89
Coordinates from ORCA-job orca E -6723.881138297739
  N      -3.588059      0.278792      4.753129
  Mo     -3.720432      2.385639      4.578805
  N      -5.063042      2.576509      6.211391
  C      -4.394221      3.027715      7.411886
  C      -3.087945      2.248149      7.632554
  N      -2.288002      2.071101      6.397248
  C      -1.781221      0.695166      6.314816
  C      -2.926384     -0.247052      5.931189
  C      -1.186335      3.053077      6.347964
  C      -1.771700      4.438298      6.006949
  N      -2.863329      4.110781      5.139127
  H      -2.521514     -1.250360      5.745999
  H      -3.659981     -0.330528      6.746108
  H      -1.027235      0.652471      5.522388
  H      -1.321227      0.374391      7.258110
  H      -2.114569      4.977053      6.900907
  H      -1.027049      5.067438      5.502986
  H      -0.629298      3.076662      7.292391
  H      -0.505487      2.758647      5.543264
  H      -5.031491      2.898823      8.298187
  H      -4.196294      4.105866      7.313922
  H      -3.356776      1.264954      8.024108
  H      -2.496043      2.758829      8.399949
  C      -4.247470      4.741648     -1.120267
  C      -4.418271      3.745660     -0.022438
  O      -4.303038      4.037597      1.167936
  C      -4.762014      2.352397     -0.387552
  C      -5.396973      1.975619     -1.575153
  C      -5.780156      0.659813     -1.755243
  C      -5.547613     -0.275906     -0.754820
  F      -5.999288     -1.524897     -0.941637
  C      -4.896178      0.067565      0.427126
  C      -4.647264     -0.864271      1.573735
  O      -4.696938     -2.083030      1.509365
  N      -4.391071     -0.113902      2.680005
  C      -3.866918     -0.564400      3.791580
  C      -4.489720      1.387074      0.573618
  C      -7.733799     10.260799     -0.422197
  C      -7.267763      8.918875      0.045159
  O      -7.475516      7.894693     -0.576015
  C      -6.510487      8.869504      1.335703
  C      -6.028972      9.998576      1.999741
  C      -5.325482      9.863532      3.183841
  C      -5.083900      8.601841      3.699560
  F      -4.419772      8.506230      4.867115
  C      -5.547454      7.452231      3.060654
  C      -5.294785      6.079959      3.545009
  O      -6.086579      5.151166      3.335806
  N      -4.118623      5.926017      4.227773
  C      -3.778441      4.703033      4.476618
  C      -6.271261      7.615032      1.885599
  C     -13.789886     -0.758606      4.175085
  C     -12.752158     -0.052959      4.990086
  O     -12.952225      0.337038      6.119866
  C     -11.412684      0.163532      4.347143
  C     -11.008395     -0.472213      3.174719
  C      -9.751285     -0.221870      2.653929
  C      -8.899418      0.650169      3.307138
  F      -7.679178      0.881552      2.730773
  C      -9.260956      1.302693      4.480306
  C      -8.416818      2.249173      5.272751
  O      -8.941749      3.161021      5.908322
  N      -7.077609      2.024886      5.236961
  C      -6.357289      2.509381      6.233320
  C     -10.535695      1.041494      4.974488
  H      -5.225884      4.985774     -1.533378
  H      -3.801353      5.652580     -0.729852
  H      -3.635808      4.325788     -1.916312
  H      -5.615835      2.700836     -2.341640
  H      -6.280882      0.343546     -2.656605
  H      -3.609860     -1.629319      3.906176
  H      -3.946399      1.658019      1.463774
  H      -8.301775     10.755660      0.361160
  H      -6.872211     10.878250     -0.667358
  H      -8.349903     10.140982     -1.309209
  H      -6.196343     10.985485      1.601247
  H      -4.956673     10.725557      3.716953
  H      -4.456833      3.888712      4.005913
  H      -6.648665      6.732740      1.387928
  H     -14.738561     -0.736622      4.704319
  H     -13.490592     -1.794095      4.026464
  H     -13.893672     -0.285460      3.202412
  H     -11.658033     -1.161912      2.662258
  H      -9.413447     -0.693691      1.744290
  H      -6.892378      2.808629      7.150022
  H     -10.848562      1.544218      5.878895
  N      -2.283084      2.206650      3.017110
  N      -1.438220      2.101441      2.099155
  H      -0.513986      1.848548      2.465915
89
Coordinates from ORCA-job orca E -6723.916311172380
  N      -3.510866      0.242477      4.843245
  Mo     -3.643505      2.334646      4.676949
  N      -4.979297      2.522778      6.294369
  C      -4.322587      2.973051      7.511749
  C      -3.029717      2.187674      7.735775
  N      -2.220507      2.015418      6.490225
  C      -1.709474      0.628580      6.399607
  C      -2.851954     -0.306936      6.019573
  C      -1.113802      3.005047      6.436075
  C      -1.699102      4.388386      6.101715
  N      -2.793427      4.071029      5.232135
  H      -2.449808     -1.311087      5.823932
  H      -3.583002     -0.396462      6.839497
  H      -0.954807      0.594335      5.603957
  H      -1.244011      0.308873      7.344002
  H      -2.045096      4.926557      6.996887
  H      -0.954850      5.019914      5.595951
  H      -0.555018      3.022129      7.381778
  H      -0.434539      2.707620      5.628425
  H      -4.969899      2.841670      8.391359
  H      -4.115540      4.052228      7.425394
