562
  C      -9.137300      2.726901      0.228372
  O      -9.234522      1.525792     -0.018454
  C      -8.576192      3.175431      1.542807
  C      -8.448533      4.531885      1.884540
  C      -7.955641      4.901031      3.133729
  C      -7.548665      3.906756      4.011502
  F      -7.109285      4.274562      5.241143
  C      -7.630091      2.542831      3.695780
  C      -7.270950      1.509701      4.712586
  O      -8.082801      0.710643      5.154652
  N      -5.964046      1.579259      5.217191
  C      -5.716242      1.378213      6.530247
  C      -8.187071      2.196368      2.466200
  H      -7.733879      0.191555     -1.203004
  H      -6.162459      0.637406     -1.933891
  H      -6.529854     -1.075510     -1.501025
  H      -8.446803     -1.294055      0.523608
  H      -9.026676     -2.603056      2.565243
  H      -2.216337     -1.515125      5.030542
  H      -4.640532     -0.334383      2.278952
  H     -10.422536      9.448823      0.937291
  H      -9.210099     10.418369      0.088359
  H     -10.207754      9.230352     -0.823665
  H      -8.848537     10.027532      2.566830
  H      -7.322958     10.063322      4.537621
  H      -4.480277      4.149056      2.815065
  H      -6.401417      6.980660      0.746072
  H      -9.911113      3.283040     -1.682947
  H      -8.769682      4.483692     -0.984870
  H     -10.407561      4.364145     -0.343914
  H      -8.737982      5.312068      1.179011
  H      -7.888017      5.944437      3.438156
  H      -6.515171      1.252372      7.273083
  H      -8.318945      1.146223      2.208276
  N      -4.154919      1.900020      2.954463
  H      -4.598645      1.737164      2.013366
88
Coordinates from ORCA-job orca E -6669.290813681351
  N      -2.167340      0.625721      4.724566
  Mo     -3.894909      1.847277      4.654353
  N      -4.436396      1.438190      6.738679
  C      -3.698859      1.673655      7.958228
  C      -2.242314      1.845170      7.527009
  N      -2.115161      2.660695      6.292746
  C      -0.829778      2.402196      5.616976
  C      -0.806330      0.962114      5.096417
  C      -2.368465      4.094981      6.515651
  C      -3.801377      4.459299      6.118590
  N      -4.058888      3.841351      4.818622
  H      -0.139417      0.905955      4.221918
  H      -0.428360      0.250553      5.847096
  H      -0.764175      3.100007      4.770926
  H       0.031065      2.594379      6.280378
  H      -4.532893      4.090600      6.849741
  H      -3.918741      5.548439      6.041416
  H      -2.181348      4.372375      7.564476
  H      -1.680122      4.674224      5.886607
  H      -3.777338      0.832687      8.665295
  H      -4.079305      2.572753      8.471020
  H      -1.831663      0.851874      7.314187
  H      -1.638138      2.287916      8.336258
  C      -6.683917     -0.018904     -1.196026
  C      -6.125415      0.219897      0.172954
  O      -5.332459      1.145538      0.395404
  C      -6.518534     -0.689563      1.287033
  C      -7.741142     -1.380137      1.356330
  C      -8.064842     -2.115751      2.495180
  C      -7.161505     -2.184240      3.554686
  F      -7.507284     -2.877893      4.648343
  C      -5.920969     -1.528604      3.509024
  C      -4.869832     -1.611322      4.560815
  O      -4.680041     -2.577422      5.286052
  N      -4.044566     -0.469361      4.584933
  C      -2.739965     -0.560395      4.814213
  C      -5.631243     -0.797583      2.357170
  C      -9.688098      9.414527      0.139887
  C      -8.664731      8.333464      0.379480
  O      -8.595240      7.344392     -0.347649
  C      -7.731926      8.474891      1.541971
  C      -7.983504      9.351871      2.610724
  C      -7.141604      9.378504      3.719647
  C      -6.047962      8.519447      3.756972
  F      -5.243722      8.561476      4.838890
  C      -5.744957      7.653118      2.696244
  C      -4.612854      6.675528      2.692401
  O      -3.903613      6.503658      1.710471
  N      -4.476739      5.953389      3.887015
  C      -4.353110      4.677452      3.771584
  C      -6.595442      7.659996      1.587526
  C      -9.556193      3.761947     -0.786650
  C      -9.124792      2.718946      0.209389
  O      -9.223378      1.517323     -0.034549
  C      -8.565999      3.169796      1.524187
  C      -8.435299      4.527135      1.860723
  C      -7.942305      4.899287      3.109071
  C      -7.539890      3.906936      3.990754
  F      -7.095947      4.277992      5.217911
  C      -7.627342      2.542217      3.681775
  C      -7.274175      1.512385      4.704607
  O      -8.087124      0.714124      5.145150
  N      -5.967002      1.579292      5.211180
  C      -5.721352      1.381811      6.525460
  C      -8.182093      2.192672      2.451814
  H      -7.769082      0.169807     -1.186665
  H      -6.208834      0.653937     -1.917702
  H      -6.537370     -1.067854     -1.492541
  H      -8.464873     -1.310583      0.544026
  H      -9.022171     -2.629286      2.584422
  H      -2.204926     -1.497281      5.028510
  H      -4.657160     -0.323024      2.282609
  H     -10.426306      9.425273      0.957490
  H      -9.218377     10.408676      0.116829
  H     -10.207294      9.220663     -0.804442
  H      -8.852067     10.010417      2.591533
  H      -7.320850     10.051539      4.558232
  H      -4.469613      4.160358      2.809054
  H      -6.384233      6.991507      0.752197
  H      -9.887126      3.270414     -1.707244
  H      -8.741738      4.467395     -1.009183
  H     -10.383605      4.361315     -0.375580
  H      -8.720933      5.306231      1.152377
  H      -7.871013      5.943661      3.409424
  H      -6.521929      1.258674      7.266997
  H      -8.317364      1.141888      2.198035
  N      -4.175209      1.903868      2.950722
  H      -4.620500      1.735674      2.011093
88
Coordinates from ORCA-job orca E -6669.290881499196
  N      -2.170777      0.624398      4.721945
  Mo     -3.895959      1.848971      4.653127
  N      -4.430757      1.437804      6.741233
  C      -3.691387      1.672349      7.959476
  C      -2.236329      1.844812      7.525381
  N      -2.110095      2.659602      6.290078
  C      -0.826608      2.397989      5.610740
  C      -0.807701      0.956074      5.091740
  C      -2.363466      4.094328      6.512497
  C      -3.799468      4.457082      6.120069
  N      -4.057253      3.840151      4.819520
  H      -0.140406      0.895630      4.217852
  H      -0.432152      0.245071      5.844179
  H      -0.762238      3.093975      4.763063
  H       0.036705      2.589798      6.271034
  H      -4.527092      4.083965      6.852602
  H      -3.919753      5.545971      6.045658
  H      -2.174366      4.372159      7.560859
  H      -1.677870      4.673922      5.880800
  H      -3.768110      0.830442      8.665695
  H      -4.071312      2.569671      8.475975
  H      -1.825221      0.851647      7.312868
  H      -1.631049      2.287369      8.334017
  C      -6.661516     -0.042771     -1.207291
  C      -6.110471      0.202866      0.163398
  O      -5.324135      1.134500      0.385987
  C      -6.512642     -0.696704      1.281194
  C      -7.739652     -1.379768      1.350273
  C      -8.071859     -2.105410      2.493128
  C      -7.173132     -2.171129      3.556618
  F      -7.527214     -2.855384      4.653602
  C      -5.927930     -1.523934      3.510922
  C      -4.880709     -1.607251      4.566866
  O      -4.698445     -2.570712      5.297052
  N      -4.048688     -0.470654      4.584593
  C      -2.748601     -0.563380      4.810760
  C      -5.629914     -0.803571      2.355056
  C      -9.689577      9.415589      0.127963
  C      -8.668004      8.333172      0.369146
  O      -8.593727      7.347373     -0.362158
  C      -7.739995      8.471263      1.535762
  C      -7.996998      9.343255      2.607293
  C      -7.158909      9.366794      3.719159
  C      -6.063515      8.509947      3.756577
  F      -5.262964      8.550337      4.841270
  C      -5.755228      7.648265      2.693447
  C      -4.619399      6.674542      2.688026
  O      -3.909108      6.506593      1.706534
  N      -4.479594      5.953145      3.883481
  C      -4.357155      4.677295      3.769409
  C      -6.602201      7.658185      1.582051
  C      -9.550847      3.783457     -0.774386
  C      -9.111083      2.736704      0.214005
  O      -9.208397      1.536001     -0.035096
  C      -8.560231      3.182136      1.534004
  C      -8.437178      4.538276      1.877970
  C      -7.948175      4.906140      3.129323
  C      -7.543321      3.910821      4.006251
  F      -7.099597      4.276508      5.235457
  C      -7.626429      2.547509      3.690872
  C      -7.273656      1.517815      4.713736
  O      -8.088116      0.724440      5.159617
  N      -5.963406      1.578982      5.214823
  C      -5.715983      1.381822      6.529116
  C      -8.175866      2.201476      2.457596
  H      -7.748197      0.136912     -1.202927
  H      -6.188867      0.632311     -1.928384
  H      -6.505544     -1.090976     -1.501960
  H      -8.460112     -1.312402      0.534935
  H      -9.032238     -2.613276      2.582171
  H      -2.213536     -1.500562      5.024258
  H      -4.651954     -0.337100      2.279632
  H     -10.431898      9.421597      0.941918
  H      -9.219037     10.409473      0.112822
  H     -10.204039      9.227093     -0.819973
  H      -8.866764     10.000178      2.587807
  H      -7.342268     10.036047      4.559867
  H      -4.474699      4.158180      2.807892
  H      -6.386521      6.993973      0.744603
  H      -9.884575      3.295046     -1.695594
  H      -8.737921      4.490677     -0.997374
  H     -10.376787      4.380113     -0.356682
  H      -8.724347      5.320158      1.173359
  H      -7.880845      5.949251      3.434878
  H      -6.517023      1.260663      7.270468
  H      -8.305982      1.151503      2.197982
  N      -4.180091      1.901712      2.951204
  H      -4.621456      1.735226      2.008726
88
Coordinates from ORCA-job orca E -6669.290937470969
  N      -2.169474      0.616598      4.729707
  Mo     -3.891828      1.844679      4.654826
  N      -4.433191      1.438187      6.743519
  C      -3.697379      1.679690      7.962561
  C      -2.240406      1.848226      7.532508
  N      -2.110125      2.656051      6.292798
  C      -0.825423      2.389542      5.617619
  C      -0.807690      0.946131      5.104848
  C      -2.357891      4.092442      6.508679
  C      -3.790826      4.458770      6.116747
  N      -4.053121      3.837591      4.819805
  H      -0.136308      0.879813      4.234528
  H      -0.437676      0.237820      5.862522
  H      -0.757571      3.081944      4.767348
  H       0.036323      2.582473      6.279584
  H      -4.519586      4.094492      6.852635
  H      -3.906009      5.547885      6.036355
  H      -2.166675      4.374001      7.555742
  H      -1.670308      4.666371      5.873918
  H      -3.775725      0.841462      8.673004
  H      -4.078656      2.580049      8.472609
  H      -1.828832      0.853776      7.327004
  H      -1.637147      2.296669      8.339287
  C      -6.655247     -0.003559     -1.204477
  C      -6.095196      0.221551      0.165936
  O      -5.298771      1.143585      0.393352
  C      -6.500942     -0.684486      1.277002
  C      -7.729932     -1.364467      1.339997
  C      -8.065466     -2.097064      2.477661
  C      -7.168562     -2.171675      3.542273
  F      -7.527014     -2.861101      4.634350
  C      -5.921841     -1.526804      3.502814
  C      -4.878723     -1.614518      4.562388
  O      -4.702511     -2.578524      5.293589
  N      -4.043632     -0.480167      4.583587
  C      -2.745141     -0.570898      4.816211
  C      -5.620073     -0.801136      2.351271
  C      -9.688939      9.399958      0.116287
  C      -8.661450      8.322541      0.354831
  O      -8.591286      7.332286     -0.370788
  C      -7.736418      8.460887      1.523767
  C      -7.996603      9.333191      2.594314
  C      -7.160996      9.357948      3.708026
  C      -6.064638      8.502284      3.748310
  F      -5.266617      8.544314      4.834761
  C      -5.753020      7.640662      2.686140
  C      -4.616800      6.667755      2.682102
  O      -3.908985      6.496478      1.699063
  N      -4.475250      5.948172      3.878909
  C      -4.350672      4.672065      3.765240
  C      -6.598617      7.648355      1.573492
  C      -9.581276      3.787557     -0.756534
  C      -9.141203      2.740002      0.230967
  O      -9.235859      1.539636     -0.020072
  C      -8.577969      3.184294      1.546332
  C      -8.445660      4.539924      1.888511
  C      -7.946604      4.906744      3.136184
  C      -7.539555      3.910363      4.011151
  F      -7.088279      4.275474      5.237498
  C      -7.630799      2.546973      3.696776
  C      -7.276508      1.514664      4.715695
  O      -8.089344      0.717831      5.158660
  N      -5.965946      1.575613      5.216105
  C      -5.718050      1.380838      6.529836
  C      -8.191175      2.202832      2.467821
  H      -7.741406      0.177271     -1.192133
  H      -6.184811      0.680251     -1.918684
  H      -6.502188     -1.047940     -1.514713
  H      -8.450071     -1.288282      0.525140
  H      -9.027495     -2.602466      2.562425
  H      -2.208604     -1.506995      5.031024
  H      -4.641426     -0.335664      2.280650
  H     -10.427612      9.405427      0.933605
  H      -9.222828     10.395841      0.096098
  H     -10.206986      9.206666     -0.828740
  H      -8.866727      9.989606      2.572597
  H      -7.346509     10.027374      4.548127
  H      -4.465327      4.152183      2.803864
  H      -6.381786      6.982115      0.737748
  H      -9.916997      3.299574     -1.677248
  H      -8.768435      4.494640     -0.980302
  H     -10.406284      4.384699     -0.337737
  H      -8.735718      5.322081      1.185639
  H      -7.873795      5.949755      3.440760
  H      -6.519313      1.262173      7.271470
  H      -8.329010      1.153249      2.210748
  N      -4.162664      1.901076      2.950725
  H      -4.597845      1.735839      2.004886
88
Coordinates from ORCA-job orca E -6669.290992094249
  N      -2.170494      0.618583      4.730341
  Mo     -3.891515      1.848822      4.654598
  N      -4.430408      1.438780      6.744837
  C      -3.691967      1.674636      7.963458
  C      -2.235209      1.842940      7.533251
  N      -2.105123      2.653392      6.295621
  C      -0.822473      2.387418      5.617069
  C      -0.807274      0.945306      5.102255
  C      -2.351566      4.089520      6.512504
  C      -3.783651      4.457278      6.118206
  N      -4.042564      3.839613      4.818639
  H      -0.137361      0.878739      4.230801
  H      -0.436956      0.235870      5.858775
  H      -0.757252      3.081015      4.767649
  H       0.041638      2.578959      6.276429
  H      -4.514284      4.090145      6.850683
  H      -3.898661      5.546602      6.040292
  H      -2.161321      4.371218      7.559824
  H      -1.663136      4.663331      5.878572
  H      -3.770868      0.834474      8.671606
  H      -4.070917      2.574146      8.476659
  H      -1.824333      0.848351      7.326364
  H      -1.631502      2.289744      8.340664
  C      -6.658403      0.028828     -1.202537
  C      -6.091450      0.240726      0.166562
  O      -5.284750      1.153739      0.394859
  C      -6.499389     -0.669092      1.274037
  C      -7.730980     -1.344181      1.334552
  C      -8.070608     -2.078486      2.469957
  C      -7.174755     -2.159920      3.534979
  F      -7.538970     -2.847131      4.626266
  C      -5.925278     -1.520266      3.498112
  C      -4.884907     -1.611261      4.560426
  O      -4.715303     -2.574629      5.294267
  N      -4.045967     -0.479972      4.583750
  C      -2.745938     -0.569913      4.813984
  C      -5.619069     -0.793190      2.348165
  C      -9.679168      9.372096      0.094686
  C      -8.648159      8.300018      0.341149
  O      -8.565986      7.310795     -0.384444
  C      -7.732324      8.443845      1.517038
  C      -8.007190      9.311180      2.588164
  C      -7.180271      9.339001      3.708234
  C      -6.077315      8.492024      3.754339
  F      -5.288005      8.536309      4.846925
  C      -5.750339      7.637263      2.691544
  C      -4.606574      6.674556      2.691567
  O      -3.890757      6.513126      1.712605
  N      -4.465164      5.951167      3.886918
  C      -4.337059      4.676172      3.766929
  C      -6.588361      7.640650      1.572893
  C      -9.595382      3.782449     -0.747678
  C      -9.150380      2.735508      0.238669
  O      -9.250486      1.534954     -0.008955
  C      -8.583314      3.181646      1.551613
  C      -8.448568      4.537867      1.890160