  H      -3.299640      1.197789      8.118026
  H      -2.433753      2.690666      8.508784
  C      -4.519086      4.892662     -1.237778
  C      -4.579760      3.915399     -0.101330
  O      -4.363446      4.253938      1.064530
  C      -4.925623      2.497085     -0.402690
  C      -5.629781      2.078326     -1.541680
  C      -5.996147      0.745577     -1.672848
  C      -5.675331     -0.165656     -0.668768
  F      -6.106929     -1.429903     -0.807276
  C      -4.960293      0.212949      0.473716
  C      -4.633832     -0.720959      1.615158
  O      -4.678738     -1.944814      1.531379
  N      -4.344294     -0.014702      2.764536
  C      -3.808517     -0.554429      3.830625
  C      -4.579111      1.553276      0.562771
  C      -7.756694     10.000159     -0.566588
  C      -7.265948      8.683923     -0.029007
  O      -7.453271      7.626329     -0.613871
  C      -6.516655      8.702020      1.273621
  C      -6.061772      9.875702      1.890400
  C      -5.359596      9.814520      3.087850
  C      -5.094361      8.580005      3.665420
  F      -4.436356      8.563565      4.841797
  C      -5.532235      7.383374      3.077582
  C      -5.262425      6.028263      3.619018
  O      -6.044220      5.090351      3.428775
  N      -4.064919      5.892000      4.312506
  C      -3.715994      4.675029      4.566293
  C      -6.254859      7.476330      1.886548
  C     -13.751068     -0.689535      4.012308
  C     -12.701391     -0.042211      4.875554
  O     -12.904292      0.256089      6.042052
  C     -11.362268      0.233091      4.245712
  C     -10.964850     -0.307481      3.015819
  C      -9.708071     -0.014998      2.500940
  C      -8.850064      0.805099      3.219363
  F      -7.647830      1.091891      2.655299
  C      -9.200604      1.362620      4.450308
  C      -8.339703      2.246110      5.300147
  O      -8.859077      3.114619      6.007315
  N      -6.984708      2.015477      5.254080
  C      -6.295133      2.453659      6.286989
  C     -10.476914      1.062443      4.936272
  H      -5.540015      5.113737     -1.577232
  H      -4.056622      5.825561     -0.905229
  H      -3.966198      4.468042     -2.082061
  H      -5.912808      2.787502     -2.315250
  H      -6.549899      0.396223     -2.540750
  H      -3.572708     -1.631876      3.885764
  H      -3.995073      1.862130      1.415125
  H      -8.346663     10.527882      0.190930
  H      -6.900498     10.631558     -0.834444
  H      -8.364557      9.826331     -1.457937
  H      -6.249435     10.846881      1.440707
  H      -5.010437     10.715963      3.585250
  H      -4.406402      3.855180      4.086334
  H      -6.612453      6.558970      1.423897
  H     -14.700839     -0.713797      4.552486
  H     -13.450104     -1.717476      3.774721
  H     -13.868461     -0.141175      3.071398
  H     -11.625787     -0.958890      2.450800
  H      -9.376893     -0.412419      1.544549
  H      -6.846563      2.742122      7.199603
  H     -10.784418      1.492641      5.886909
  N      -2.236939      2.172504      3.171764
  N      -1.419176      2.081934      2.288799
  H      -0.474375      1.829379      2.640135
89
Coordinates from ORCA-job orca E -6723.938068926282
  N      -3.495441      0.178183      4.901322
  Mo     -3.620008      2.247199      4.715821
  N      -4.918047      2.459109      6.337002
  C      -4.255600      2.916852      7.552826
  C      -2.975086      2.121331      7.767556
  N      -2.181606      1.935221      6.501957
  C      -1.677794      0.534487      6.413281
  C      -2.831008     -0.392584      6.064075
  C      -1.066526      2.923640      6.415429
  C      -1.646943      4.305689      6.080174
  N      -2.760684      3.998385      5.228562
  H      -2.443513     -1.402046      5.859699
  H      -3.549215     -0.476782      6.896909
  H      -0.936266      0.497039      5.604058
  H      -1.193804      0.224901      7.353325
  H      -1.976773      4.855303      6.975622
  H      -0.905802      4.927264      5.555317
  H      -0.492274      2.940776      7.352845
  H      -0.404140      2.608790      5.599222
  H      -4.900415      2.797073      8.436738
  H      -4.037589      3.994027      7.460752
  H      -3.242012      1.130954      8.154407
  H      -2.357937      2.620497      8.528325
  C      -4.342134      5.174580     -1.072947
  C      -4.412681      4.172626      0.048992
  O      -4.128316      4.483104      1.207041
  C      -4.847459      2.775014     -0.265539
  C      -5.599074      2.421910     -1.399932
  C      -6.040809      1.110955     -1.562078
  C      -5.744455      0.155094     -0.590718
  F      -6.242213     -1.082201     -0.759352
  C      -4.988084      0.464174      0.552469
  C      -4.694050     -0.523559      1.649649
  O      -4.791760     -1.743093      1.517237
  N      -4.353351      0.106942      2.843014
  C      -3.834131     -0.554825      3.845434
  C      -4.538777      1.785062      0.669705
  C      -7.911808      9.596594     -0.765232
  C      -7.385637      8.321486     -0.152563
  O      -7.564103      7.226760     -0.679083
  C      -6.619230      8.424562      1.137268
  C      -6.178425      9.645421      1.676984
  C      -5.453545      9.673138      2.866122
  C      -5.154136      8.477713      3.511823
  F      -4.475134      8.546850      4.674878
  C      -5.578511      7.235652      3.004954
  C      -5.278433      5.913701      3.613595
  O      -6.048656      4.962497      3.483517
  N      -4.050768      5.818351      4.298494
  C      -3.694847      4.612171      4.567884
  C      -6.323189      7.241560      1.819793
  C     -13.756909     -0.616005      3.981035
  C     -12.682932     -0.033559      4.869772
  O     -12.868048      0.164630      6.066437
  C     -11.358969      0.302599      4.239422
  C     -10.991192     -0.132846      2.954219
  C      -9.746955      0.204920      2.428508
  C      -8.870777      0.966314      3.194402
  F      -7.695345      1.312752      2.631033
  C      -9.189306      1.417602      4.481090
  C      -8.297459      2.230382      5.366556
  O      -8.794209      3.050823      6.147138
  N      -6.927833      1.994976      5.277311
  C      -6.251023      2.396119      6.326015
  C     -10.455514      1.076132      4.976078
  H      -5.364368      5.462334     -1.370257
  H      -3.815473      6.074678     -0.737027
  H      -3.846075      4.743453     -1.954049
  H      -5.858326      3.168653     -2.151968
  H      -6.631681      0.814130     -2.429675
  H      -3.642754     -1.642416      3.826047
  H      -3.925374      2.046787      1.524063
  H      -8.505639     10.164214     -0.033726
  H      -7.071639     10.233724     -1.083920
  H      -8.527863      9.355440     -1.638449
  H      -6.394430     10.586939      1.170376
  H      -5.113453     10.612610      3.303932
  H      -4.411732      3.788024      4.099075
  H      -6.668952      6.289125      1.416296
  H     -14.694382     -0.689851      4.543355
  H     -13.460738     -1.623301      3.647635
  H     -13.903623      0.005649      3.085898
  H     -11.670732     -0.738170      2.353027
  H      -9.441271     -0.108969      1.429405
  H      -6.795857      2.683059      7.243279
  H     -10.740262      1.424745      5.969774
  N      -2.289444      2.077945      3.254973
  N      -1.508906      1.986684      2.377297
  H      -0.536041      1.734611      2.667509
89
Coordinates from ORCA-job orca E -6723.951209809280
  N      -3.433506      0.152711      4.975539
  Mo     -3.559688      2.202239      4.782291
  N      -4.847425      2.412593      6.396024
  C      -4.198752      2.868041      7.620479
  C      -2.923631      2.071274      7.833894
  N      -2.130072      1.892205      6.559599
  C      -1.618318      0.487145      6.467951
  C      -2.771740     -0.438221      6.125658
  C      -1.016818      2.888442      6.466944
  C      -1.599184      4.268412      6.136490
  N      -2.715713      3.970099      5.281983
  H      -2.391905     -1.449040      5.910477
  H      -3.484778     -0.525230      6.962654
  H      -0.878962      0.459174      5.656068
  H      -1.126710      0.185498      7.407016
  H      -1.929991      4.816834      7.032797
  H      -0.858220      4.891009      5.611572
  H      -0.441018      2.901613      7.403830
  H      -0.356955      2.570635      5.649368
  H      -4.851106      2.745414      8.499017
  H      -3.978296      3.945578      7.535791
  H      -3.183780      1.075100      8.211335
  H      -2.298652      2.563250      8.593725
  C      -4.677568      5.302830     -1.085011
  C      -4.615783      4.317661      0.055306
  O      -4.196248      4.651305      1.162956
  C      -5.078995      2.912841     -0.181665
  C      -5.927661      2.539033     -1.238703
  C      -6.375348      1.223506     -1.344656
  C      -5.985082      0.283570     -0.391614
  F      -6.484563     -0.959388     -0.503136
  C      -5.136481      0.612519      0.682769
  C      -4.755869     -0.370433      1.749726
  O      -4.860749     -1.589063      1.616946
  N      -4.345015      0.227854      2.950381
  C      -3.801843     -0.517742      3.884798
  C      -4.691741      1.939157      0.742146
  C      -7.826804      9.354049     -0.921417
  C      -7.305239      8.108710     -0.242356
  O      -7.471093      6.992611     -0.731430
  C      -6.564504      8.264092      1.054985
  C      -6.137046      9.510099      1.549972
  C      -5.427962      9.592596      2.747080
  C      -5.133484      8.424578      3.445429
  F      -4.468995      8.543939      4.612476
  C      -5.547601      7.160021      2.987518
  C      -5.253095      5.862456      3.648790
  O      -6.017995      4.907874      3.545211
  N      -4.015398      5.790884      4.344533
  C      -3.651773      4.591092      4.620534
  C      -6.275892      7.112080      1.792013
  C     -13.625882     -0.634856      3.750444
  C     -12.558922     -0.121669      4.692438
  O     -12.744520     -0.071778      5.906373
  C     -11.254243      0.330630      4.102880
  C     -10.888865      0.061543      2.770234
  C      -9.662795      0.497459      2.273509
  C      -8.799968      1.190726      3.118077
  F      -7.651774      1.650827      2.592553
  C      -9.115861      1.474503      4.454917
  C      -8.230957      2.206892      5.410349
  O      -8.736312      2.934422      6.272016
  N      -6.845145      1.998434      5.294289
  C      -6.189617      2.349369      6.370365
  C     -10.365947      1.040724      4.919047
  H      -5.728906      5.588903     -1.267351