  C      -7.947108      4.907566      3.135900
  C      -7.539202      3.912897      4.012537
  F      -7.088134      4.280631      5.237975
  C      -7.632083      2.548580      3.701712
  C      -7.278187      1.519857      4.724811
  O      -8.094184      0.732260      5.178824
  N      -5.966583      1.580787      5.220891
  C      -5.715306      1.382588      6.534258
  C      -8.195957      2.201927      2.475014
  H      -7.742975      0.218981     -1.184507
  H      -6.184995      0.713297     -1.914117
  H      -6.515325     -1.014966     -1.519695
  H      -8.450925     -1.260766      0.520224
  H      -9.035400     -2.578783      2.553307
  H      -2.206843     -1.505766      5.023727
  H      -4.639209     -0.329899      2.280147
  H     -10.425331      9.372481      0.905174
  H      -9.218708     10.370706      0.080062
  H     -10.187335      9.176655     -0.855279
  H      -8.882002      9.961232      2.561673
  H      -7.377339     10.004365      4.548930
  H      -4.451370      4.158470      2.804649
  H      -6.361017      6.977397      0.737298
  H      -9.941069      3.293792     -1.664318
  H      -8.781556      4.485373     -0.980676
  H     -10.413868      4.384255     -0.323030
  H      -8.740077      5.318156      1.185852
  H      -7.873618      5.951216      3.437978
  H      -6.514977      1.262373      7.277259
  H      -8.336416      1.152001      2.221268
  N      -4.165865      1.899791      2.951617
  H      -4.600201      1.731299      2.005143
88
Coordinates from ORCA-job orca E -6669.291039499857
  N      -2.173679      0.622043      4.727399
  Mo     -3.896393      1.851260      4.655415
  N      -4.430395      1.438195      6.747489
  C      -3.689979      1.672799      7.965170
  C      -2.233211      1.840972      7.533671
  N      -2.104060      2.653118      6.297902
  C      -0.823519      2.388015      5.615960
  C      -0.809967      0.947179      5.098839
  C      -2.349091      4.088953      6.516058
  C      -3.780283      4.458622      6.120637
  N      -4.039750      3.841348      4.820754
  H      -0.139995      0.880726      4.227415
  H      -0.440380      0.236790      5.854910
  H      -0.761005      3.082791      4.767241
  H       0.042823      2.578435      6.272787
  H      -4.511879      4.091578      6.852253
  H      -3.894538      5.547982      6.042436
  H      -2.159580      4.370260      7.563647
  H      -1.659662      4.662660      5.883152
  H      -3.768491      0.832425      8.673128
  H      -4.067684      2.572213      8.479466
  H      -1.823255      0.846335      7.325018
  H      -1.628526      2.285815      8.341516
  C      -6.658737      0.034899     -1.200818
  C      -6.092162      0.244341      0.168704
  O      -5.285602      1.157531      0.398225
  C      -6.500229     -0.666821      1.274759
  C      -7.731511     -1.342777      1.333731
  C      -8.071008     -2.079404      2.467707
  C      -7.175672     -2.161451      3.533243
  F      -7.539653     -2.851241      4.622989
  C      -5.926854     -1.520378      3.498133
  C      -4.887537     -1.611034      4.561252
  O      -4.719775     -2.572952      5.297389
  N      -4.047600     -0.480534      4.582546
  C      -2.747256     -0.568164      4.808334
  C      -5.620630     -0.791620      2.349329
  C      -9.677165      9.373112      0.091941
  C      -8.648964      8.299075      0.341319
  O      -8.565773      7.310250     -0.384682
  C      -7.733328      8.443225      1.517321
  C      -8.008386      9.310577      2.588477
  C      -7.181967      9.338064      3.708887
  C      -6.078978      8.491115      3.755308
  F      -5.290328      8.534759      4.848297
  C      -5.751706      7.636587      2.692469
  C      -4.608005      6.674161      2.692012
  O      -3.894604      6.510452      1.711760
  N      -4.462849      5.952675      3.888799
  C      -4.334310      4.678011      3.768511
  C      -6.589356      7.640222      1.573436
  C      -9.594221      3.776527     -0.748975
  C      -9.151408      2.730688      0.239524
  O      -9.249795      1.529838     -0.007462
  C      -8.583780      3.178544      1.551682
  C      -8.447412      4.535229      1.887401
  C      -7.944274      4.906958      3.131884
  C      -7.537145      3.913614      4.010338
  F      -7.082543      4.283165      5.233660
  C      -7.631954      2.548766      3.702474
  C      -7.278289      1.522316      4.727914
  O      -8.093983      0.734671      5.182636
  N      -5.966740      1.583578      5.224100
  C      -5.715405      1.384370      6.537797
  C      -8.196755      2.200188      2.476812
  H      -7.744835      0.216073     -1.181262
  H      -6.190706      0.725925     -1.909610
  H      -6.507635     -1.006341     -1.522579
  H      -8.450763     -1.258746      0.518880
  H      -9.035048     -2.581390      2.549580
  H      -2.204692     -1.502974      5.013935
  H      -4.640624     -0.328578      2.282230
  H     -10.425150      9.375146      0.900760
  H      -9.214876     10.370896      0.078090
  H     -10.183541      9.178267     -0.859098
  H      -8.883080      9.960776      2.561795
  H      -7.379545     10.003155      4.549683
  H      -4.448377      4.159861      2.806573
  H      -6.362169      6.976738      0.738026
  H      -9.941798      3.286588     -1.664203
  H      -8.777820      4.475940     -0.983953
  H     -10.409957      4.382911     -0.325662
  H      -8.737835      5.314519      1.181472
  H      -7.868857      5.951134      3.431579
  H      -6.515143      1.263826      7.280684
  H      -8.338202      1.149785      2.225234
  N      -4.175114      1.899705      2.953358
  H      -4.609015      1.728651      2.006504
88
Coordinates from ORCA-job orca E -6669.291105048536
  N      -2.180610      0.629906      4.723439
  Mo     -3.904653      1.859658      4.659277
  N      -4.432624      1.438338      6.753542
  C      -3.690516      1.669671      7.970815
  C      -2.232639      1.836302      7.539763
  N      -2.102796      2.652459      6.308855
  C      -0.825736      2.388332      5.621226
  C      -0.816350      0.950898      5.096450
  C      -2.343449      4.087977      6.531519
  C      -3.770806      4.464799      6.130587
  N      -4.030684      3.849248      4.829951
  H      -0.145726      0.886296      4.225365
  H      -0.449174      0.236645      5.850198
  H      -0.765979      3.087202      4.775514
  H       0.044271      2.573861      6.274743
  H      -4.507257      4.100110      6.858730
  H      -3.881219      5.554530      6.051484
  H      -2.157723      4.366403      7.580546
  H      -1.648755      4.661338      5.904081
  H      -3.769935      0.828477      8.677640
  H      -4.066353      2.569142      8.486432
  H      -1.825288      0.841453      7.327161
  H      -1.627335      2.275906      8.350137
  C      -6.663954      0.049435     -1.202638
  C      -6.099472      0.255129      0.168351
  O      -5.296540      1.170948      0.402052
  C      -6.503954     -0.662136      1.270054
  C      -7.732011     -1.344536      1.325404
  C      -8.068618     -2.087043      2.456114
  C      -7.174114     -2.167394      3.522688
  F      -7.535643     -2.863287      4.609196
  C      -5.928281     -1.520277      3.491070
  C      -4.890382     -1.608973      4.555412
  O      -4.725891     -2.568069      5.296000
  N      -4.050579     -0.478228      4.577542
  C      -2.750050     -0.562894      4.795665
  C      -5.624665     -0.786568      2.344808
  C      -9.678908      9.365125      0.094297
  C      -8.653166      8.289937      0.348557
  O      -8.572758      7.297312     -0.372494
  C      -7.731850      8.441076      1.519196
  C      -8.001682      9.315138      2.586311
  C      -7.171040      9.348279      3.703293
  C      -6.068572      8.500670      3.750478
  F      -5.275924      8.549606      4.840129
  C      -5.746060      7.639828      2.691152
  C      -4.603810      6.676156      2.691578
  O      -3.895618      6.505031      1.708885
  N      -4.454231      5.959259      3.891947
  C      -4.322720      4.684898      3.773912
  C      -6.588127      7.637953      1.575194
  C      -9.601753      3.756624     -0.750431
  C      -9.156135      2.715350      0.241453
  O      -9.260436      1.513366      0.002411
  C      -8.586295      3.169436      1.550602
  C      -8.444003      4.527634      1.877493
  C      -7.937334      4.905389      3.118716
  C      -7.532855      3.916404      4.003236
  F      -7.074905      4.292111      5.222976
  C      -7.633506      2.549957      3.704034
  C      -7.279936      1.527773      4.733117
  O      -8.093966      0.736992      5.186040
  N      -5.969257      1.591201      5.230886
  C      -5.717713      1.389181      6.544779
  C      -8.201719      2.195661      2.481724
  H      -7.754036      0.203093     -1.180440
  H      -6.212212      0.758453     -1.904140
  H      -6.487785     -0.984487     -1.535352
  H      -8.450384     -1.260210      0.509911
  H      -9.029724     -2.595065      2.535277
  H      -2.201964     -1.496809      4.990407
  H      -4.645847     -0.320970      2.279805
  H     -10.425089      9.374902      0.904727
  H      -9.214444     10.361772      0.072545
  H     -10.187893      9.164941     -0.854246
  H      -8.875976      9.965852      2.559538
  H      -7.365291     10.018111      4.541106
  H      -4.432440      4.165084      2.812472
  H      -6.366097      6.968557      0.743356
  H      -9.959240      3.262302     -1.659438
  H      -8.782408      4.449078     -0.996255
  H     -10.409627      4.372472     -0.325681
  H      -8.731338      5.303725      1.166666
  H      -7.857524      5.951110      3.411575
  H      -6.517355      1.267938      7.287692
  H      -8.346868      1.143981      2.237177
  N      -4.187695      1.906681      2.957769
  H      -4.619920      1.730598      2.010322
88
Coordinates from ORCA-job orca E -6669.291138885893
  N      -2.184368      0.640873      4.717284
  Mo     -3.913953      1.864214      4.660151
  N      -4.432270      1.431879      6.756054
  C      -3.687477      1.659340      7.972331
  C      -2.230550      1.832136      7.539234
  N      -2.105007      2.654836      6.314098
  C      -0.830851      2.398319      5.619616
  C      -0.819363      0.964664      5.085716
  C      -2.348417      4.088245      6.543504
  C      -3.775207      4.465486      6.138799
  N      -4.032092      3.852981      4.835978
  H      -0.152198      0.907420      4.211442
  H      -0.446876      0.246903      5.833532
  H      -0.777209      3.102541      4.777859
  H       0.042315      2.582393      6.269473
  H      -4.513646      4.097038      6.863104
  H      -3.887622      5.555195      6.062261
  H      -2.166582      4.362704      7.594213
  H      -1.652474      4.666194      5.921601
  H      -3.763273      0.814846      8.675492
  H      -4.064534      2.555815      8.492317
  H      -1.821805      0.839076      7.320681
  H      -1.625793      2.267563      8.352400
  C      -6.665674      0.048086     -1.203142
  C      -6.103415      0.254639      0.168662
  O      -5.302282      1.171599      0.403819
  C      -6.506403     -0.664411      1.269613
  C      -7.733790     -1.347947      1.326907
  C      -8.067884     -2.090954      2.457920
  C      -7.171456     -2.170983      3.523090
  F      -7.530525     -2.867249      4.610098
  C      -5.926104     -1.523091      3.489093
  C      -4.884798     -1.611204      4.549834
  O      -4.714125     -2.571483      5.287661
  N      -4.050264     -0.476792      4.572397
  C      -2.747947     -0.556710      4.780418
  C      -5.625065     -0.788858      2.342498
  C      -9.667442      9.377742      0.084633
  C      -8.646208      8.299147      0.342232
  O      -8.571355      7.302834     -0.374247
  C      -7.726401      8.448936      1.514389
  C      -7.995641      9.325529      2.579643
  C      -7.167587      9.357561      3.698475
  C      -6.068098      8.506367      3.749517
  F      -5.277761      8.554268      4.840740
  C      -5.745836      7.643040      2.692050
  C      -4.605968      6.677015      2.696586
  O      -3.896074      6.502816      1.715560
  N      -4.458500      5.962904      3.899159
  C      -4.325539      4.688674      3.781356
  C      -6.585530      7.641881      1.574066
  C      -9.601242      3.746008     -0.747769
  C      -9.168247      2.705365      0.250289
  O      -9.274165      1.503192      0.012642
  C      -8.592299      3.160719      1.556045
  C      -8.442647      4.519363      1.878356
  C      -7.931990      4.898452      3.117446
  C      -7.529419      3.910521      4.003895
  F      -7.065945      4.287882      5.221075
  C      -7.636216      2.543730      3.708767
  C      -7.281426      1.523384      4.739172
  O      -8.094349      0.731651      5.192810
  N      -5.971451      1.590643      5.236837
  C      -5.717090      1.380229      6.549888
  C      -8.209248      2.188095      2.489149
  H      -7.757329      0.189237     -1.180768
  H      -6.221090      0.764012     -1.902164
  H      -6.477521     -0.982959     -1.538457
  H      -8.453432     -1.262937      0.512648
  H      -9.028534     -2.599609      2.538771
  H      -2.194019     -1.489547      4.963001
  H      -4.646107     -0.323837      2.275844
  H     -10.414201      9.393415      0.894417
  H      -9.198976     10.372439      0.060249
  H     -10.176522      9.176603     -0.863686
  H      -8.867486      9.979410      2.549741
  H      -7.361698     10.029395      4.534717
  H      -4.432847      4.168862      2.819588
  H      -6.363658      6.970854      0.743304
  H      -9.964279      3.251232     -1.654306
  H      -8.773019      4.426617     -0.997205
  H     -10.401059      4.374864     -0.327004
  H      -8.727137      5.294750      1.165514
  H      -7.847082      5.944605      3.407120
  H      -6.515133      1.254211      7.293691
  H      -8.359118      1.136284      2.247943
  N      -4.203877      1.910296      2.959825
  H      -4.634141      1.732062      2.011889
88
Coordinates from ORCA-job orca E -6669.291176883893
  N      -2.186370      0.641893      4.721584
  Mo     -3.915404      1.865091      4.661853
  N      -4.435959      1.432431      6.756397
  C      -3.692051      1.659307      7.973571
  C      -2.234607      1.832802      7.542308
  N      -2.107733      2.656723      6.318318
  C      -0.833275      2.400608      5.624190
  C      -0.821225      0.967229      5.088806
  C      -2.351642      4.089842      6.548938
  C      -3.776766      4.468408      6.139296
  N      -4.030268      3.854723      4.836808
  H      -0.155285      0.911850      4.213448
  H      -0.447082      0.248693      5.835009
  H      -0.778360      3.105816      4.783322
  H       0.039435      2.583862      6.274925
  H      -4.518205      4.102126      6.861738
  H      -3.887782      5.558176      6.061482
  H      -2.173917      4.362548      7.600756
  H      -1.652680      4.668811      5.931336
  H      -3.768529      0.814252      8.675943
  H      -4.070028      2.555612      8.493180
  H      -1.825484      0.839944      7.323262
  H      -1.631738      2.267288      8.357397
  C      -6.668985      0.049830     -1.202181
  C      -6.102237      0.252852      0.168471
  O      -5.298057      1.167019      0.403075
  C      -6.504520     -0.667232      1.269136
  C      -7.731952     -1.350526      1.327815
  C      -8.063747     -2.095677      2.457998
  C      -7.165449     -2.177631      3.521470
  F      -7.522262     -2.875849      4.607965
  C      -5.920707     -1.528698      3.486634
  C      -4.877787     -1.616467      4.545833
  O      -4.700275     -2.580506      5.277226
  N      -4.049044     -0.477964      4.574067
  C      -2.746529     -0.556442      4.780040
  C      -5.621551     -0.792775      2.340607
  C      -9.672368      9.376759      0.092426
  C      -8.651677      8.297141      0.348160
  O      -8.580368      7.299988     -0.367484
  C      -7.725543      8.448938      1.515081
  C      -7.988242      9.329564      2.578514
  C      -7.154738      9.364196      3.693201
  C      -6.056658      8.511137      3.741838
  F      -5.260821      8.561457      4.828989
  C      -5.740960      7.643346      2.685935
  C      -4.602869      6.674968      2.690254
  O      -3.894506      6.497994      1.708453
  N      -4.456757      5.962798      3.893684
  C      -4.321959      4.688156      3.778890
  C      -6.585779      7.639845      1.571880
  C      -9.606169      3.747251     -0.747791
  C      -9.170948      2.706798      0.249414
  O      -9.279426      1.504580      0.012933
  C      -8.594167      3.162077      1.554671
  C      -8.442525      4.520720      1.876942
  C      -7.931733      4.898992      3.116192
  C      -7.530789      3.910628      4.002984
  F      -7.069018      4.287756      5.221109
  C      -7.638441      2.544066      3.707459
  C      -7.282568      1.521120      4.734872