  H      -4.115796      6.207212     -0.823295
  H      -4.287539      4.861762     -2.014914
  H      -6.253863      3.273946     -1.978060
  H      -7.038839      0.910347     -2.153129
  H      -3.647214     -1.606716      3.804008
  H      -4.015869      2.224705      1.539700
  H      -8.438922      9.953196     -0.228990
  H      -6.985326      9.986271     -1.251600
  H      -8.423845      9.069892     -1.795767
  H      -6.349690     10.428916      0.999537
  H      -5.096472     10.551519      3.150198
  H      -4.380718      3.764904      4.144268
  H      -6.611401      6.141972      1.421984
  H     -14.553385     -0.804861      4.309759
  H     -13.303094     -1.587143      3.296720
  H     -13.806160      0.078702      2.931369
  H     -11.560412     -0.489567      2.108730
  H      -9.362768      0.316000      1.239466
  H      -6.735966      2.616955      7.291868
  H     -10.649870      1.259997      5.950179
  N      -2.257241      2.056378      3.392293
  N      -1.467743      1.981492      2.516199
  H      -0.480788      1.736967      2.763778
89
Coordinates from ORCA-job orca E -6723.957803258407
  N      -3.485358      0.065742      5.073099
  Mo     -3.591419      2.085501      4.754376
  N      -4.825746      2.403777      6.384142
  C      -4.150032      2.914497      7.570466
  C      -2.882768      2.111108      7.791419
  N      -2.128247      1.855190      6.500450
  C      -1.630778      0.435613      6.475870
  C      -2.807169     -0.490533      6.224332
  C      -1.007302      2.834477      6.313964
  C      -1.580501      4.201435      5.924934
  N      -2.726984      3.882178      5.115106
  H      -2.456002     -1.519281      6.047099
  H      -3.493831     -0.520445      7.086817
  H      -0.916307      0.357842      5.645293
  H      -1.110798      0.190738      7.416151
  H      -1.879111      4.803372      6.798034
  H      -0.845237      4.782431      5.346515
  H      -0.404169      2.888892      7.232136
  H      -0.377295      2.457182      5.497988
  H      -4.785968      2.847451      8.467248
  H      -3.915746      3.982979      7.426189
  H      -3.139541      1.136082      8.222422
  H      -2.221538      2.627683      8.502984
  C      -4.194508      5.415733     -0.762505
  C      -4.245600      4.395521      0.346611
  O      -3.769096      4.634784      1.456297
  C      -4.887512      3.069940      0.076952
  C      -5.778597      2.831874     -0.984240
  C      -6.380333      1.581794     -1.127730
  C      -6.094578      0.571265     -0.210367
  F      -6.729720     -0.603338     -0.361677
  C      -5.209274      0.768393      0.868672
  C      -4.923234     -0.274017      1.894370
  O      -5.121456     -1.475795      1.730688
  N      -4.434269      0.249367      3.109517
  C      -3.922158     -0.579128      3.995207
  C      -4.621150      2.032497      0.968559
  C      -8.120151      9.287956     -0.939161
  C      -7.579014      8.029074     -0.300944
  O      -7.819128      6.920663     -0.778415
  C      -6.736328      8.159331      0.932221
  C      -6.248105      9.397969      1.389070
  C      -5.452669      9.470413      2.530021
  C      -5.135285      8.297736      3.210372
  F      -4.390246      8.406413      4.328188
  C      -5.602395      7.039737      2.789861
  C      -5.292168      5.743049      3.448091
  O      -6.074742      4.801663      3.405250
  N      -4.026372      5.675454      4.112497
  C      -3.671411      4.487015      4.446302
  C      -6.415464      7.002037      1.648930
  C     -13.554470     -0.723794      3.672949
  C     -12.491210     -0.238961      4.635294
  O     -12.662578     -0.292662      5.851359
  C     -11.217530      0.312204      4.070123
  C     -10.867823      0.166294      2.713945
  C      -9.670658      0.689059      2.231534
  C      -8.818212      1.345479      3.116226
  F      -7.706377      1.906198      2.613525
  C      -9.118784      1.503642      4.478812
  C      -8.237653      2.192749      5.465521
  O      -8.744448      2.854571      6.375051
  N      -6.840339      2.008966      5.315874
  C      -6.174337      2.358224      6.384849
  C     -10.342399      0.988837      4.927575
  H      -5.201674      5.843002     -0.918014
  H      -3.515850      6.229456     -0.480167
  H      -3.877349      4.961314     -1.714125
  H      -6.016376      3.622955     -1.699449
  H      -7.079700      1.373960     -1.940101
  H      -3.836475     -1.671173      3.885577
  H      -3.916720      2.219791      1.771938
  H      -8.659105      9.905978     -0.203143
  H      -7.292930      9.901025     -1.336524
  H      -8.791830      9.018440     -1.762637
  H      -6.485031     10.319574      0.852775
  H      -5.074784     10.423407      2.905782
  H      -4.437973      3.646629      4.030428
  H      -6.799593      6.039477      1.309706
  H     -14.462556     -0.975534      4.233441
  H     -13.203311     -1.623619      3.138982
  H     -13.781454      0.040117      2.912237
  H     -11.533194     -0.355386      2.022544
  H      -9.387177      0.606818      1.180049
  H      -6.695031      2.659593      7.309950
  H     -10.615428      1.111507      5.977740
  N      -2.349434      1.869018      3.394151
  N      -1.573663      1.750760      2.493935