  O      -8.093622      0.724223      5.182811
  N      -5.974562      1.592890      5.236612
  C      -5.720728      1.380893      6.549609
  C      -8.211961      2.189248      2.487720
  H      -7.760266      0.192719     -1.177098
  H      -6.224840      0.766010     -1.901255
  H      -6.483106     -0.981076     -1.539329
  H      -8.452816     -1.264313      0.514740
  H      -9.024175     -2.604629      2.539653
  H      -2.191288     -1.489506      4.956949
  H      -4.642850     -0.327269      2.273599
  H     -10.416107      9.395760      0.904873
  H      -9.202485     10.370680      0.063828
  H     -10.185333      9.174145     -0.853508
  H      -8.859134      9.984782      2.550477
  H      -7.343531     10.039401      4.527939
  H      -4.426336      4.166756      2.817699
  H      -6.368572      6.966180      0.742016
  H      -9.972395      3.252711     -1.653194
  H      -8.778234      4.427060     -1.000147
  H     -10.404400      4.376642     -0.324750
  H      -8.725955      5.296588      1.164179
  H      -7.846021      5.945078      3.406036
  H      -6.518660      1.254566      7.293499
  H      -8.362460      1.137535      2.246306
  N      -4.202452      1.909703      2.960628
  H      -4.631551      1.728494      2.012918
88
Coordinates from ORCA-job orca E -6669.291218109521
  N      -2.191313      0.646535      4.727083
  Mo     -3.919528      1.868947      4.665120
  N      -4.438689      1.433797      6.758568
  C      -3.694692      1.656991      7.976592
  C      -2.237582      1.832234      7.545905
  N      -2.110987      2.660376      6.324838
  C      -0.837337      2.406436      5.628683
  C      -0.824861      0.974417      5.087973
  C      -2.356833      4.092213      6.560074
  C      -3.779942      4.472765      6.143019
  N      -4.027305      3.859618      4.839741
  H      -0.164015      0.924589      4.208410
  H      -0.444773      0.253209      5.828462
  H      -0.781320      3.114785      4.790583
  H       0.035679      2.587083      6.279829
  H      -4.525340      4.108098      6.862287
  H      -3.888766      5.562775      6.065762
  H      -2.187263      4.359169      7.614673
  H      -1.653349      4.675299      5.951555
  H      -3.771401      0.809433      8.675850
  H      -4.073472      2.551648      8.498514
  H      -1.828027      0.840299      7.323378
  H      -1.636185      2.263516      8.363850
  C      -6.680629      0.058169     -1.202633
  C      -6.109895      0.259737      0.166740
  O      -5.306880      1.174487      0.401245
  C      -6.508079     -0.663627      1.266625
  C      -7.734226     -1.348911      1.327215
  C      -8.061838     -2.096576      2.456787
  C      -7.160304     -2.180430      3.517117
  F      -7.513191     -2.880956      4.603524
  C      -5.916174     -1.530786      3.479867
  C      -4.868063     -1.622215      4.534375
  O      -4.680465     -2.594091      5.252771
  N      -4.050180     -0.476435      4.576885
  C      -2.746747     -0.553190      4.777545
  C      -5.621549     -0.790730      2.335285
  C      -9.672237      9.363295      0.095345
  C      -8.644908      8.289164      0.348051
  O      -8.574458      7.289628     -0.364490
  C      -7.717122      8.445280      1.513083
  C      -7.980063      9.328234      2.574310
  C      -7.144384      9.368375      3.687337
  C      -6.044548      8.517733      3.736312
  F      -5.245924      8.573733      4.821309
  C      -5.729098      7.646999      2.682656
  C      -4.588447      6.680798      2.689873
  O      -3.876100      6.506340      1.710520
  N      -4.447402      5.968553      3.892888
  C      -4.313874      4.693273      3.779918
  C      -6.575645      7.638284      1.570212
  C      -9.612637      3.741534     -0.746069
  C      -9.177732      2.701522      0.251745
  O      -9.295225      1.499267      0.019698
  C      -8.597741      3.157368      1.555191
  C      -8.441642      4.516462      1.874498
  C      -7.928694      4.895385      3.112516
  C      -7.529478      3.907662      4.000743
  F      -7.068197      4.286914      5.218811
  C      -7.640516      2.540834      3.707952
  C      -7.284428      1.516832      4.734270
  O      -8.093071      0.714849      5.177078
  N      -5.978384      1.595819      5.239972
  C      -5.723359      1.379956      6.552316
  C      -8.217311      2.185374      2.489603
  H      -7.771491      0.203269     -1.175337
  H      -6.236798      0.773460     -1.902851
  H      -6.497145     -0.973090     -1.540170
  H      -8.457781     -1.261833      0.516607
  H      -9.021873     -2.606007      2.540340
  H      -2.189910     -1.487359      4.942712
  H      -4.644018     -0.322686      2.267332
  H     -10.412812      9.380266      0.910700
  H      -9.206936     10.359255      0.063100
  H     -10.188190      9.156843     -0.848132
  H      -8.852470      9.981378      2.545694
  H      -7.332632     10.046127      4.520121
  H      -4.416719      4.171843      2.818521
  H      -6.357616      6.963415      0.741552
  H      -9.986114      3.246967     -1.648499
  H      -8.782365      4.416019     -1.004805
  H     -10.405664      4.375661     -0.320310
  H      -8.723729      5.291978      1.160839
  H      -7.840252      5.941839      3.400460
  H      -6.520483      1.251201      7.296689
  H      -8.370982      1.133683      2.250428
  N      -4.204678      1.913233      2.963193
  H      -4.632126      1.729906      2.015516
88
Coordinates from ORCA-job orca E -6669.291235339213
  N      -2.193506      0.650631      4.729046
  Mo     -3.922394      1.870168      4.665586
  N      -4.440128      1.433193      6.758641
  C      -3.695726      1.653313      7.977178
  C      -2.238981      1.830716      7.546660
  N      -2.114076      2.662400      6.327929
  C      -0.841013      2.412430      5.629798
  C      -0.826353      0.981749      5.084559
  C      -2.363307      4.092697      6.566846
  C      -3.785261      4.473050      6.144227
  N      -4.027452      3.860836      4.839897
  H      -0.169599      0.936967      4.201665
  H      -0.440689      0.259026      5.820591
  H      -0.785891      3.123382      4.793876
  H       0.032263      2.592349      6.280899
  H      -4.532727      4.108498      6.861433
  H      -3.893226      5.563187      6.067734
  H      -2.200687      4.355027      7.623725
  H      -1.657271      4.679893      5.965342
  H      -3.772169      0.803770      8.674048
  H      -4.075266      2.546315      8.501421
  H      -1.828087      0.840028      7.321304
  H      -1.638174      2.260547      8.365851
  C      -6.684689      0.066784     -1.200019
  C      -6.110638      0.264535      0.168533
  O      -5.304074      1.175977      0.403193
  C      -6.507235     -0.661514      1.266778
  C      -7.733645     -1.346096      1.328141
  C      -8.059173     -2.096795      2.456507
  C      -7.155407     -2.183972      3.514607
  F      -7.505782     -2.887575      4.600026
  C      -5.911701     -1.533915      3.476733
  C      -4.860742     -1.627543      4.528514
  O      -4.662684     -2.606549      5.234235
  N      -4.049821     -0.477303      4.578358
  C      -2.744780     -0.550901      4.774860
  C      -5.618797     -0.791426      2.333519
  C      -9.663423      9.349943      0.086363
  C      -8.634215      8.278418      0.342715
  O      -8.555320      7.281586     -0.372759
  C      -7.708917      8.438135      1.509221
  C      -7.977230      9.319674      2.570203
  C      -7.143581      9.362789      3.684783
  C      -6.040463      8.516559      3.735137
  F      -5.243777      8.575099      4.821575
  C      -5.719716      7.647626      2.681683
  C      -4.575108      6.685687      2.691430
  O      -3.857318      6.516266      1.715210
  N      -4.438390      5.971588      3.893348
  C      -4.307428      4.696209      3.779968
  C      -6.564169      7.635825      1.567875
  C      -9.628209      3.745164     -0.738214
  C      -9.192864      2.704454      0.258845
  O      -9.312949      1.502365      0.027414
  C      -8.607644      3.159375      1.560283
  C      -8.447029      4.518275      1.878277
  C      -7.928826      4.896435      3.114310
  C      -7.529124      3.907987      4.001607
  F      -7.063391      4.287558      5.218001
  C      -7.644332      2.541207      3.710072
  C      -7.287263      1.515452      4.734573
  O      -8.094245      0.710690      5.174941
  N      -5.981482      1.597445      5.241211
  C      -5.724891      1.377779      6.552821
  C      -8.226523      2.186935      2.493718
  H      -7.774690      0.218213     -1.171170
  H      -6.238033      0.779910     -1.900672
  H      -6.507461     -0.965245     -1.538589
  H      -8.459262     -1.256867      0.519568
  H      -9.019380     -2.605795      2.540622
  H      -2.185363     -1.484652      4.933466
  H      -4.641557     -0.322710      2.265015
  H     -10.407905      9.363680      0.898175
  H      -9.200582     10.347170      0.057467
  H     -10.174333      9.143302     -0.859809
  H      -8.852400      9.969037      2.540342
  H      -7.335818     10.039370      4.517602
  H      -4.409285      4.175976      2.817873
  H      -6.341741      6.962059      0.739426
  H     -10.004948      3.251157     -1.639608
  H      -8.797422      4.417910     -0.999686
  H     -10.419328      4.380179     -0.310266
  H      -8.729884      5.294064      1.165353
  H      -7.836562      5.942844      3.401328
  H      -6.521485      1.246380      7.297292
  H      -8.383837      1.135522      2.255671
  N      -4.204327      1.916817      2.963304
  H      -4.628615      1.734790      2.013885
88
Coordinates from ORCA-job orca E -6669.291092657566
  N      -2.194557      0.662222      4.722710
  Mo     -3.931425      1.870073      4.662370
  N      -4.439425      1.426642      6.757970
  C      -3.692907      1.639899      7.976941
  C      -2.236809      1.824574      7.548331
  N      -2.117786      2.667481      6.331039
  C      -0.844792      2.427694      5.622284
  C      -0.826523      1.000716      5.067853
  C      -2.378334      4.097831      6.575895
  C      -3.800206      4.471068      6.145455
  N      -4.035164      3.860565      4.838938
  H      -0.177053      0.966602      4.178919
  H      -0.429334      0.275877      5.795693
  H      -0.799006      3.144565      4.791158
  H       0.029854      2.608477      6.270974
  H      -4.548541      4.102438      6.859822
  H      -3.911746      5.561223      6.070615
  H      -2.224910      4.353214      7.635648
  H      -1.671257      4.691928      5.982835
  H      -3.766609      0.785721      8.668597
  H      -4.074186      2.528394      8.507733
  H      -1.821505      0.837878      7.314746
  H      -1.637117      2.252272      8.369258
  C      -6.744581      0.084332     -1.175176
  C      -6.147159      0.271932      0.184754
  O      -5.334739      1.180186      0.411766
  C      -6.530365     -0.658430      1.284030
  C      -7.756602     -1.341992      1.357840
  C      -8.068036     -2.098801      2.486349
  C      -7.150589     -2.192082      3.532098
  F      -7.486621     -2.901650      4.618417
  C      -5.907953     -1.541316      3.482044
  C      -4.843386     -1.638964      4.519914
  O      -4.628440     -2.625211      5.210457
  N      -4.044309     -0.481117      4.574947
  C      -2.736054     -0.544932      4.760175
  C      -5.628773     -0.793561      2.339054
  C      -9.657829      9.368738      0.095610
  C      -8.632036      8.293748      0.351258
  O      -8.553430      7.299282     -0.367522
  C      -7.707258      8.448950      1.518732
  C      -7.974914      9.327972      2.582000
  C      -7.141762      9.366908      3.697195
  C      -6.039511      8.519504      3.745409
  F      -5.243299      8.573508      4.832555
  C      -5.719331      7.653271      2.689715
  C      -4.574886      6.690857      2.697357
  O      -3.856301      6.523654      1.721338
  N      -4.439801      5.974070      3.897595
  C      -4.310805      4.698756      3.781716
  C      -6.563467      7.645060      1.575681
  C      -9.569596      3.708425     -0.776166
  C      -9.151396      2.675279      0.236193
  O      -9.256411      1.471293      0.007338
  C      -8.583673      3.140338      1.541898
  C      -8.428333      4.501728      1.851616
  C      -7.923920      4.889627      3.090349
  C      -7.532370      3.908054      3.988969
  F      -7.078980      4.298013      5.206637
  C      -7.642591      2.538937      3.706435
  C      -7.290703      1.519743      4.739420
  O      -8.094444      0.706272      5.169640
  N      -5.985324      1.603190      5.246899
  C      -5.724832      1.370417      6.555577
  C      -8.211495      2.175321      2.486430
  H      -7.833392      0.240499     -1.127373
  H      -6.306403      0.799291     -1.879338
  H      -6.577753     -0.946505     -1.522399
  H      -8.492856     -1.248274      0.559449
  H      -9.027433     -2.607645      2.579967
  H      -2.168143     -1.475575      4.906590
  H      -4.652445     -0.324443      2.260536
  H     -10.403945      9.381998      0.905920
  H      -9.192122     10.364732      0.070484
  H     -10.167292      9.166187     -0.852225
  H      -8.849360      9.978380      2.553498
  H      -7.333637     10.041168      4.531982
  H      -4.411230      4.180878      2.818283
  H      -6.341289      6.973210      0.745475
  H      -9.927822      3.207452     -1.681277
  H      -8.735351      4.381144     -1.026516
  H     -10.370284      4.344098     -0.367571
  H      -8.703518      5.271730      1.129630
  H      -7.835082      5.938238      3.370288
  H      -6.519460      1.232154      7.300930
  H      -8.363543      1.121812      2.253908
  N      -4.215781      1.918893      2.960891
  H      -4.637147      1.737428      2.009982
88
Coordinates from ORCA-job orca E -6669.288196294807
  N      -2.194967      0.640517      4.723428
  Mo     -3.943560      1.837959      4.651155
  N      -4.438196      1.420460      6.763791
  C      -3.690737      1.622130      7.985816
  C      -2.231931      1.798668      7.575731
  N      -2.112404      2.658541      6.327690
  C      -0.826925      2.408368      5.594471
  C      -0.824414      0.977522      5.055460
  C      -2.396049      4.111117      6.554362
  C      -3.821721      4.454213      6.118446
  N      -4.056207      3.832838      4.815445
  H      -0.179326      0.936695      4.162557
  H      -0.420971      0.260516      5.788401
  H      -0.799146      3.120320      4.760396
  H       0.043798      2.596775      6.242971
  H      -4.562099      4.084050      6.840675
  H      -3.941327      5.544543      6.035027
  H      -2.242317      4.370480      7.611825
  H      -1.693416      4.695363      5.948720
  H      -3.771726      0.766765      8.676681
  H      -4.065417      2.509865      8.523368
  H      -1.813675      0.816406      7.334709
  H      -1.630237      2.232783      8.389838
  C      -6.653390     -0.057219     -1.248702
  C      -6.054143      0.160848      0.105358
  O      -5.244111      1.078581      0.307030
  C      -6.467291     -0.720100      1.233301
  C      -7.705768     -1.381789      1.303891
  C      -8.051178     -2.099091      2.448250
  C      -7.152258     -2.180146      3.510177
  F      -7.520248     -2.852088      4.610345
  C      -5.895773     -1.557231      3.463997
  C      -4.845554     -1.663332      4.518017
  O      -4.668871     -2.638640      5.234168
  N      -4.045349     -0.507701      4.584071
  C      -2.740712     -0.567148      4.776812
  C      -5.586481     -0.839074      2.309092
  C      -9.712968      9.285779      0.079716
  C      -8.664875      8.230518      0.327242
  O      -8.603006      7.215433     -0.364296
  C      -7.744622      8.397046      1.495893
  C      -8.014869      9.284964      2.551490
  C      -7.179896      9.338239      3.664941
  C      -6.072403      8.497822      3.719152
  F      -5.274444      8.566840      4.804566
  C      -5.750627      7.622343      2.672138
  C      -4.598993      6.667471      2.679634
  O      -3.898251      6.485284      1.694052
  N      -4.455030      5.950109      3.878586
  C      -4.333044      4.673347      3.761932
  C      -6.598170      7.597997      1.560995
  C      -9.526428      3.890471     -0.707871
  C      -9.140826      2.838372      0.298240
  O      -9.259396      1.639204      0.051966
  C      -8.577503      3.279593      1.615350
  C      -8.404122      4.635096      1.937406
  C      -7.899359      5.005660      3.181450
  C      -7.528405      4.010251      4.073307
  F      -7.072747      4.382814      5.294273
  C      -7.658716      2.644984      3.779177
  C      -7.325349      1.616179      4.807714
  O      -8.138397      0.806681      5.229086
  N      -6.005404      1.649029      5.282672
  C      -5.728391      1.383540      6.577181
  C      -8.225696      2.299825      2.553244