  H      -0.577416      1.513256      2.691139
89
Coordinates from ORCA-job orca E -6723.964739321296
  N      -3.473368      0.081142      5.209387
  Mo     -3.555823      2.086418      4.825130
  N      -4.768366      2.455555      6.461271
  C      -4.082450      2.979924      7.633988
  C      -2.819140      2.168494      7.855198
  N      -2.083241      1.883370      6.557072
  C      -1.588327      0.460948      6.560662
  C      -2.778599     -0.459103      6.354121
  C      -0.958839      2.851898      6.333000
  C      -1.525328      4.214199      5.925061
  N      -2.683016      3.893107      5.130278
  H      -2.450658     -1.498179      6.193913
  H      -3.445193     -0.454380      7.232360
  H      -0.886317      0.360255      5.722466
  H      -1.054393      0.244741      7.499672
  H      -1.810267      4.835127      6.789189
  H      -0.790537      4.777864      5.329292
  H      -0.343921      2.918929      7.242412
  H      -0.342791      2.449412      5.518772
  H      -4.713610      2.935297      8.535630
  H      -3.837966      4.043147      7.469485
  H      -3.076486      1.201758      8.302999
  H      -2.138012      2.687377      8.545685
  C      -4.661602      5.067005     -1.121344
  C      -4.584826      4.172874      0.088977
  O      -3.964627      4.509793      1.096917
  C      -5.277588      2.849729      0.047118
  C      -6.283434      2.527841     -0.879572
  C      -6.912515      1.285997     -0.827587
  C      -6.532640      0.365353      0.146194
  F      -7.186023     -0.808145      0.178698
  C      -5.532718      0.649539      1.098410
  C      -5.146316     -0.308437      2.164682
  O      -5.356321     -1.516102      2.104888
  N      -4.532709      0.271175      3.300106
  C      -3.970515     -0.560733      4.159141
  C      -4.929810      1.906239      1.012401
  C      -8.047285      9.532471     -0.777047
  C      -7.513826      8.242910     -0.198461
  O      -7.774456      7.159816     -0.719854
  C      -6.656655      8.309480      1.027008
  C      -6.153281      9.523328      1.529880
  C      -5.346712      9.541148      2.663658
  C      -5.035338      8.338358      3.291457
  F      -4.281403      8.393934      4.406678
  C      -5.515410      7.103273      2.823572
  C      -5.216095      5.780657      3.433588
  O      -5.997879      4.842347      3.348714
  N      -3.959132      5.689378      4.110899
  C      -3.623530      4.499651      4.460845
  C      -6.338495      7.120318      1.690257
  C     -13.196572     -0.841113      3.176338
  C     -12.206275     -0.384516      4.225492
  O     -12.416028     -0.577895      5.420170
  C     -10.959945      0.312014      3.775843
  C     -10.558167      0.341341      2.427506
  C      -9.388849      0.995672      2.050499
  C      -8.614227      1.607208      3.033007
  F      -7.536584      2.307862      2.637157
  C      -8.967608      1.587695      4.392668
  C      -8.166547      2.222374      5.477413
  O      -8.737430      2.775394      6.418535
  N      -6.757139      2.098087      5.364329
  C      -6.115954      2.425029      6.455406
  C     -10.164482      0.947711      4.735090
  H      -5.672726      5.504258     -1.195049
  H      -3.939290      5.884527     -1.016257
  H      -4.477285      4.506533     -2.050110
  H      -6.587497      3.247376     -1.642244
  H      -7.700063      1.013689     -1.531757
  H      -3.935853     -1.655437      4.065694
  H      -4.141012      2.164579      1.713207
  H      -8.569863     10.126390     -0.011149
  H      -7.219145     10.153269     -1.157816
  H      -8.730722      9.304017     -1.602316
  H      -6.388778     10.467649      1.036130
  H      -4.957723     10.473253      3.076021
  H      -4.411785      3.660932      4.064582
  H      -6.737042      6.177263      1.316393
  H     -14.099810     -1.214707      3.671439
  H     -12.761781     -1.651279      2.567353
  H     -13.456033     -0.021901      2.488105
  H     -11.162987     -0.144263      1.659942
  H      -9.070332      1.052650      1.008249
  H      -6.642642      2.724984      7.376925
  H     -10.478534      0.932949      5.780159
  N      -2.311905      1.847536      3.487336
  N      -1.531402      1.717437      2.587448
  H      -0.539879      1.477418      2.779518
89
Coordinates from ORCA-job orca E -6723.971172362830
  N      -3.528964      0.059565      5.175720
  Mo     -3.614791      2.063365      4.790125
  N      -4.818435      2.412323      6.454218
  C      -4.123591      2.928622      7.621641
  C      -2.852766      2.119927      7.817768
  N      -2.135379      1.852138      6.508173
  C      -1.625807      0.433484      6.497347
  C      -2.814997     -0.496023      6.296238
  C      -1.021831      2.831475      6.282586
  C      -1.600479      4.195265      5.898933
  N      -2.761020      3.880848      5.103862
  H      -2.492443     -1.533290      6.117560
  H      -3.466582     -0.498292      7.185462
  H      -0.931994      0.345409      5.651677
  H      -1.079033      0.223404      7.429548
  H      -1.882948      4.802510      6.773113
  H      -0.871377      4.771470      5.308652
  H      -0.398040      2.891181      7.186335
  H      -0.411506      2.440424      5.459258
  H      -4.744463      2.868619      8.529437