  H      -7.737212      0.136039     -1.205519
  H      -6.194194      0.619965     -1.976546
  H      -6.521971     -1.103288     -1.561906
  H      -8.426695     -1.300903      0.490500
  H      -9.021228     -2.587864      2.538990
  H      -2.171487     -1.495512      4.935876
  H      -4.601490     -0.387843      2.233261
  H     -10.440879      9.295521      0.906909
  H      -9.263105     10.288136      0.033405
  H     -10.240100      9.065052     -0.854132
  H      -8.891954      9.931642      2.517828
  H      -7.373847     10.019542      4.493561
  H      -4.440213      4.155224      2.799238
  H      -6.376107      6.916691      0.738773
  H      -9.870996      3.403674     -1.625956
  H      -8.680080      4.557964     -0.930722
  H     -10.328514      4.529438     -0.307479
  H      -8.662145      5.414816      1.219729
  H      -7.792826      6.050293      3.469636
  H      -6.515587      1.248468      7.331323
  H      -8.390362      1.250565      2.310476
  N      -4.240981      1.876062      2.952618
  H      -4.672922      1.692172      2.007573
88
Coordinates from ORCA-job orca E -6669.289620381037
  N      -2.177814      0.662154      4.745021
  Mo     -3.932453      1.845611      4.652847
  N      -4.447191      1.425022      6.756285
  C      -3.714673      1.652646      7.981861
  C      -2.254410      1.844299      7.578451
  N      -2.132407      2.686681      6.336936
  C      -0.842718      2.447949      5.628684
  C      -0.815826      1.014646      5.095220
  C      -2.422153      4.128479      6.558198
  C      -3.845935      4.464984      6.112742
  N      -4.065388      3.838823      4.810292
  H      -0.158560      0.975030      4.211644
  H      -0.416806      0.304551      5.836976
  H      -0.808510      3.156555      4.791053
  H       0.020145      2.647041      6.285473
  H      -4.590687      4.091738      6.828560
  H      -3.972869      5.553339      6.025149
  H      -2.278060      4.394228      7.615876
  H      -1.718382      4.717262      5.957234
  H      -3.788697      0.803397      8.680566
  H      -4.107945      2.540712      8.505005
  H      -1.822824      0.863741      7.351672
  H      -1.665519      2.292204      8.394887
  C      -6.603073      0.115216     -1.185496
  C      -6.051664      0.297658      0.194130
  O      -5.290042      1.239504      0.461406
  C      -6.431881     -0.665206      1.265182
  C      -7.634983     -1.392438      1.287701
  C      -7.952897     -2.184365      2.390510
  C      -7.062774     -2.269474      3.460259
  F      -7.401874     -3.019668      4.518621
  C      -5.841627     -1.577830      3.460085
  C      -4.802950     -1.666620      4.525093
  O      -4.595236     -2.651003      5.220152
  N      -4.014538     -0.502441      4.591096
  C      -2.710460     -0.549022      4.796195
  C      -5.556751     -0.793360      2.343334
  C      -9.502928      9.624872      0.047564
  C      -8.531306      8.498610      0.293884
  O      -8.502483      7.507125     -0.432804
  C      -7.615610      8.588064      1.474681
  C      -7.847256      9.467943      2.546005
  C      -7.023053      9.451628      3.668282
  C      -5.964773      8.549725      3.715322
  F      -5.175129      8.552729      4.808707
  C      -5.681608      7.678175      2.653831
  C      -4.582416      6.664091      2.653583
  O      -3.871954      6.473994      1.676250
  N      -4.457994      5.948789      3.856454
  C      -4.337489      4.671413      3.747121
  C      -6.516682      7.724207      1.533735
  C      -9.883798      3.579017     -0.647347
  C      -9.397645      2.555146      0.343857
  O      -9.522985      1.349377      0.136321
  C      -8.763840      3.032077      1.615361
  C      -8.603280      4.395880      1.907939
  C      -8.038530      4.796239      3.116593
  C      -7.597726      3.823333      4.001707
  F      -7.083529      4.224319      5.190227
  C      -7.713529      2.451435      3.734717
  C      -7.317022      1.443163      4.761789
  O      -8.105366      0.641488      5.240808
  N      -6.003947      1.555199      5.244864
  C      -5.733396      1.354563      6.554184
  C      -8.336843      2.075790      2.545645
  H      -7.696628      0.243721     -1.164407
  H      -6.165384      0.853785     -1.865249
  H      -6.401885     -0.904481     -1.545925
  H      -8.350784     -1.307777      0.470073
  H      -8.895578     -2.728951      2.443876
  H      -2.133528     -1.470732      4.964284
  H      -4.596354     -0.287717      2.302945
  H     -10.250662      9.661550      0.855873
  H      -8.990069     10.597659      0.038167
  H     -10.017608      9.460300     -0.904708
  H      -8.686039     10.163743      2.517264
  H      -7.187361     10.125952      4.508907
  H      -4.429177      4.148669      2.785418
  H      -6.323724      7.049078      0.699040
  H     -10.288438      3.067764     -1.526839
  H      -9.072587      4.259103     -0.947903
  H     -10.666134      4.209496     -0.197146
  H      -8.921498      5.158502      1.195932
  H      -7.941702      5.847093      3.384342
  H      -6.524352      1.206337      7.301795
  H      -8.494421      1.019448      2.329034
  N      -4.208219      1.876229      2.950161
  H      -4.626248      1.684312      2.000328
88
Coordinates from ORCA-job orca E -6669.287266015377
  N      -2.211548      0.685125      4.724768
  Mo     -3.931299      1.909286      4.676428
  N      -4.433702      1.450369      6.760194
  C      -3.680883      1.655123      7.973304
  C      -2.228757      1.844481      7.524036
  N      -2.113717      2.675280      6.336824
  C      -0.860507      2.439310      5.640110
  C      -0.842996      1.015633      5.072527
  C      -2.349927      4.083243      6.598526
  C      -3.770463      4.484320      6.184953
  N      -4.016325      3.896107      4.872095
  H      -0.194686      0.983061      4.183685
  H      -0.450985      0.282690      5.794100
  H      -0.808173      3.164292      4.814459
  H       0.019137      2.607931      6.287501
  H      -4.519499      4.112375      6.895887
  H      -3.872658      5.574489      6.128101
  H      -2.189334      4.326117      7.661144
  H      -1.638070      4.679139      6.010579
  H      -3.749161      0.795074      8.657234
  H      -4.059184      2.539113      8.512938
  H      -1.816231      0.857296      7.281799
  H      -1.622935      2.267220      8.343814
  C      -6.845011      0.021969     -1.190433
  C      -6.232963      0.231550      0.159820
  O      -5.398780      1.125516      0.357487
  C      -6.607368     -0.673576      1.282629
  C      -7.834197     -1.351413      1.389411
  C      -8.125903     -2.090366      2.534311
  C      -7.190567     -2.168549      3.565642
  F      -7.506199     -2.866312      4.665631
  C      -5.950598     -1.513805      3.487027
  C      -4.872608     -1.598573      4.512817
  O      -4.649920     -2.584238      5.201156
  N      -4.069562     -0.440964      4.575076
  C      -2.758810     -0.515906      4.757595
  C      -5.689072     -0.790346      2.325103
  C      -9.684610      9.286342      0.116453
  C      -8.640384      8.231776      0.383398
  O      -8.532722      7.240272     -0.335046
  C      -7.716066      8.415440      1.547830
  C      -7.998656      9.297814      2.603981
  C      -7.164822      9.361758      3.717430
  C      -6.046367      8.536312      3.770345
  F      -5.249203      8.615835      4.855123
  C      -5.710517      7.668888      2.719933
  C      -4.548086      6.729718      2.733250
  O      -3.831008      6.564566      1.754819
  N      -4.409163      6.017476      3.935499
  C      -4.286162      4.742885      3.817783
  C      -6.556423      7.634914      1.607763
  C      -9.499035      3.744872     -0.821741
  C      -9.068015      2.700516      0.173523
  O      -9.178030      1.499464     -0.067342
  C      -8.508766      3.148551      1.487791
  C      -8.367041      4.505806      1.824773
  C      -7.875145      4.873649      3.074450
  C      -7.482753      3.878103      3.957581
  F      -7.047946      4.246961      5.189693
  C      -7.577733      2.514097      3.647775
  C      -7.228870      1.478230      4.666563
  O      -8.042076      0.674745      5.096171
  N      -5.942426      1.589536      5.216748
  C      -5.713640      1.392119      6.541603
  C      -8.134110      2.169384      2.416145
  H      -7.927621      0.211528     -1.140847
  H      -6.391810      0.704203     -1.917001
  H      -6.709460     -1.023075     -1.509267
  H      -8.582878     -1.271542      0.600958
  H      -9.082906     -2.598815      2.651482
  H      -2.198589     -1.451449      4.899016
  H      -4.711970     -0.329314      2.221050
  H     -10.435298      9.289726      0.922064
  H      -9.238888     10.291600      0.088066
  H     -10.184642      9.068344     -0.833060
  H      -8.885682      9.930606      2.572167
  H      -7.368418     10.038535      4.547335
  H      -4.399957      4.230180      2.852686
  H      -6.324471      6.958136      0.783491
  H      -9.855208      3.255753     -1.734027
  H      -8.671751      4.428443     -1.064511
  H     -10.305161      4.365986     -0.401115
  H      -8.647761      5.287486      1.117506
  H      -7.799548      5.917650      3.376095
  H      -6.520538      1.251414      7.272948
  H      -8.276397      1.119352      2.162372
  N      -4.216990      1.979657      2.976094
  H      -4.641752      1.817021      2.019368
88
Coordinates from ORCA-job orca E -6669.291235146692
  N      -2.191826      0.666962      4.727761
  Mo     -3.930175      1.872613      4.662200
  N      -4.436151      1.431016      6.760142
  C      -3.691831      1.642644      7.979440
  C      -2.234881      1.828845      7.555300
  N      -2.114579      2.671393      6.336228
  C      -0.840645      2.430576      5.628134
  C      -0.824981      1.003563      5.075391
  C      -2.376608      4.102265      6.578740
  C      -3.798970      4.471170      6.149612
  N      -4.035421      3.863555      4.841960
  H      -0.173114      0.967365      4.188261
  H      -0.430290      0.279837      5.805755
  H      -0.798537      3.148617      4.797783
  H       0.031635      2.611596      6.279507
  H      -4.545207      4.098350      6.863630
  H      -3.913189      5.561126      6.077072
  H      -2.221898      4.356551      7.638455
  H      -1.668932      4.692544      5.982475
  H      -3.765383      0.786987      8.669492
  H      -4.074108      2.529061      8.513071
  H      -1.815365      0.844605      7.318712
  H      -1.635995      2.261355      8.373789
  C      -6.697545      0.013030     -1.220061
  C      -6.117501      0.226777      0.143546
  O      -5.304540      1.137339      0.359797
  C      -6.507826     -0.685462      1.255005
  C      -7.732201     -1.372725      1.327286
  C      -8.049070     -2.118725      2.461161
  C      -7.138134     -2.198784      3.513535
  F      -7.478127     -2.902332      4.602551
  C      -5.897946     -1.542511      3.467179
  C      -4.840691     -1.633294      4.513610
  O      -4.633159     -2.616613      5.210376
  N      -4.041711     -0.475239      4.576853
  C      -2.735286     -0.538905      4.767996
  C      -5.613769     -0.804740      2.318833
  C      -9.620356      9.424229      0.074486
  C      -8.606966      8.337950      0.332417
  O      -8.529879      7.348366     -0.392995
  C      -7.690433      8.477612      1.508288
  C      -7.953806      9.358869      2.570837
  C      -7.126118      9.387980      3.690170
  C      -6.032516      8.529714      3.743166
  F      -5.239327      8.578205      4.832744
  C      -5.716592      7.660145      2.688766
  C      -4.578301      6.691052      2.696419
  O      -3.863693      6.518220      1.718353
  N      -4.439168      5.978525      3.899476
  C      -4.310972      4.703121      3.784838
  C      -6.556930      7.659830      1.571474
  C      -9.655132      3.705542     -0.728237
  C      -9.222384      2.672408      0.277829
  O      -9.351874      1.469126      0.059329
  C      -8.628447      3.136632      1.572292
  C      -8.464790      4.497604      1.878726
  C      -7.942729      4.885350      3.110186
  C      -7.543499      3.903414      4.005016
  F      -7.078473      4.292560      5.218263
  C      -7.659401      2.534229      3.724206
  C      -7.300067      1.516299      4.755995
  O      -8.101640      0.705858      5.196118
  N      -5.989703      1.596852      5.251494
  C      -5.721882      1.370257      6.559664
  C      -8.243936      2.171128      2.511563
  H      -7.783889      0.189017     -1.190208
  H      -6.239103      0.704280     -1.934839
  H      -6.544228     -1.028292     -1.540719
  H      -8.462266     -1.292177      0.521813
  H      -9.006593     -2.631504      2.552547
  H      -2.167831     -1.468863      4.920654
  H      -4.637795     -0.334879      2.241202
  H     -10.373048      9.438593      0.878745
  H      -9.145914     10.416289      0.059904
  H     -10.123561      9.232462     -0.878880
  H      -8.819991     10.020022      2.537814
  H      -7.314718     10.064383      4.523977
  H      -4.415689      4.185200      2.821606
  H      -6.340243      6.983622      0.743113
  H     -10.033802      3.203821     -1.624539
  H      -8.822602      4.373557     -0.995978
  H     -10.444320      4.346515     -0.305674
  H      -8.750662      5.267666      1.160938
  H      -7.848477      5.933959      3.388843
  H      -6.513682      1.228875      7.307505
  H      -8.400773      1.117732      2.281358
  N      -4.217140      1.923959      2.961626
  H      -4.641629      1.747789      2.011172
88
Coordinates from ORCA-job orca E -6669.290532490448
  N      -2.207573      0.640877      4.730581
  Mo     -3.938813      1.857869      4.656042
  N      -4.445691      1.437329      6.758716
  C      -3.702293      1.653947      7.978409
  C      -2.242620      1.824147      7.558086
  N      -2.113141      2.658413      6.327676
  C      -0.838713      2.399400      5.617463
  C      -0.837362      0.968500      5.075042
  C      -2.365928      4.097413      6.556615
  C      -3.784599      4.471599      6.120941
  N      -4.024470      3.852425      4.819174
  H      -0.186231      0.920949      4.187655
  H      -0.448120      0.246369      5.810089
  H      -0.791317      3.110671      4.781970
  H       0.035118      2.577833      6.267029
  H      -4.535097      4.111599      6.837424
  H      -3.891130      5.561956      6.037039
  H      -2.210400      4.360469      7.613786
  H      -1.652956      4.676310      5.955959
  H      -3.784470      0.805250      8.676235
  H      -4.078337      2.548732      8.502558
  H      -1.831038      0.834557      7.330954
  H      -1.643032      2.258182      8.375133
  C      -6.692419      0.111422     -1.160634
  C      -6.156101      0.316849      0.222844
  O      -5.408029      1.268450      0.490075
  C      -6.531807     -0.641806      1.299258
  C      -7.738519     -1.362082      1.338196
  C      -8.053361     -2.138271      2.452111
  C      -7.153552     -2.221712      3.513673
  F      -7.494424     -2.949043      4.586357
  C      -5.923459     -1.545787      3.491986
  C      -4.871638     -1.641081      4.541815
  O      -4.656195     -2.630208      5.228227
  N      -4.064802     -0.488910      4.592074
  C      -2.758920     -0.561136      4.777230
  C      -5.645437     -0.769678      2.367832
  C      -9.718093      9.271911      0.104593
  C      -8.668748      8.217417      0.350569
  O      -8.584100      7.219285     -0.362156
  C      -7.733954      8.393231      1.507095
  C      -8.000300      9.277138      2.566596
  C      -7.155072      9.334665      3.671654
  C      -6.043018      8.499761      3.714797
  F      -5.237008      8.570800      4.793665
  C      -5.724292      7.628710      2.662291
  C      -4.572663      6.675215      2.665679
  O      -3.873242      6.494606      1.677960
  N      -4.425699      5.961934      3.867171
  C      -4.299848      4.685001      3.756321
  C      -6.579949      7.604018      1.557216
  C      -9.555107      3.815670     -0.751251
  C      -9.166222      2.766693      0.256459
  O      -9.330576      1.568580      0.032382
  C      -8.568855      3.208514      1.557051
  C      -8.365578      4.563313      1.868864
  C      -7.838408      4.931251      3.104156
  C      -7.473445      3.934738      3.997509
  F      -6.999331      4.304540      5.213374
  C      -7.629049      2.570821      3.711227
  C      -7.291628      1.538645      4.735333
  O      -8.116949      0.761401      5.191472
  N      -5.986844      1.607403      5.244771
  C      -5.731167      1.387541      6.555755
  C      -8.219192      2.228529      2.495439
  H      -7.789035      0.211206     -1.151707
  H      -6.266058      0.854934     -1.842078
  H      -6.461990     -0.906121     -1.510040
  H      -8.461709     -1.275668      0.527225
  H      -9.002042     -2.670468      2.522252
  H      -2.197638     -1.494452      4.932274
  H      -4.681029     -0.272242      2.314695
  H     -10.452254      9.275746      0.925988
  H      -9.271963     10.276397      0.067338
  H     -10.237602      9.054620     -0.834464
  H      -8.882721      9.916929      2.543276
  H      -7.346139     10.012824      4.503480
  H      -4.408565      4.161330      2.796823
  H      -6.359062      6.930425      0.728900
  H      -9.943540      3.328930     -1.651614
  H      -8.697473      4.454561     -1.011172
  H     -10.324980      4.483296     -0.334196
  H      -8.623114      5.344362      1.152032
  H      -7.712660      5.975672      3.386052
  H      -6.527595      1.261412      7.301499
  H      -8.403889      1.180837      2.260043
  N      -4.229261      1.891101      2.954958
  H      -4.655396      1.704745      2.010262
88
Coordinates from ORCA-job orca E -6669.291352170934
  N      -2.193757      0.659528      4.727118
  Mo     -3.931937      1.866715      4.654991
  N      -4.439469      1.435181      6.755501
  C      -3.698714      1.648851      7.977167
  C      -2.239416      1.828797      7.559614
  N      -2.113587      2.668684      6.333386
  C      -0.837025      2.420868      5.624520
  C      -0.826379      0.992475      5.076229
  C      -2.375127      4.104517      6.567846
  C      -3.796073      4.471613      6.134573
  N      -4.031840      3.858962      4.828896
  H      -0.172380      0.951538      4.190672
  H      -0.435316      0.270016      5.809981
  H      -0.793711      3.136038      4.792160
  H       0.034430      2.601865      6.276509
  H      -4.543486      4.102502      6.849519
  H      -3.908921      5.561729      6.056916
  H      -2.221164      4.363601      7.626322
  H      -1.665988      4.689562      5.968678
  H      -3.777249      0.796212      8.670694
  H      -4.079721      2.538458      8.506484
  H      -1.821358      0.843021      7.328120
  H      -1.642029      2.263830      8.377658
  C      -6.701966      0.043396     -1.197732
  C      -6.118193      0.245592      0.166188
  O      -5.316819      1.164060      0.392966
  C      -6.510021     -0.673552      1.271023
  C      -7.734885     -1.360452      1.337378
  C      -8.055315     -2.110961      2.467638
  C      -7.147089     -2.195566      3.522063
  F      -7.490828     -2.901564      4.608484
  C      -5.905807     -1.541263      3.479925
  C      -4.850240     -1.634995      4.526629
  O      -4.646282     -2.616507      5.227177
  N      -4.046382     -0.480237      4.580824
  C      -2.740483     -0.545418      4.772253
  C      -5.618730     -0.798172      2.335977
  C      -9.653378      9.368515      0.093125
  C      -8.620272      8.299013      0.342559
  O      -8.546366      7.300658     -0.371075
  C      -7.694791      8.455360      1.509213
  C      -7.957234      9.339296      2.569857
  C      -7.121499      9.379466      3.682939
  C      -6.022016      8.528338      3.732505
  F      -5.224531      8.583392      4.818601
  C      -5.707286      7.656709      2.679553
  C      -4.568219      6.688592      2.685656
  O      -3.863587      6.505808      1.702394
  N      -4.428643      5.973878      3.887392
  C      -4.305706      4.697807      3.771372
  C      -6.553832      7.648197      1.567154
  C      -9.619557      3.743986     -0.742404
  C      -9.193418      2.702301      0.257922
  O      -9.305875      1.500551      0.021617
  C      -8.614760      3.155797      1.563201
  C      -8.463925      4.514186      1.886660
  C      -7.950006      4.891261      3.124875
  C      -7.545648      3.901832      4.009044
  F      -7.080944      4.279838      5.225628
  C      -7.652054      2.535263      3.712650
  C      -7.287838      1.508476      4.733794
  O      -8.090871      0.702059      5.178773
  N      -5.982388      1.598693      5.240234
  C      -5.724455      1.376976      6.550640
  C      -8.229409      2.182085      2.493825
  H      -7.790072      0.209226     -1.161750
  H      -6.252067      0.747020     -1.905879
  H      -6.541537     -0.992621     -1.531435
  H      -8.463168     -1.275179      0.530806
  H      -9.013686     -2.622812      2.554976
  H      -2.174445     -1.475403      4.930661
  H      -4.643160     -0.326635      2.263359
  H     -10.392606      9.378708      0.909926
  H      -9.193385     10.366973      0.062732
  H     -10.169669      9.161941     -0.850087
  H      -8.829539      9.992593      2.541083
  H      -7.309887     10.057068      4.515829
  H      -4.410185      4.179597      2.808545
  H      -6.337776      6.971043      0.739875
  H      -9.982149      3.249561     -1.649342
  H      -8.787984      4.420622     -0.991095
  H     -10.419001      4.374979     -0.324067
  H      -8.751277      5.290703      1.176304
  H      -7.863438      5.936989      3.415548
  H      -6.520545      1.236503      7.294152
  H      -8.377797      1.130344      2.250861
  N      -4.220113      1.911693      2.954533
  H      -4.645674      1.733347      2.005859
88
Coordinates from ORCA-job orca E -6669.290805892972
  N      -2.189166      0.664320      4.734389
  Mo     -3.930625      1.863830      4.662779
  N      -4.440955      1.424738      6.759018
  C      -3.697518      1.639089      7.978591
  C      -2.240987      1.829986      7.554792
  N      -2.122673      2.671157      6.338704
  C      -0.847816      2.435482      5.635585
  C      -0.824184      1.007958      5.083105
  C      -2.389124      4.098850      6.581853
  C      -3.810838      4.465347      6.148152
  N      -4.041050      3.855341      4.841085
  H      -0.171726      0.974722      4.196373
  H      -0.426889      0.285840      5.813532
  H      -0.804228      3.153556      4.805225
  H       0.022342      2.619420      6.289179
  H      -4.558922      4.092696      6.860398
  H      -3.927014      5.554795      6.074321
  H      -2.239853      4.352540      7.642588
  H      -1.680413      4.692905      5.990391
  H      -3.769847      0.783832      8.669154
  H      -4.082580      2.525360      8.510341
  H      -1.817546      0.846949      7.319321
  H      -1.645419      2.264531      8.374721
  C      -6.733836      0.066449     -1.184619
  C      -6.135402      0.254321      0.174668
  O      -5.308399      1.151154      0.393745
  C      -6.513235     -0.677472      1.274932
  C      -7.734837     -1.369387      1.348900
  C      -8.038083     -2.134163      2.474173
  C      -7.118405     -2.224845      3.518193
  F      -7.445153     -2.946426      4.599675
  C      -5.882530     -1.560722      3.471111
  C      -4.818775     -1.651343      4.511076
  O      -4.600947     -2.637111      5.201345
  N      -4.030905     -0.485878      4.580558
  C      -2.724500     -0.543193      4.773243
  C      -5.609783     -0.808624      2.329274
  C      -9.628442      9.466912      0.095299
  C      -8.620754      8.372358      0.340068
  O      -8.546518      7.393102     -0.399743
  C      -7.701714      8.494428      1.515966
  C      -7.959429      9.366074      2.587687
  C      -7.130969      9.378745      3.706827
  C      -6.042778      8.513143      3.750098
  F      -5.248527      8.544903      4.839527
  C      -5.732549      7.652618      2.686711
  C      -4.602173      6.673863      2.686929
  O      -3.870476      6.522871      1.717926
  N      -4.459331      5.965831      3.891480
  C      -4.320206      4.691062      3.780090
  C      -6.573009      7.668986      1.569831
  C      -9.650232      3.656898     -0.755630
  C      -9.230355      2.637541      0.269626
  O      -9.406771      1.433803      0.088741
  C      -8.613494      3.117404      1.547359
  C      -8.405311      4.480109      1.817197
  C      -7.861002      4.882452      3.034326
  C      -7.485106      3.912028      3.951623
  F      -6.996048      4.318252      5.150149
  C      -7.646802      2.540466      3.707663
  C      -7.311015      1.535701      4.760415
  O      -8.126394      0.741250      5.203981
  N      -5.997502      1.592929      5.251319
  C      -5.727375      1.368585      6.559837
  C      -8.251810      2.165315      2.508593
  H      -7.817346      0.255378     -1.139665
  H      -6.275621      0.762410     -1.895020
  H      -6.596344     -0.972092     -1.521405
  H      -8.472200     -1.280291      0.550917
  H      -8.992503     -2.652583      2.566120
  H      -2.152975     -1.470952      4.923464
  H      -4.637292     -0.331996      2.251436
  H     -10.381476      9.475602      0.899220
  H      -9.148707     10.456549      0.092920
  H     -10.132146      9.289473     -0.860611
  H      -8.821793     10.032500      2.562002
  H      -7.314676     10.047827      4.547591
  H      -4.417923      4.171271      2.817235
  H      -6.359887      7.000875      0.733867
  H     -10.058264      3.144067     -1.632598
  H      -8.803883      4.293613     -1.054052
  H     -10.413962      4.330638     -0.337160
  H      -8.671869      5.240109      1.081444
  H      -7.731160      5.934430      3.284577
  H      -6.518074      1.236584      7.310506
  H      -8.444387      1.111978      2.307428
  N      -4.213109      1.912567      2.960953
  H      -4.637418      1.731922      2.010505
88
Coordinates from ORCA-job orca E -6669.291388894791
  N      -2.194769      0.659240      4.728733
  Mo     -3.928792      1.872466      4.658274
  N      -4.439118      1.437323      6.757460
  C      -3.697032      1.647504      7.978643
  C      -2.237361      1.824181      7.559686
  N      -2.108830      2.664099      6.338574
  C      -0.834317      2.414489      5.632322
  C      -0.826801      0.987362      5.080505
  C      -2.363342      4.097978      6.577114
  C      -3.782404      4.473466      6.143900
  N      -4.019790      3.864573      4.836839
  H      -0.171848      0.946206      4.195785
  H      -0.439351      0.261781      5.813015
  H      -0.787031      3.131531      4.801536
  H       0.037798      2.590878      6.284986
  H      -4.532349      4.105638      6.856780
  H      -3.891153      5.563921      6.068738
  H      -2.208956      4.354410      7.636284
  H      -1.651154      4.682261      5.980489
  H      -3.777724      0.794137      8.670820
  H      -4.075368      2.537666      8.508856
  H      -1.822637      0.837133      7.326555
  H      -1.638942      2.254997      8.379344
  C      -6.700275      0.067818     -1.200449
  C      -6.126600      0.271843      0.167348
  O      -5.323883      1.188214      0.397770
  C      -6.517022     -0.653598      1.267755
  C      -7.740439     -1.343487      1.330403
  C      -8.060527     -2.098173      2.457687
  C      -7.153049     -2.185153      3.512618
  F      -7.496251     -2.896173      4.595738
  C      -5.912273     -1.529625      3.473620
  C      -4.856961     -1.626936      4.520729
  O      -4.654043     -2.610563      5.218630
  N      -4.050278     -0.474158      4.578297
  C      -2.744688     -0.544079      4.770350
  C      -5.625553     -0.781909      2.332335
  C      -9.658052      9.344987      0.094746
  C      -8.624492      8.277407      0.350230
  O      -8.542836      7.280444     -0.364614
  C      -7.697959      8.441572      1.515122
  C      -7.964030      9.326750      2.573800
  C      -7.127913      9.373652      3.686274
  C      -6.024337      8.527949      3.737296
  F      -5.225697      8.590520      4.822030
  C      -5.705489      7.655791      2.685962
  C      -4.561561      6.693489      2.693955
  O      -3.854506      6.514025      1.711763
  N      -4.420297      5.980151      3.896345
  C      -4.294116      4.704418      3.779820
  C      -6.552890      7.640047      1.574192
  C      -9.634848      3.714177     -0.746925
  C      -9.210915      2.681280      0.263188
  O      -9.341859      1.477820      0.045437
  C      -8.617947      3.145901      1.557869
  C      -8.449634      4.506867      1.861674
  C      -7.925867      4.894863      3.092296
  C      -7.528622      3.913377      3.988396
  F      -7.057278      4.303142      5.198865
  C      -7.651012      2.544131      3.710947
  C      -7.295593      1.527120      4.744919
  O      -8.101500      0.722383      5.187834
  N      -5.986776      1.605530      5.244447
  C      -5.724579      1.383131      6.554567
  C      -8.237847      2.180797      2.499571
  H      -7.788980      0.230070     -1.171668
  H      -6.247823      0.772900     -1.905512
  H      -6.533923     -0.967806     -1.532706
  H      -8.468235     -1.255872      0.523633
  H      -9.018192     -2.611792      2.542539
  H      -2.181682     -1.476306      4.925787
  H      -4.650040     -0.310074      2.261658
  H     -10.400180      9.356287      0.908812
  H      -9.199404     10.344062      0.063624
  H     -10.170670      9.135409     -0.849834
  H      -8.839323      9.975970      2.543868
  H      -7.318829     10.052789      4.517329
  H      -4.398431      4.186995      2.816442
  H      -6.333349      6.962761      0.747821
  H     -10.012892      3.212150     -1.643325
  H      -8.797814      4.377227     -1.013300
  H     -10.422047      4.360757     -0.329185
  H      -8.731799      5.276909      1.142202
  H      -7.827315      5.943494      3.368659
  H      -6.518999      1.246708      7.300549
  H      -8.400194      1.127659      2.272220
  N      -4.216490      1.920501      2.957671
  H      -4.642758      1.743733      2.008081
88
Coordinates from ORCA-job orca E -6669.291203442153
  N      -2.191745      0.656859      4.728611
  Mo     -3.935422      1.854888      4.648432
  N      -4.441908      1.434198      6.750493
  C      -3.704560      1.657104      7.972715
  C      -2.245793      1.840986      7.556272
  N      -2.123060      2.675436      6.324258
  C      -0.843801      2.429562      5.617936
  C      -0.826169      0.998092      5.076792
  C      -2.393040      4.111472      6.551347
  C      -3.815988      4.468124      6.116828
  N      -4.047864      3.848084      4.814306
  H      -0.171744      0.956227      4.191578
  H      -0.431739      0.281005      5.813964
  H      -0.801801      3.140737      4.782207
  H       0.025305      2.617600      6.270977
  H      -4.560982      4.099344      6.834493
  H      -3.933940      5.557347      6.034330
  H      -2.241222      4.375550      7.608901
  H      -1.686870      4.697647      5.949893
  H      -3.780882      0.807551      8.670348
  H      -4.090039      2.547763      8.497013
  H      -1.822279      0.856279      7.330386
  H      -1.651261      2.283916      8.372097
  C      -6.725804     -0.009066     -1.184443
  C      -6.130742      0.200513      0.173534
  O      -5.338133      1.128404      0.392917
  C      -6.510257     -0.716670      1.283882
  C      -7.731274     -1.409403      1.358344
  C      -8.045163     -2.152231      2.495342
  C      -7.133406     -2.224746      3.547358
  F      -7.472619     -2.920064      4.641881
  C      -5.894223     -1.567410      3.496009
  C      -4.834704     -1.651277      4.540112
  O      -4.621704     -2.630029      5.241664
  N      -4.037999     -0.491284      4.589084
  C      -2.732477     -0.549246      4.782797
  C      -5.614186     -0.830681      2.346190
  C      -9.659714      9.433543      0.105979
  C      -8.635507      8.352242      0.340944
  O      -8.566452      7.365684     -0.389639
  C      -7.710649      8.483826      1.511115
  C      -7.969197      9.352100      2.585507
  C      -7.135247      9.368371      3.700671
  C      -6.041965      8.508694      3.738371
  F      -5.246279      8.539837      4.826839
  C      -5.731346      7.651930      2.672267
  C      -4.600149      6.673899      2.666225
  O      -3.885009      6.509687      1.687351
  N      -4.455506      5.958797      3.866910
  C      -4.326264      4.682853      3.753161
  C      -6.575145      7.668133      1.558124
  C      -9.574127      3.790359     -0.751670
  C      -9.151064      2.737391      0.238191
  O      -9.266019      1.538319     -0.010606
  C      -8.583071      3.176324      1.553157
  C      -8.427904      4.531320      1.889043
  C      -7.918542      4.895436      3.132997
  C      -7.523225      3.896510      4.010487
  F      -7.062794      4.262149      5.232574
  C      -7.635842      2.533013      3.702474
  C      -7.278013      1.495610      4.714457
  O      -8.088356      0.697394      5.160701
  N      -5.976091      1.585184      5.230177
  C      -5.725987      1.370572      6.542476
  C      -8.209441      2.192736      2.478138
  H      -7.814285      0.153929     -1.139469
  H      -6.284265      0.692827     -1.899589
  H      -6.566174     -1.045962     -1.515510
  H      -8.463385     -1.331981      0.554469
  H      -9.001789     -2.665987      2.590183
  H      -2.162839     -1.475764      4.948651
  H      -4.641368     -0.354321      2.267095
  H     -10.400602      9.436326      0.921322
  H      -9.191645     10.428627      0.092461