  H      -3.887818      3.995050      7.466021
  H      -3.101042      1.147175      8.255531
  H      -2.157506      2.629138      8.500522
  C      -4.626219      5.350578     -0.943405
  C      -4.511447      4.397096      0.215854
  O      -3.799170      4.646381      1.188239
  C      -5.285822      3.122369      0.169341
  C      -6.332444      2.890092     -0.736875
  C      -7.026348      1.684799     -0.710056
  C      -6.672507      0.711963      0.219710
  F      -7.383047     -0.427894      0.226207
  C      -5.642773      0.911679      1.159026
  C      -5.291144     -0.108056      2.174010
  O      -5.547757     -1.300692      2.057582
  N      -4.623732      0.378885      3.323246
  C      -4.078428     -0.525383      4.126306
  C      -4.970589      2.133538      1.101203
  C      -7.650912      9.451582     -1.133643
  C      -7.188549      8.180452     -0.464459
  O      -7.405928      7.082573     -0.971192
  C      -6.448788      8.281542      0.831096
  C      -5.974330      9.503603      1.338908
  C      -5.263118      9.545232      2.533044
  C      -5.019060      8.358819      3.218139
  F      -4.353582      8.440525      4.386501
  C      -5.480984      7.117567      2.749845
  C      -5.249464      5.806908      3.410145
  O      -6.023069      4.868457      3.267853
  N      -4.021856      5.695694      4.118961
  C      -3.699103      4.496171      4.448223
  C      -6.208050      7.112099      1.555049
  C     -13.122047     -1.258215      3.361197
  C     -12.113174     -0.781888      4.380909
  O     -12.231305     -1.065671      5.568066
  C     -10.960148      0.048085      3.910701
  C     -10.651815      0.207225      2.549573
  C      -9.566271      0.982497      2.155918
  C      -8.778836      1.585605      3.131812
  F      -7.782662      2.399162      2.726050
  C      -9.042279      1.440193      4.502643
  C      -8.235551      2.067587      5.587666
  O      -8.792539      2.510728      6.590168
  N      -6.831078      2.039303      5.403865
  C      -6.160959      2.368661      6.478208
  C     -10.158306      0.680591      4.865122
  H      -5.612103      5.845057     -0.920261
  H      -3.851216      6.119432     -0.858590
  H      -4.545734      4.827309     -1.905909
  H      -6.612955      3.649357     -1.467049
  H      -7.843709      1.480331     -1.401114
  H      -4.094303     -1.613226      3.978783
  H      -4.156148      2.331456      1.794247
  H      -8.237607     10.074785     -0.443265
  H      -6.785599     10.053110     -1.453042
  H      -8.253505      9.198360     -2.011509
  H      -6.152703     10.433302      0.799241
  H      -4.894704     10.483055      2.947668
  H      -4.493604      3.665473      4.042636
  H      -6.585466      6.162997      1.175225
  H     -13.956297     -1.740475      3.880368
  H     -12.658649     -1.985453      2.676253
  H     -13.492389     -0.425973      2.745467
  H     -11.264653     -0.270966      1.785985
  H      -9.326041      1.140987      1.105876
  H      -6.665367      2.632240      7.422689
  H     -10.402351      0.566474      5.921657
  N      -2.334588      1.861343      3.448253
  N      -1.542609      1.761561      2.549654
  H      -0.557381      1.527720      2.754777
89
Coordinates from ORCA-job orca E -6723.975088019961
  N      -3.598709      0.037517      5.149216
  Mo     -3.677082      2.030394      4.720747
  N      -4.909789      2.389576      6.380507
  C      -4.229525      2.925015      7.544924
  C      -2.957560      2.122812      7.761211
  N      -2.231559      1.844090      6.461884
  C      -1.710087      0.427625      6.475783
  C      -2.894344     -0.514737      6.272232
  C      -1.122190      2.828845      6.241119
  C      -1.702604      4.186166      5.841603
  N      -2.849099      3.865333      5.026203
  H      -2.573623     -1.553563      6.102353
  H      -3.552052     -0.507521      7.156960
  H      -1.006911      0.334889      5.638880
  H      -1.170896      0.241248      7.416641
  H      -2.001401      4.797215      6.707383
  H      -0.964970      4.762621      5.262357
  H      -0.510029      2.898720      7.152167
  H      -0.498798      2.432958      5.430552
  H      -4.858365      2.867735      8.447284
  H      -4.000205      3.991461      7.380797
  H      -3.208759      1.154030      8.204675
  H      -2.262180      2.635711      8.440440
  C      -4.190577      5.397810     -1.057504
  C      -4.211018      4.487906      0.140237
  O      -3.581386      4.750096      1.164826
  C      -5.023157      3.239749      0.071478
  C      -5.986108      3.010709     -0.922505
  C      -6.718877      1.830348     -0.926141
  C      -6.481888      0.877141      0.057447
  F      -7.211991     -0.249487      0.019865
  C      -5.540160      1.074756      1.083817
  C      -5.304505      0.048480      2.122756
  O      -5.578891     -1.134597      1.969544
  N      -4.658271      0.472521      3.311137
  C      -4.174636     -0.495341      4.093368
  C      -4.828881      2.274592      1.061758
  C      -7.544644      9.672996     -1.150275
  C      -7.092750      8.377529     -0.525090
  O      -7.293198      7.300891     -1.081272
  C      -6.382593      8.423377      0.788706
  C      -5.920635      9.619489      1.363565
  C      -5.234726      9.603093      2.572623
  C      -5.004456      8.385683      3.206094
  F      -4.363705      8.412846      4.390448
  C      -5.455731      7.169203      2.668340
  C      -5.246233      5.826310      3.266433
  O      -6.016652      4.897920      3.053666
  N      -4.062658      5.689358      4.023605
  C      -3.768746      4.482239      4.353896
  C      -6.157313      7.222826      1.462026
  C     -13.247975     -1.567384      3.803209
  C     -12.187105     -1.045531      4.742743
  O     -12.209056     -1.318677      5.936890
  C     -11.100108     -0.182543      4.183064
  C     -10.900785     -0.019164      2.804506
  C      -9.870941      0.784782      2.330073
  C      -9.028888      1.415214      3.239512
  F      -8.075712      2.242019      2.757210
  C      -9.189025      1.272177      4.624230
  C      -8.336309      1.935900      5.651977
  O      -8.842988      2.361611      6.686183
  N      -6.948852      1.959676      5.379636
  C      -6.248161      2.333644      6.420297
  C     -10.249101      0.480383      5.071221
  H      -5.159616      5.917381     -1.148659
  H      -3.402575      6.146542     -0.929187
  H      -4.038457      4.836538     -1.987863
  H      -6.171436      3.754236     -1.696327
  H      -7.473035      1.628002     -1.685144
  H      -4.241552     -1.572607      3.899325
  H      -4.077490      2.475820      1.820578
  H      -8.149001     10.265054     -0.449294
  H      -6.675940     10.290153     -1.423765
  H      -8.125220      9.453816     -2.050990
  H      -6.088547     10.572672      0.865248
  H      -4.875815     10.518894      3.039285
  H      -4.562856      3.657140      3.934191
  H      -6.530435      6.293638      1.032178
  H     -14.023820     -2.072196      4.386129
  H     -12.809970     -2.284407      3.092905
  H     -13.691250     -0.756774      3.208808
  H     -11.553993     -0.518352      2.090826
  H      -9.717654      0.942914      1.266450
  H      -6.733342      2.594864      7.375339
  H     -10.411304      0.366122      6.142775
  N      -2.332287      1.843748      3.414226
  N      -1.510291      1.762140      2.539084
  H      -0.531665      1.538452      2.782887
89
Coordinates from ORCA-job orca E -6723.978064106141
  N      -3.602118     -0.006761      5.225119
  Mo     -3.671502      1.966834      4.709078
  N      -4.883461      2.384633      6.373168
  C      -4.180393      2.954151      7.510921
  C      -2.905880      2.156141      7.733891
  N      -2.203191      1.835754      6.430137
  C      -1.674790      0.420115      6.479664
  C      -2.861268     -0.531118      6.336919
  C      -1.097864      2.814873      6.158007
  C      -1.686249      4.159128      5.728520
  N      -2.846182      3.816087      4.939614
  H      -2.549041     -1.575598      6.187808
  H      -3.490258     -0.495027      7.241919
  H      -0.990982      0.301132      5.629789
  H      -1.113447      0.268607      7.413770
  H      -1.972233      4.794728      6.580813
  H      -0.957103      4.719884      5.123066
  H      -0.467393      2.912880      7.054172
  H      -0.488945      2.394751      5.348416
  H      -4.795409      2.926048      8.423896
  H      -3.950573      4.014385      7.311476
  H      -3.154749      1.202541      8.211357
  H      -2.196886      2.686383      8.385347
  C      -4.084524      5.411869     -0.872512
  C      -4.098448      4.475278      0.304933
  O      -3.358695      4.642696      1.275072
  C      -5.043817      3.320308      0.287510
  C      -6.095977      3.207406     -0.634471
  C      -6.946225      2.107414     -0.595376
  C      -6.734074      1.114894      0.355000
  F      -7.574527      0.067440      0.357655
  C      -5.701227      1.198455      1.309545
  C      -5.476148      0.127466      2.304391
  O      -5.871740     -1.022929      2.160334
  N      -4.729322      0.477694      3.458690
  C      -4.260584     -0.525600      4.211867
  C      -4.878597      2.323289      1.250871
  C      -7.589206      9.612469     -1.242217
  C      -7.123031      8.316013     -0.628996
  O      -7.315849      7.240955     -1.193853
  C      -6.406400      8.358383      0.682625
  C      -5.948529      9.553916      1.263472
  C      -5.253152      9.532919      2.467906
  C      -5.009451      8.312213      3.091244
  F      -4.357982      8.335338      4.270019
  C      -5.456475      7.096184      2.548054
  C      -5.233211      5.748893      3.134478
  O      -6.002939      4.818835      2.918195
  N      -4.057695      5.622337      3.903237
  C      -3.772800      4.419656      4.261520
  C      -6.168822      7.154409      1.347412
  C     -13.108312     -1.662916      3.587088
  C     -12.062248     -1.174124      4.561237
  O     -12.057881     -1.550100      5.728520
  C     -11.021700     -0.216028      4.069296
  C     -10.852055      0.082288      2.708181
  C      -9.864204      0.970625      2.296848
  C      -9.033896      1.549528      3.250275
  F      -8.125652      2.458038      2.834755
  C      -9.164096      1.273135      4.618094
  C      -8.320250      1.879202      5.690179
  O      -8.832328      2.225672      6.752834
  N      -6.936599      1.945792      5.404270
  C      -6.221876      2.332338      6.431949