  H     -10.175549      9.246281     -0.841490
  H      -8.837088     10.011559      2.565846
  H      -7.320238     10.033747      4.544108
  H      -4.428360      4.162076      2.791494
  H      -6.360438      7.005036      0.719563
  H      -9.929550      3.306109     -1.666925
  H      -8.743402      4.472884     -0.986680
  H     -10.378712      4.412928     -0.330442
  H      -8.706206      5.315328      1.183490
  H      -7.827923      5.938349      3.432674
  H      -6.524920      1.232634      7.283448
  H      -8.361602      1.143889      2.225650
  N      -4.222411      1.892134      2.947523
  H      -4.649782      1.708373      2.000298
88
Coordinates from ORCA-job orca E -6669.291410631879
  N      -2.193701      0.656966      4.725253
  Mo     -3.931254      1.865204      4.652321
  N      -4.438589      1.435912      6.753637
  C      -3.696736      1.650589      7.974184
  C      -2.237781      1.829416      7.554205
  N      -2.112147      2.666339      6.329985
  C      -0.837075      2.417781      5.623721
  C      -0.826471      0.988997      5.076062
  C      -2.370834      4.100395      6.564325
  C      -3.791704      4.470050      6.132391
  N      -4.028657      3.857631      4.826895
  H      -0.171389      0.946701      4.191486
  H      -0.437387      0.266441      5.810686
  H      -0.791899      3.132479      4.790854
  H       0.034683      2.598184      6.275724
  H      -4.539283      4.101635      6.847439
  H      -3.903701      5.560035      6.055085
  H      -2.215744      4.360265      7.622569
  H      -1.661391      4.684898      5.964719
  H      -3.775475      0.798766      8.668535
  H      -4.076651      2.541199      8.502512
  H      -1.820489      0.842885      7.323631
  H      -1.639794      2.264412      8.371948
  C      -6.707189      0.038886     -1.193537
  C      -6.130339      0.247196      0.172313
  O      -5.330476      1.166846      0.399742
  C      -6.517049     -0.675969      1.275542
  C      -7.740088     -1.366077      1.342568
  C      -8.058470     -2.115902      2.473624
  C      -7.149628     -2.197634      3.527719
  F      -7.492361     -2.901394      4.615668
  C      -5.908792     -1.542634      3.483846
  C      -4.852097     -1.634752      4.529948
  O      -4.647260     -2.615113      5.231778
  N      -4.046914     -0.480641      4.581130
  C      -2.741309     -0.546999      4.773764
  C      -5.623912     -0.799692      2.339128
  C      -9.661431      9.367016      0.093631
  C      -8.628171      8.297319      0.341319
  O      -8.548764      7.304118     -0.379069
  C      -7.705000      8.450307      1.510357
  C      -7.973747      9.325851      2.576351
  C      -7.141133      9.361628      3.691912
  C      -6.038643      8.514253      3.738746
  F      -5.243894      8.565328      4.826969
  C      -5.717306      7.651441      2.680556
  C      -4.575226      6.686734      2.683865
  O      -3.862610      6.516718      1.703988
  N      -4.432711      5.971754      3.885265
  C      -4.305605      4.696038      3.769020
  C      -6.560748      7.647359      1.565787
  C      -9.598581      3.754813     -0.748750
  C      -9.176820      2.712842      0.253015
  O      -9.298117      1.511202      0.020164
  C      -8.599981      3.166092      1.559015
  C      -8.440590      4.524556      1.878589
  C      -7.928389      4.901984      3.117402
  C      -7.533736      3.912721      4.006063
  F      -7.072723      4.291298      5.224102
  C      -7.648393      2.545997      3.713403
  C      -7.292996      1.520588      4.738699
  O      -8.099720      0.715380      5.179128
  N      -5.985163      1.599321      5.240900
  C      -5.723946      1.377773      6.551074
  C      -8.224359      2.192644      2.493912
  H      -7.796192      0.199327     -1.162151
  H      -6.257934      0.743036     -1.901558
  H      -6.540377     -0.997238     -1.523938
  H      -8.469238     -1.281977      0.536653
  H      -9.016141     -2.628846      2.562316
  H      -2.176455     -1.477220      4.934663
  H      -4.649006     -0.326963      2.265232
  H     -10.403555      9.372306      0.907785
  H      -9.202333     10.366090      0.070097
  H     -10.174114      9.164831     -0.852509
  H      -8.848446      9.976013      2.549690
  H      -7.334061     10.033171      4.528654
  H      -4.409678      4.177758      2.806105
  H      -6.338392      6.978457      0.733543
  H      -9.963278      3.260773     -1.655062
  H      -8.764319      4.427821     -0.998264
  H     -10.395435      4.389718     -0.331356
  H      -8.719482      5.300921      1.164731
  H      -7.836227      5.948138      3.405296
  H      -6.518457      1.241047      7.296894
  H      -8.379638      1.141262      2.254019
  N      -4.221077      1.908857      2.952024
  H      -4.649237      1.729856      2.003762
88
Coordinates from ORCA-job orca E -6669.291257354654
  N      -2.201019      0.661086      4.728660
  Mo     -3.933184      1.877573      4.657745
  N      -4.442016      1.445959      6.758706
  C      -3.700974      1.656940      7.980767
  C      -2.240138      1.827590      7.564682
  N      -2.108516      2.667196      6.339665
  C      -0.833457      2.412331      5.631234
  C      -0.831852      0.984947      5.079886
  C      -2.361270      4.103885      6.576157
  C      -3.780003      4.479971      6.143757
  N      -4.019576      3.870624      4.837398
  H      -0.177385      0.941769      4.194794
  H      -0.446173      0.258264      5.812294
  H      -0.784604      3.128924      4.800361
  H       0.038850      2.586191      6.284068
  H      -4.529542      4.114497      6.858340
  H      -3.886529      5.570768      6.067837
  H      -2.205894      4.360558      7.635026
  H      -1.648417      4.685709      5.978187
  H      -3.785281      0.805440      8.674990
  H      -4.077233      2.549461      8.508567
  H      -1.827760      0.839367      7.333001
  H      -1.641109      2.258510      8.383715
  C      -6.684429      0.064796     -1.211514
  C      -6.106243      0.268957      0.154352
  O      -5.293067      1.177522      0.379408
  C      -6.511898     -0.641632      1.261463
  C      -7.746057     -1.311756      1.327543
  C      -8.078274     -2.055132      2.458998
  C      -7.172991     -2.149388      3.515178
  F      -7.528238     -2.847053      4.603106
  C      -5.922900     -1.512269      3.473645
  C      -4.870012     -1.616684      4.522563
  O      -4.673807     -2.601146      5.221150
  N      -4.059067     -0.467180      4.580535
  C      -2.754003     -0.540322      4.773383
  C      -5.623986     -0.775760      2.328241
  C      -9.666753      9.354148      0.128564
  C      -8.631657      8.287082      0.379932
  O      -8.552578      7.289986     -0.335076
  C      -7.698891      8.452913      1.539441
  C      -7.961392      9.336608      2.600232
  C      -7.119637      9.384228      3.708457
  C      -6.014216      8.540590      3.753161
  F      -5.210735      8.603207      4.834381
  C      -5.699034      7.669849      2.699575
  C      -4.554184      6.708294      2.701716
  O      -3.853668      6.526882      1.715255
  N      -4.413400      5.988944      3.900461
  C      -4.292816      4.712733      3.781130
  C      -6.551742      7.653857      1.591998
  C      -9.647714      3.652490     -0.763805
  C      -9.227020      2.629741      0.257973
  O      -9.377485      1.424974      0.061098
  C      -8.618223      3.106216      1.541055
  C      -8.426701      4.469154      1.821343
  C      -7.886786      4.869053      3.041301
  C      -7.498751      3.895983      3.950630
  F      -7.008330      4.297294      5.149716
  C      -7.645456      2.524616      3.696679
  C      -7.295587      1.518451      4.742649
  O      -8.110158      0.735736      5.208493
  N      -5.987599      1.600742      5.243577
  C      -5.727589      1.391788      6.555711
  C      -8.246159      2.150662      2.495482
  H      -7.770519      0.244107     -1.182753
  H      -6.222157      0.758241     -1.921742
  H      -6.534692     -0.975378     -1.537224
  H      -8.471392     -1.219308      0.519064
  H      -9.043542     -2.553921      2.545964
  H      -2.193489     -1.473791      4.930691
  H      -4.641692     -0.318393      2.255696
  H     -10.404639      9.365861      0.946496
  H      -9.208354     10.353234      0.094231
  H     -10.184224      9.143757     -0.813171
  H      -8.838337      9.983810      2.575493
  H      -7.307645     10.062170      4.541152
  H      -4.399310      4.197310      2.817036
  H      -6.334574      6.978147      0.763857
  H     -10.038993      3.141416     -1.649370
  H      -8.805940      4.302336     -1.047014
  H     -10.424371      4.313670     -0.349146
  H      -8.701988      5.231601      1.091270
  H      -7.768436      5.920414      3.299024
  H      -6.522575      1.256535      7.301350
  H      -8.426129      1.096516      2.286538
  N      -4.222852      1.926883      2.957575
  H      -4.652763      1.751564      2.009410
88
Coordinates from ORCA-job orca E -6669.291420987825
  N      -2.193031      0.658789      4.727292
  Mo     -3.930362      1.867540      4.653394
  N      -4.439122      1.436741      6.754306
  C      -3.698648      1.649668      7.976069
  C      -2.238938      1.827578      7.558500
  N      -2.111230      2.666086      6.335330
  C      -0.835690      2.417470      5.629578
  C      -0.825859      0.989508      5.079783
  C      -2.369675      4.100168      6.570824
  C      -3.789635      4.471029      6.136806
  N      -4.025138      3.859961      4.830415
  H      -0.170067      0.948120      4.195678
  H      -0.437928      0.265510      5.813600
  H      -0.789271      3.133351      4.797806
  H       0.035710      2.596201      6.282524
  H      -4.538544      4.102511      6.850404
  H      -3.900800      5.561171      6.060341
  H      -2.216400      4.358748      7.629639
  H      -1.658823      4.685026      5.973251
  H      -3.779233      0.797358      8.669621
  H      -4.078447      2.540265      8.504516
  H      -1.822114      0.841008      7.327242
  H      -1.641814      2.261055      8.377690
  C      -6.704130      0.052016     -1.197862
  C      -6.123973      0.255723      0.167180
  O      -5.322974      1.174232      0.395272
  C      -6.513680     -0.666453      1.270312
  C      -7.739287     -1.352008      1.337379
  C      -8.060355     -2.100729      2.468388
  C      -7.151911     -2.185591      3.522602
  F      -7.497244     -2.887875      4.610665
  C      -5.908610     -1.535390      3.478798
  C      -4.852378     -1.631168      4.525377
  O      -4.650114     -2.612661      5.226343
  N      -4.046444     -0.477791      4.579910
  C      -2.741039     -0.544983      4.774065
  C      -5.620850     -0.793642      2.333884
  C      -9.658952      9.360102      0.095930
  C      -8.627843      8.289444      0.348296
  O      -8.548763      7.294139     -0.369226
  C      -7.701818      8.447507      1.514361
  C      -7.968599      9.327136      2.577481
  C      -7.133749      9.367477      3.691211
  C      -6.030808      8.520779      3.738982
  F      -5.233694      8.576551      4.825237
  C      -5.711242      7.654111      2.683384
  C      -4.568580      6.690070      2.687963
  O      -3.857313      6.517438      1.707638
  N      -4.427154      5.975090      3.889345
  C      -4.300592      4.699394      3.772837
  C      -6.557113      7.645171      1.570452
  C      -9.621464      3.732712     -0.747235
  C      -9.197080      2.694790      0.257576
  O      -9.324289      1.492332      0.032197
  C      -8.609491      3.153000      1.557012
  C      -8.442622      4.512552      1.867922
  C      -7.921818      4.894830      3.101664
  C      -7.526253      3.908999      3.993714
  F      -7.056615      4.292598      5.206879
  C      -7.648043      2.541141      3.709364
  C      -7.292526      1.519651      4.738529
  O      -8.100044      0.717941      5.183860
  N      -5.984714      1.599859      5.240321
  C      -5.724235      1.379138      6.550787
  C      -8.232091      2.183298      2.495068
  H      -7.792485      0.216098     -1.163975
  H      -6.254018      0.756082     -1.905435
  H      -6.541287     -0.984020     -1.530480
  H      -8.468130     -1.265158      0.531490
  H      -9.019902     -2.610152      2.557084
  H      -2.176738     -1.475662      4.934204
  H      -4.644186     -0.324574      2.259935
  H     -10.400936      9.370530      0.910147
  H      -9.197839     10.358139      0.067877
  H     -10.172185      9.154720     -0.849224
  H      -8.843592      9.976866      2.550120
  H      -7.325171     10.042216      4.525725
  H      -4.403937      4.181847      2.809462
  H      -6.336548      6.972478      0.740653
  H      -9.994311      3.235008     -1.648220
  H      -8.786380      4.401036     -1.006289
  H     -10.412950      4.373112     -0.328037
  H      -8.722810      5.286047      1.151429
  H      -7.824050      5.942164      3.383204
  H      -6.519204      1.241823      7.296025
  H      -8.393615      1.131260      2.262329
  N      -4.218758      1.912968      2.952957
  H      -4.646346      1.734895      2.003985
88
Coordinates from ORCA-job orca E -6669.291420112112
  N      -2.195506      0.656910      4.726115
  Mo     -3.932832      1.865824      4.652828
  N      -4.438809      1.437634      6.755029
  C      -3.697201      1.651240      7.976010
  C      -2.237832      1.828239      7.556969
  N      -2.111111      2.665637      6.332685
  C      -0.836427      2.415859      5.625597
  C      -0.827835      0.987397      5.076962
  C      -2.369253      4.100044      6.566928
  C      -3.789670      4.470661      6.134210
  N      -4.026759      3.858492      4.828703
  H      -0.173025      0.945045      4.192176
  H      -0.439406      0.263803      5.810910
  H      -0.790603      3.130981      4.793160
  H       0.035779      2.594749      6.277422
  H      -4.537756      4.103075      6.849147
  H      -3.900577      5.560786      6.056921
  H      -2.214903      4.359605      7.625354
  H      -1.658990      4.684245      5.968041
  H      -3.777589      0.799555      8.670363
  H      -4.076153      2.542444      8.504057
  H      -1.821458      0.841373      7.326237
  H      -1.639758      2.262364      8.375125
  C      -6.698568      0.052604     -1.196435
  C      -6.121400      0.256281      0.169878
  O      -5.315349      1.170369      0.398072
  C      -6.512418     -0.666707      1.271797
  C      -7.738556     -1.351468      1.337200
  C      -8.061238     -2.100680      2.467466
  C      -7.154019     -2.186513      3.522650
  F      -7.501048     -2.888811      4.610189
  C      -5.910490     -1.536675      3.480650
  C      -4.856053     -1.631812      4.529057
  O      -4.652652     -2.614066      5.228586
  N      -4.049395     -0.478938      4.582304
  C      -2.743923     -0.546443      4.775606
  C      -5.620889     -0.794833      2.336317
  C      -9.662594      9.359185      0.096341
  C      -8.629976      8.289374      0.346127
  O      -8.554107      7.292505     -0.369601
  C      -7.704133      8.446113      1.512494
  C      -7.970819      9.325130      2.576142
  C      -7.135914      9.364788      3.689876
  C      -6.032989      8.518046      3.737059
  F      -5.235811      8.572994      4.823331
  C      -5.713617      7.651879      2.681043
  C      -4.570677      6.688083      2.685021
  O      -3.859200      6.516283      1.704710
  N      -4.428668      5.973287      3.886470
  C      -4.303019      4.697419      3.770706
  C      -6.559620      7.643463      1.568220
  C      -9.612664      3.739340     -0.746465
  C      -9.187861      2.700166      0.256894
  O      -9.313009      1.497919      0.029141
  C      -8.605023      3.156879      1.559019
  C      -8.440854      4.516117      1.872783
  C      -7.923656      4.896945      3.108509
  C      -7.528930      3.910042      3.999741
  F      -7.063164      4.292093      5.214898
  C      -7.648128      2.542528      3.712610
  C      -7.292744      1.519697      4.740406
  O      -8.100065      0.717026      5.184369
  N      -5.984882      1.599645      5.242161
  C      -5.724070      1.379845      6.552648
  C      -8.228894      2.186022      2.496351
  H      -7.786380      0.221091     -1.165638
  H      -6.243883      0.753826     -1.903911
  H      -6.539050     -0.984561     -1.527120
  H      -8.466497     -1.263807      0.530583
  H      -9.021163     -2.609615      2.554839
  H      -2.179930     -1.477132      4.936807
  H      -4.643999     -0.325921      2.263811
  H     -10.402577      9.369068      0.912406
  H      -9.202217     10.357518      0.067169
  H     -10.178037      9.153459     -0.847530
  H      -8.845712      9.975016      2.549119
  H      -7.327216     10.039074      4.524783
  H      -4.407661      4.179322      2.807773
  H      -6.338967      6.971387      0.738007
  H      -9.982117      3.242746     -1.649459
  H      -8.778824      4.410565     -1.002006
  H     -10.406901      4.376530     -0.327554
  H      -8.719862      5.290501      1.156831
  H      -7.827939      5.943935      3.392092
  H      -6.518637      1.243118      7.298426
  H      -8.388047      1.134147      2.261219
  N      -4.223526      1.910258      2.952805
  H      -4.653026      1.731906      2.004699
88
Coordinates from ORCA-job orca E -6669.291426135042
  N      -2.191204      0.659408      4.725617
  Mo     -3.930409      1.865803      4.651150
  N      -4.438587      1.434950      6.752655
  C      -3.698827      1.647850      7.974892
  C      -2.238997      1.827059      7.558251
  N      -2.111470      2.666071      6.335338
  C      -0.835617      2.418815      5.629661
  C      -0.824487      0.991141      5.079080
  C      -2.371875      4.099793      6.570688
  C      -3.792042      4.469179      6.135963
  N      -4.026396      3.858160      4.829423
  H      -0.168243      0.950743      4.195271
  H      -0.436369      0.267019      5.812672
  H      -0.789611      3.135076      4.798206
  H       0.035609      2.597898      6.282764
  H      -4.540847      4.099888      6.849260
  H      -3.904159      5.559253      6.059666
  H      -2.219650      4.358549      7.629630
  H      -1.661380      4.685571      5.973615
  H      -3.779338      0.795292      8.668150
  H      -4.079478      2.538045      8.503426
  H      -1.821102      0.840959      7.326966
  H      -1.642672      2.260831      8.377885
  C      -6.708440      0.051826     -1.195013
  C      -6.128394      0.256336      0.169918
  O      -5.325503      1.173587      0.396791
  C      -6.515032     -0.667436      1.272711
  C      -7.740119     -1.353804      1.341043
  C      -8.058784     -2.104064      2.471732
  C      -7.148648     -2.189128      3.524474
  F      -7.491417     -2.893229      4.612223
  C      -5.906128     -1.537548      3.479610
  C      -4.848967     -1.632537      4.525383
  O      -4.644344     -2.614615      5.224791
  N      -4.043590     -0.478772      4.578888
  C      -2.738176     -0.544694      4.773647
  C      -5.620437     -0.794857      2.334813
  C      -9.655904      9.359556      0.088242
  C      -8.624897      8.288924      0.341065
  O      -8.546363      7.292975     -0.375670
  C      -7.701765      8.445323      1.509611
  C      -7.971451      9.323409      2.573285
  C      -7.139109      9.362866      3.688933
  C      -6.035588      8.517009      3.737934
  F      -5.240806      8.571832      4.825957
  C      -5.713214      7.651848      2.682028
  C      -4.569108      6.689463      2.687666
  O      -3.855745      6.518865      1.708528
  N      -4.428947      5.973540      3.888712
  C      -4.302090      4.697908      3.771936
  C      -6.556806      7.643432      1.567347
  C      -9.619653      3.745368     -0.743127
  C      -9.194168      2.704579      0.258245
  O      -9.320235      1.502693      0.029002
  C      -8.608007      3.159128      1.559634
  C      -8.441413      4.517791      1.874573
  C      -7.921383      4.896591      3.109755
  C      -7.526452      3.908186      3.999230
  F      -7.057608      4.288215      5.213829
  C      -7.648002      2.541156      3.710791
  C      -7.292271      1.516815      4.736973
  O      -8.099860      0.714506      5.181133
  N      -5.984328      1.596317      5.238595
  C      -5.723651      1.375819      6.549097
  C      -8.231284      2.186747      2.495136
  H      -7.796649      0.217261     -1.161301
  H      -6.257559      0.754743     -1.903241
  H      -6.546867     -0.984697     -1.526674
  H      -8.470243     -1.266731      0.536336
  H      -9.017655     -2.614604      2.561270
  H      -2.173202     -1.474678      4.935470
  H      -4.644141     -0.325148      2.259663
  H     -10.398718      9.369461      0.901721
  H      -9.194781     10.357610      0.061260
  H     -10.168186      9.154689     -0.857537
  H      -8.846708      9.972736      2.544726
  H      -7.332798     10.036409      4.523890
  H      -4.404478      4.180707      2.808281
  H      -6.333742      6.972114      0.737154
  H      -9.990930      3.250227     -1.646172
  H      -8.785747      4.416350     -0.999082
  H     -10.412716      4.382635     -0.322124
  H      -8.720537      5.293320      1.159901
  H      -7.823633      5.943145      3.394252
  H      -6.518519      1.237471      7.294249
  H      -8.392261      1.135322      2.259162
  N      -4.218841      1.911784      2.950856
  H      -4.646785      1.734110      2.001695
88
Coordinates from ORCA-job orca E -6669.291427657323
  N      -2.193222      0.659667      4.725619
  Mo     -3.932424      1.866408      4.650840
  N      -4.439066      1.437195      6.753247
  C      -3.698822      1.649508      7.975292
  C      -2.238913      1.827622      7.558352
  N      -2.111019      2.666363      6.335767
  C      -0.836007      2.418262      5.629463
  C      -0.826128      0.990675      5.078592
  C      -2.370752      4.099954      6.570777
  C      -3.790651      4.470273      6.135519
  N      -4.025341      3.859008      4.829241
  H      -0.170359      0.950045      4.194448
  H      -0.438200      0.266052      5.811771
  H      -0.789764      3.134587      4.798063
  H       0.035880      2.596492      6.281963
  H      -4.539881      4.101844      6.848809
  H      -3.901967      5.560395      6.058914
  H      -2.218924      4.358891      7.629746
  H      -1.659692      4.685455      5.974077
  H      -3.780045      0.797084      8.668604
  H      -4.078628      2.540140      8.503711
  H      -1.821774      0.841180      7.327020
  H      -1.642335      2.260778      8.378159
  C      -6.704722      0.049887     -1.197377
  C      -6.124641      0.254736      0.167495
  O      -5.327129      1.176329      0.395774
  C      -6.513622     -0.666934      1.271259
  C      -7.739382     -1.352204      1.338819
  C      -8.060202     -2.100753      2.470000
  C      -7.151383     -2.185575      3.523894
  F      -7.496098     -2.888116      4.612043
  C      -5.908098     -1.535422      3.479685
  C      -4.851776     -1.630878      4.526338
  O      -4.648298     -2.612928      5.226142
  N      -4.046076     -0.477467      4.580314
  C      -2.740631     -0.544041      4.775130
  C      -5.620460     -0.793885      2.334627
  C      -9.658417      9.360722      0.095583
  C      -8.629795      8.288048      0.349449
  O      -8.552233      7.292112     -0.367429
  C      -7.703039      8.445810      1.514922
  C      -7.969458      9.325310      2.578243
  C      -7.134095      9.365758      3.691597
  C      -6.030810      8.519503      3.738564
  F      -5.233034      8.575198      4.824357
  C      -5.711553      7.653091      2.682720
  C      -4.567896      6.690112      2.686873
  O      -3.854969      6.519996      1.707342
  N      -4.426900      5.974346      3.887814
  C      -4.300856      4.698595      3.771487
  C      -6.558085      7.643724      1.570301
  C      -9.619163      3.735661     -0.746978
  C      -9.193345      2.697180      0.256598
  O      -9.318774      1.494739      0.029858
  C      -8.607020      3.154676      1.556849
  C      -8.440140      4.514045      1.868645
  C      -7.920739      4.895603      3.103242
  C      -7.526652      3.909206      3.995328
  F      -7.059314      4.291985      5.209703
  C      -7.648108      2.541532      3.709893
  C      -7.293351      1.519272      4.738536
  O      -8.100788      0.716451      5.182024
  N      -5.985217      1.598470      5.239679
  C      -5.724145      1.378531      6.550314
  C      -8.230832      2.184423      2.494746
  H      -7.793151      0.213873     -1.163529
  H      -6.254927      0.753614     -1.905482
  H      -6.541762     -0.986349     -1.529229
  H      -8.468332     -1.265406      0.532999
  H      -9.019676     -2.610264      2.558966
  H      -2.176249     -1.474284      4.937434
  H      -4.643547     -0.325345      2.260086
  H     -10.400824      9.373530      0.909367
  H      -9.194994     10.357676      0.066962
  H     -10.171634      9.155681     -0.849652
  H      -8.844608      9.974836      2.551337
  H      -7.325319     10.040279      4.526332
  H      -4.404470      4.181089      2.808124
  H      -6.337475      6.971325      0.740329
  H      -9.990035      3.238556     -1.649111
  H      -8.785730      4.406765     -1.004136
  H     -10.412716      4.373186     -0.327274
  H      -8.718739      5.287973      1.152019
  H      -7.823056      5.942819      3.385377
  H      -6.518756      1.240939      7.295885
  H      -8.392065      1.132499      2.261242
  N      -4.222218      1.911839      2.950812
  H      -4.651364      1.733956      2.002188
88
Coordinates from ORCA-job orca E -6669.291433229758
  N      -2.190106      0.660588      4.725090
  Mo     -3.931217      1.865013      4.648791
  N      -4.439005      1.435276      6.751243
  C      -3.700287      1.647193      7.974281
  C      -2.239921      1.826544      7.559342
  N      -2.111161      2.666101      6.337546
  C      -0.835383      2.419576      5.632263
  C      -0.823771      0.992485      5.080259
  C      -2.372829      4.099220      6.572623
  C      -3.792545      4.468323      6.135571
  N      -4.025174      3.857453      4.828755
  H      -0.166770      0.953019      4.196985
  H      -0.436348      0.267562      5.813411
  H      -0.789011      3.136518      4.801399
  H       0.035903      2.597986      6.285544
  H      -4.542307      4.098861      6.847756
  H      -3.904768      5.558376      6.059298
  H      -2.222797      4.358145      7.631868
  H      -1.661622      4.685724      5.977083
  H      -3.781959      0.794347      8.667014
  H      -4.081202      2.537327      8.502757
  H      -1.821744      0.840540      7.327969
  H      -1.644703      2.259553      8.380237
  C      -6.707226      0.052587     -1.195759
  C      -6.125481      0.256166      0.168548
  O      -5.324349      1.175000      0.395537
  C      -6.512890     -0.666370      1.272061
  C      -7.739067     -1.350752      1.341233
  C      -8.058524     -2.099829      2.472462
  C      -7.148069     -2.185759      3.524871
  F      -7.491530     -2.888560      4.613265
  C      -5.904539     -1.536188      3.479130
  C      -4.847166     -1.631843      4.524730
  O      -4.643895     -2.613484      5.225170
  N      -4.041925     -0.478139      4.578549
  C      -2.736638     -0.543529      4.775100
  C      -5.618049     -0.794587      2.333840
  C      -9.655529      9.357351      0.089870
  C      -8.627146      8.284828      0.345254
  O      -8.549772      7.287849     -0.370204
  C      -7.701609      8.443117      1.511594
  C      -7.969432      9.322776      2.574449
  C      -7.135267      9.363779      3.688674
  C      -6.031696      8.517973      3.736953
  F      -5.234988      8.574220      4.823498
  C      -5.711030      7.651487      2.681613
  C      -4.566696      6.689328      2.687030
  O      -3.852253      6.520066      1.708500
  N      -4.426856      5.973031      3.887808
  C      -4.300187      4.697436      3.771106
  C      -6.556429      7.641462      1.568324
  C      -9.626370      3.743744     -0.742518
  C      -9.197913      2.703316      0.257886
  O      -9.322983      1.501295      0.028725
  C      -8.609853      3.158307      1.558252
  C      -8.442586      4.517043      1.872473
  C      -7.921567      4.896225      3.107133
  C      -7.526384      3.908111      3.996817
  F      -7.057227      4.288499      5.211221
  C      -7.648329      2.540992      3.708934
  C      -7.292634      1.516811      4.735368
  O      -8.100236      0.714486      5.179446
  N      -5.984506      1.595950      5.236604
  C      -5.723870      1.375638      6.547332
  C      -8.232548      2.186246      2.493827
  H      -7.795124      0.219864     -1.160852
  H      -6.256105      0.754918     -1.904405
  H      -6.547672     -0.984184     -1.527579
  H      -8.469296     -1.262806      0.536707
  H      -9.018197     -2.608735      2.562714
  H      -2.171721     -1.473116      4.939300
  H      -4.640966     -0.326613      2.257992
  H     -10.398473      9.370866      0.903162
  H      -9.191988     10.354231      0.060793
  H     -10.168163      9.151597     -0.855525
  H      -8.844796      9.971971      2.546482
  H      -7.327643     10.038386      4.523075
  H      -4.402505      4.180300      2.807416
  H      -6.334775      6.968785      0.738828
  H      -9.998045      3.248408     -1.645293
  H      -8.794220      4.416592     -0.999235
  H     -10.420060      4.379248     -0.319990
  H      -8.722032      5.292354      1.157659
  H      -7.823456      5.942884      3.391123
  H      -6.518879      1.237135      7.292313
  H      -8.394175      1.134775      2.258564
  N      -4.219989      1.911146      2.948727
  H      -4.648677      1.733699      1.999674
88
Coordinates from ORCA-job orca E -6669.291437223654
  N      -2.187721      0.664494      4.722107
  Mo     -3.932580      1.864675      4.643972
  N      -4.440256      1.435686      6.747603
  C      -3.703338      1.646435      7.971985
  C      -2.242209      1.827019      7.559957
  N      -2.112049      2.667955      6.339495
  C      -0.835777      2.423575      5.634692
  C      -0.822322      0.997481      5.080229
  C      -2.377003      4.100215      6.574403
  C      -3.796492      4.467373      6.134625
  N      -4.026415      3.857073      4.827193
  H      -0.163979      0.960122      4.197873
  H      -0.435462      0.271547      5.812676
  H      -0.789451      3.141744      4.804891
  H       0.035250      2.601591      6.288499
  H      -4.546949      4.096644      6.845402
  H      -3.909889      5.557342      6.058823
  H      -2.230013      4.359301      7.634076
  H      -1.665628      4.688439      5.980777
  H      -3.786089      0.792910      8.663742
  H      -4.085347      2.535971      8.500720
  H      -1.822850      0.841549      7.328357
  H      -1.648881      2.259355      8.382635
  C      -6.713739      0.042566     -1.193810
  C      -6.133355      0.250844      0.170316
  O      -5.333922      1.171785      0.395234
  C      -6.515025     -0.672921      1.274609
  C      -7.738779     -1.361445      1.345697
  C      -8.054311     -2.110811      2.477799
  C      -7.142188     -2.192898      3.529057
  F      -7.481755     -2.896360      4.618264
  C      -5.900881     -1.539246      3.481343
  C      -4.842431     -1.630929      4.526326
  O      -4.634410     -2.612671      5.225237
  N      -4.038161     -0.476454      4.576941
  C      -2.732944     -0.539905      4.775279
  C      -5.618096     -0.797675      2.335089
  C      -9.650294      9.371226      0.095285
  C      -8.623220      8.296980      0.348543
  O      -8.550454      7.298783     -0.365740
  C      -7.697852      8.451618      1.515442
  C      -7.964706      9.329970      2.579625
  C      -7.130661      9.368247      3.694038
  C      -6.028138      8.521014      3.741089
  F      -5.231338      8.574497      4.827724
  C      -5.708634      7.655566      2.684590
  C      -4.564619      6.692929      2.688782
  O      -3.850624      6.523957      1.709948
  N      -4.426432      5.973741      3.887967
  C      -4.300773      4.698214      3.769867
  C      -6.553896      7.648152      1.571192
  C      -9.631803      3.738184     -0.746625
  C      -9.200072      2.698566      0.253161
  O      -9.324834      1.496323      0.024928
  C      -8.610631      3.154626      1.552580
  C      -8.441422      4.513541      1.864862
  C      -7.918793      4.893743      3.098545
  C      -7.524425      3.906333      3.989362
  F      -7.053360      4.287769      5.202690
  C      -7.648607      2.538981      3.703544
  C      -7.293731      1.515613      4.731139
  O      -8.102330      0.715232      5.176886
  N      -5.985329      1.593850      5.231946
  C      -5.724901      1.374836      6.543046
  C      -8.234033      2.183378      2.489270
  H      -7.801818      0.209219     -1.159924
  H      -6.262928      0.743394     -1.904145
  H      -6.553352     -0.995000     -1.522640
  H      -8.470344     -1.276207      0.542092
  H      -9.012159     -2.622844      2.569664
  H      -2.167422     -1.468298      4.944071
  H      -4.642603     -0.326607      2.257533
  H     -10.392246      9.385340      0.909498
  H      -9.185145     10.367350      0.066434
  H     -10.164475      9.166980     -0.849593
  H      -8.839174      9.980409      2.552429
  H      -7.322286     10.041834      4.529433
  H      -4.402436      4.182092      2.805608
  H      -6.332771      6.976631      0.740657
  H     -10.003190      3.242188     -1.649156
  H      -8.801893      4.413551     -1.003859
  H     -10.426823      4.371286     -0.322911
  H      -8.720134      5.288224      1.149086
  H      -7.818765      5.940671      3.380834
  H      -6.520181      1.235668      7.287626
  H      -8.397181      1.131784      2.255617
  N      -4.221362      1.912043      2.944221
  H      -4.650883      1.735565      1.995067
88
Coordinates from ORCA-job orca E -6669.291442295387
  N      -2.185034      0.664994      4.720454
  Mo     -3.931957      1.863239      4.641109
  N      -4.439329      1.434654      6.745719
  C      -3.703493      1.644127      7.970947
  C      -2.241771      1.824896      7.560819
  N      -2.110051      2.666714      6.341719
  C      -0.833868      2.423074      5.637216
  C      -0.820092      0.997764      5.080847
  C      -2.376312      4.098347      6.576600
  C      -3.795391      4.465249      6.134740
  N      -4.023648      3.855623      4.826781
  H      -0.160720      0.961517      4.199228
  H      -0.434279      0.270725      5.812744
  H      -0.787193      3.142191      4.808244
  H       0.037270      2.600099      6.291223
  H      -4.546713      4.093884      6.844250
  H      -3.909009      5.555203      6.059375
  H      -2.231388      4.357472      7.636584
  H      -1.664365      4.687398      5.984461
  H      -3.787270      0.790011      8.661824
  H      -4.085854      2.533301      8.500058
  H      -1.822236      0.839540      7.328888
  H      -1.649583      2.256104      8.384968
  C      -6.713926      0.048037     -1.193570
  C      -6.130463      0.254188      0.169539
  O      -5.327689      1.172600      0.393052
  C      -6.513629     -0.668024      1.274611
  C      -7.739498     -1.352640      1.347374
  C      -8.055969     -2.100891      2.479939
  C      -7.142809     -2.185681      3.530098
  F      -7.483572     -2.887309      4.620094
  C      -5.899483     -1.536001      3.480700
  C      -4.840281     -1.629805      4.524768
  O      -4.634693     -2.611042      5.225165
  N      -4.035325     -0.475942      4.575483
  C      -2.730348     -0.539254      4.775887
  C      -5.615816     -0.795390      2.334013
  C      -9.649323      9.358691      0.086583
  C      -8.621395      8.285915      0.342498
  O      -8.544541      7.288396     -0.372324
  C      -7.698156      8.442642      1.510815
  C      -7.969031      9.319904      2.574881
  C      -7.137021      9.359862      3.690759
  C      -6.032362      8.515501      3.739285
  F      -5.237468      8.570487      4.827244
  C      -5.708789      7.651450      2.682888
  C      -4.562221      6.691885      2.688739
  O      -3.844279      6.527149      1.712078
  N      -4.424220      5.972656      3.887879
  C      -4.297484      4.697347      3.769555
  C      -6.552178      7.642171      1.568084
  C      -9.636819      3.749643     -0.740543
  C      -9.203437      2.707494      0.255864
  O      -9.327857      1.505830      0.024445
  C      -8.612734      3.160306      1.555837
  C      -8.443310      4.518468      1.871363
  C      -7.919897      4.895608      3.105634
  C      -7.524814      3.906027      3.993672
  F      -7.053221      4.284416      5.207763
  C      -7.648909      2.539395      3.704460
  C      -7.292859      1.513731      4.729303
  O      -8.100953      0.712307      5.174110
  N      -5.984340      1.591928      5.229754
  C      -5.723748      1.372502      6.540871
  C      -8.235268      2.186718      2.489786
  H      -7.801003      0.220821     -1.158012
  H      -6.260514      0.746071     -1.904995
  H      -6.559819     -0.990587     -1.521999
  H      -8.471638     -1.265319      0.544508
  H      -9.015335     -2.609841      2.573122
  H      -2.165251     -1.467353      4.947629
  H      -4.639033     -0.327213      2.255305
  H     -10.393729      9.371371      0.898570
  H      -9.185622     10.355542      0.059525
  H     -10.160414      9.153991     -0.859875
  H      -8.845145      9.968072      2.546459
  H      -7.331873     10.032560      4.526123
  H      -4.398784      4.181524      2.805104
  H      -6.327968      6.971445      0.737704
  H     -10.008297      3.256035     -1.644337
  H      -8.807960      4.426879     -0.996209
  H     -10.432315      4.380418     -0.314206
  H      -8.722589      5.295006      1.157798
  H      -7.819884      5.941838      3.390503
  H      -6.519067      1.232472      7.285249
  H      -8.398418      1.135678      2.253626
  N      -4.221587      1.911312      2.941701
  H      -4.652263      1.735394      1.992917
88
Coordinates from ORCA-job orca E -6669.291443334986
  N      -2.185783      0.666094      4.720065
  Mo     -3.933459      1.863433      4.640764
  N      -4.440082      1.435327      6.745654
  C      -3.703947      1.644185      7.970821
  C      -2.242244      1.825134      7.560640
  N      -2.110599      2.667427      6.342105
  C      -0.834779      2.424334      5.637087
  C      -0.820813      0.999297      5.080020
  C      -2.377446      4.098734      6.577190
  C      -3.796395      4.465495      6.134524
  N      -4.024166      3.855873      4.826505
  H      -0.161870      0.963747      4.198058
  H      -0.434440      0.271976      5.811332
  H      -0.788458      3.143846      4.808433
  H       0.036652      2.601159      6.290788
  H      -4.547984      4.094088      6.843719
  H      -3.910051      5.555440      6.059160
  H      -2.233438      4.357608      7.637369
  H      -1.665256      4.688310      5.985857
  H      -3.787653      0.789708      8.661259
  H      -4.086236      2.533102      8.500412
  H      -1.822719      0.839862      7.328257
  H      -1.650167      2.255838      8.385158
  C      -6.714045      0.046115     -1.193473
  C      -6.129999      0.252119      0.169446
  O      -5.328866      1.171799      0.393362
  C      -6.513171     -0.669987      1.274661
  C      -7.738587     -1.355429      1.347288
  C      -8.054837     -2.103624      2.479956
  C      -7.141951     -2.187474      3.530443
  F      -7.482501     -2.889151      4.620472
  C      -5.899070     -1.536952      3.481166
  C      -4.839742     -1.630017      4.525127
  O      -4.633418     -2.611146      5.225485
  N      -4.035752     -0.475482      4.576018
  C      -2.730609     -0.538270      4.776218
  C      -5.615634     -0.796444      2.334373
  C      -9.649609      9.362435      0.091460
  C      -8.622020      8.289097      0.346460
  O      -8.545854      7.291915     -0.368873
  C      -7.697123      8.445703      1.513511
  C      -7.965800      9.323833      2.577400
  C      -7.132334      9.363635      3.692203
  C      -6.028480      8.518184      3.739837
  F      -5.232101      8.573181      4.826706
  C      -5.707075      7.653181      2.683511
  C      -4.561480      6.692425      2.688584
  O      -3.845043      6.526154      1.711070
  N      -4.423439      5.973084      3.887583
  C      -4.297690      4.697683      3.769274
  C      -6.551853      7.644125      1.569766
  C      -9.636560      3.744011     -0.743624
  C      -9.204073      2.703141      0.254544
  O      -9.329339      1.501214      0.025033
  C      -8.613286      3.157608      1.553886
  C      -8.443685      4.516171      1.867633
  C      -7.920267      4.894821      3.101420
  C      -7.525177      3.906359      3.990706
  F      -7.053855      4.286442      5.204386
  C      -7.649396      2.539348      3.703300
  C      -7.293601      1.514764      4.729335
  O      -8.101522      0.713011      5.173868
  N      -5.985165      1.593306      5.229941
  C      -5.724486      1.373411      6.541006
  C      -8.235941      2.185223      2.489111
  H      -7.801123      0.218785     -1.157455
  H      -6.261029      0.744378     -1.904926
  H      -6.559931     -0.992410     -1.522189
  H      -8.470506     -1.269025      0.544107
  H      -9.013855     -2.613263      2.572981
  H      -2.165285     -1.466189      4.948138
  H      -4.639185     -0.327560      2.255886
  H     -10.393426      9.375343      0.903982
  H      -9.185496     10.359091      0.064169
  H     -10.161485      9.158084     -0.854650
  H      -8.841341      9.972804      2.549718
  H      -7.325434     10.037061      4.527388
  H      -4.399285      4.181886      2.804849
  H      -6.329505      6.972587      0.739528
  H     -10.008207      3.249249     -1.646715
  H      -8.807179      4.420235     -1.000263
  H     -10.431760      4.375912     -0.318398
  H      -8.723060      5.291824      1.153177
  H      -7.820311      5.941396      3.385016
  H      -6.519748      1.233554      7.285477
  H      -8.399322      1.133911      2.254333
  N      -4.223781      1.911277      2.941472
  H      -4.654905      1.735042      1.993062
88
Coordinates from ORCA-job orca E -6669.291443241665
  N      -2.186382      0.666730      4.719088
  Mo     -3.933984      1.864558      4.639946
  N      -4.440747      1.437259      6.745084
  C      -3.704474      1.645366      7.970306
  C      -2.242524      1.825304      7.560474
  N      -2.109847      2.667698      6.342251
  C      -0.834325      2.423863      5.637067
  C      -0.821299      0.999033      5.079471
  C      -2.376126      4.099034      6.577186
  C      -3.794728      4.466551      6.134064
  N      -4.022607      3.857097      4.826010
  H      -0.162260      0.963426      4.197586
  H      -0.435515      0.271156      5.810543
  H      -0.787567      3.143611      4.808647
  H       0.037362      2.599814      6.290685
  H      -4.546696      4.095518      6.843046
  H      -3.907747      5.556560      6.058711
  H      -2.232473      4.357904      7.637425
  H      -1.663438      4.688333      5.986177
  H      -3.788751      0.790707      8.660460
  H      -4.086249      2.534327      8.500190
  H      -1.823723      0.839734      7.328027
  H      -1.650410      2.255261      8.385378
  C      -6.714438      0.040984     -1.194176
  C      -6.131639      0.249758      0.168898
  O      -5.332524      1.171255      0.392333
  C      -6.514859     -0.671156      1.275144
  C      -7.739727     -1.357553      1.347881
  C      -8.056000     -2.104684      2.481220
  C      -7.143530     -2.186873      3.532195
  F      -7.484196     -2.887631      4.622741
  C      -5.900980     -1.535720      3.482736
  C      -4.841725     -1.627854      4.526808
  O      -4.634793     -2.608795      5.227272
  N      -4.037116     -0.473650      4.576299
  C      -2.732081     -0.537140      4.776540
  C      -5.617725     -0.795910      2.335419
  C      -9.652964      9.363129      0.098516
  C      -8.623268      8.291136      0.350759
  O      -8.546530      7.294956     -0.365866
  C      -7.697339      8.447600      1.517059
  C      -7.965335      9.324986      2.581719
  C      -7.130847      9.364375      3.695776
  C      -6.026739      8.519172      3.741931
  F      -5.229559      8.573621      4.828234
  C      -5.705979      7.654936      2.684750
  C      -4.560618      6.693935      2.688404
  O      -3.844595      6.528440      1.710422
  N      -4.421251      5.974592      3.887240
  C      -4.295900      4.699175      3.768747
  C      -6.551721      7.646417      1.571748
  C      -9.631891      3.739755     -0.749086
  C      -9.202172      2.699958      0.251448
  O      -9.328452      1.497830      0.023628
  C      -8.612024      3.155819      1.550586
  C      -8.442123      4.514725      1.862745
  C      -7.919285      4.894703      3.096354
  C      -7.524973      3.907192      3.987053
  F      -7.054348      4.288685      5.200557
  C      -7.649382      2.539854      3.701240
  C      -7.294148      1.516377      4.728545
  O      -8.102221      0.714809      5.173175
  N      -5.985792      1.595058      5.229313
  C      -5.725171      1.375762      6.540485
  C      -8.235454      2.184450      2.487185
  H      -7.801697      0.212816     -1.159265
  H      -6.261469      0.738539     -1.906361
  H      -6.559242     -0.997909     -1.521176
  H      -8.471269     -1.272797      0.544163
  H      -9.014694     -2.614914      2.574341
  H      -2.167539     -1.465292      4.949755
  H      -4.641544     -0.326489      2.256866
  H     -10.395801      9.373616      0.911974
  H      -9.190645     10.360637      0.071996
  H     -10.165652      9.159195     -0.847246
  H      -8.841153      9.973638      2.555272
  H      -7.323408     10.037223      4.531553
  H      -4.398385      4.183446      2.804381
  H      -6.330072      6.975453      0.740884
  H     -10.002780      3.243970     -1.651928
  H      -8.801245      4.414477     -1.005621
  H     -10.427010      4.373253     -0.326090
  H      -8.721009      5.289623      1.147302
  H      -7.819233      5.941592      3.378781
  H      -6.520466      1.236281      7.284995
  H      -8.399009      1.132906      2.253535
  N      -4.224902      1.912533      2.940763
  H      -4.656782      1.736395      1.992769
88
Coordinates from ORCA-job orca E -6669.291444280178
  N      -2.185816      0.667509      4.718003
  Mo     -3.934182      1.864449      4.639505
  N      -4.440556      1.436600      6.744670
  C      -3.704200      1.644309      7.969904
  C      -2.242307      1.824832      7.560125
  N      -2.109840      2.667782      6.342341
  C      -0.834360      2.424701      5.636896
  C      -0.820876      1.000157      5.078603
  C      -2.376774      4.098880      6.577723
  C      -3.795453      4.466031      6.134500
  N      -4.023020      3.856909      4.826238
  H      -0.161817      0.965231      4.196706
  H      -0.434848      0.272050      5.809319
  H      -0.787977      3.144858      4.808811
  H       0.037385      2.600627      6.290453
  H      -4.547375      4.094495      6.843267
  H      -3.908830      5.556023      6.059476
  H      -2.233448      4.357464      7.638081
  H      -1.664216      4.688697      5.987073
  H      -3.788136      0.789241      8.659597
  H      -4.086210      2.532846      8.500329
  H      -1.823237      0.839473      7.327244
  H      -1.650346      2.254528      8.385284
  C      -6.716643      0.040900     -1.193285
  C      -6.133083      0.249606      0.169486
  O      -5.333857      1.171067      0.392551
  C      -6.515442     -0.671666      1.275764
  C      -7.739898     -1.358748      1.348905
  C      -8.055274     -2.106263      2.482239
  C      -7.142328     -2.188177      3.532824
  F      -7.482210     -2.889302      4.623372
  C      -5.900160     -1.536314      3.482980
  C      -4.840436     -1.628009      4.526585
  O      -4.632833     -2.608817      5.227041
  N      -4.036221     -0.473486      4.575659
  C      -2.731170     -0.536503      4.775839
  C      -5.617828     -0.796119      2.335670
  C      -9.651031      9.363985      0.095981
  C      -8.620816      8.292443      0.348056
  O      -8.542437      7.297301     -0.369821
  C      -7.696422      8.448119      1.515704
  C      -7.965897      9.324604      2.580726
  C      -7.132709      9.363362      3.695779
  C      -6.028442      8.518402      3.742605
  F      -5.232538      8.572299      4.829863
  C      -5.706266      7.654977      2.685189
  C      -4.560608      6.694359      2.689291
  O      -3.844518      6.528737      1.711374
  N      -4.421653      5.974697      3.888033
  C      -4.296437      4.699297      3.769188
  C      -6.550719      7.647101      1.571196
  C      -9.631581      3.741209     -0.748487
  C      -9.202525      2.701045      0.251979
  O      -9.329963      1.499032      0.024221
  C      -8.612351      3.156439      1.551265
  C      -8.442277      4.515229      1.863854
  C      -7.919253      4.894728      3.097533
  C      -7.524883      3.906876      3.987826
  F      -7.053847      4.287936      5.201305
  C      -7.649512      2.539652      3.701593
  C      -7.294090      1.515824      4.728440
  O      -8.101986      0.713853      5.172689
  N      -5.985734      1.594551      5.229165
  C      -5.724962      1.374712      6.540200
  C      -8.235821      2.184724      2.487516
  H      -7.803848      0.212994     -1.157756
  H      -6.263926      0.738382     -1.905706
  H      -6.561875     -0.998012     -1.520408
  H      -8.471830     -1.274342      0.545502
  H      -9.013648     -2.617037      2.575669
  H      -2.166372     -1.464437      4.949404
  H      -4.641967     -0.326073      2.256839
  H     -10.394833      9.372788      0.908578
  H      -9.189509     10.361907      0.071298
  H     -10.162429      9.160882     -0.850660
  H      -8.841797      9.973123      2.553716
  H      -7.326368     10.035591      4.531798
  H      -4.398634      4.183862      2.804635
  H      -6.327928      6.976923      0.740001
  H     -10.002840      3.245709     -1.651335
  H      -8.800412      4.415273     -1.005036
  H     -10.426252      4.375264     -0.325486
  H      -8.721153      5.290424      1.148721
  H      -7.819064      5.941502      3.380321
  H      -6.520145      1.234766      7.284741
  H      -8.399534      1.133282      2.253518
  N      -4.225607      1.912775      2.940415
  H      -4.657852      1.736615      1.992627