  C     -10.184201      0.399776      5.004756
  H      -5.001016      6.027687     -0.873295
  H      -3.215325      6.073874     -0.797994
  H      -4.067491      4.863936     -1.824068
  H      -6.261824      3.981773     -1.383096
  H      -7.773225      1.997877     -1.296416
  H      -4.406159     -1.596113      4.024480
  H      -4.055697      2.436497      1.951565
  H      -8.196620     10.193759     -0.533622
  H      -6.726428     10.240199     -1.513875
  H      -8.171449      9.395366     -2.143225
  H      -6.126807     10.510394      0.772894
  H      -4.896342     10.448282      2.939060
  H      -4.576501      3.592889      3.878677
  H      -6.541969      6.225925      0.915827
  H     -13.852987     -2.253757      4.129699
  H     -12.644506     -2.293571      2.812796
  H     -13.597031     -0.825557      3.068837
  H     -11.496203     -0.376716      1.958712
  H      -9.736524      1.233321      1.248692
  H      -6.695248      2.611625      7.388154
  H     -10.323976      0.181060      6.063791
  N      -2.337574      1.747716      3.400442
  N      -1.527894      1.650586      2.522648
  H      -0.544229      1.423455      2.766088
89
Coordinates from ORCA-job orca E -6723.980516254895
  N      -3.579640      0.030085      5.249560
  Mo     -3.650343      2.018966      4.746212
  N      -4.855448      2.406570      6.421600
  C      -4.135151      2.966275      7.559609
  C      -2.853257      2.172496      7.762915
  N      -2.162354      1.873914      6.446828
  C      -1.617179      0.465451      6.465906
  C      -2.792742     -0.497148      6.331502
  C      -1.066287      2.866562      6.176042
  C      -1.672842      4.213086      5.781141
  N      -2.839486      3.872315      5.001403
  H      -2.470498     -1.534682      6.157787
  H      -3.396065     -0.483742      7.254668
  H      -0.946185      0.364950      5.602938
  H      -1.040082      0.305222      7.389092
  H      -1.955194      4.827781      6.649776
  H      -0.956653      4.795398      5.179890
  H      -0.420900      2.954470      7.062798
  H      -0.466160      2.467650      5.348961
  H      -4.740179      2.923518      8.478355
  H      -3.911276      4.029598      7.371501
  H      -3.097533      1.212659      8.231990
  H      -2.143104      2.698478      8.416856
  C      -4.258174      5.135935     -1.120076
  C      -4.226760      4.247432      0.095227
  O      -3.427629      4.438234      1.012719
  C      -5.202579      3.117462      0.183899
  C      -6.296494      2.978155     -0.685784
  C      -7.171971      1.904130     -0.546654
  C      -6.942472      0.961260      0.449896
  F      -7.806174     -0.062083      0.545201
  C      -5.865917      1.073796      1.356308
  C      -5.611503      0.049869      2.397983
  O      -6.036090     -1.099459      2.337816
  N      -4.812814      0.452952      3.498552
  C      -4.300157     -0.508985      4.280490
  C      -5.020461      2.172481      1.196328
  C      -7.437751      9.710504     -1.222914
  C      -6.971495      8.414198     -0.607824
  O      -7.093441      7.344869     -1.204960
  C      -6.338283      8.451446      0.748680
  C      -5.947288      9.646540      1.378898
  C      -5.317518      9.617389      2.620126
  C      -5.071596      8.390327      3.231544
  F      -4.480694      8.405633      4.442270
  C      -5.456082      7.174211      2.641213
  C      -5.220884      5.818120      3.207188
  O      -5.941040      4.868887      2.902286
  N      -4.067729      5.696453      4.009347
  C      -3.778074      4.485103      4.341866
  C      -6.106628      7.239924      1.404534
  C     -12.987832     -1.661768      3.372339
  C     -11.970859     -1.202820      4.392144
  O     -11.976118     -1.642543      5.538661
  C     -10.945349     -0.193885      3.970156
  C     -10.769775      0.193682      2.629914
  C      -9.793665      1.124031      2.284528
  C      -8.984176      1.655762      3.282539
  F      -8.080082      2.592917      2.930912
  C      -9.122805      1.297125      4.630758
  C      -8.301283      1.861482      5.745226
  O      -8.832526      2.130640      6.824677
  N      -6.919566      1.967124      5.467080
  C      -6.193769      2.340126      6.494033
  C     -10.129054      0.379678      4.952349
  H      -5.161634      5.770190     -1.099666
  H      -3.373263      5.782162     -1.120991
  H      -4.301891      4.547805     -2.048530
  H      -6.478416      3.714929     -1.469598
  H      -8.033130      1.777884     -1.203913
  H      -4.464248     -1.583924      4.134911
  H      -4.163954      2.304415      1.852379
  H      -8.107304     10.256720     -0.541045
  H      -6.577390     10.369289     -1.424927
  H      -7.955094      9.498257     -2.165014
  H      -6.124230     10.609758      0.897689
  H      -5.011340     10.532708      3.128474
  H      -4.576063      3.670776      3.956920
  H      -6.431014      6.310980      0.935881
  H     -13.726984     -2.301966      3.866410
  H     -12.493073     -2.235620      2.571698
  H     -13.489883     -0.807318      2.893944
  H     -11.397846     -0.229637      1.844675
  H      -9.658208      1.453221      1.252654
  H      -6.662623      2.603606      7.457721
  H     -10.275269      0.094012      5.995276
  N      -2.328482      1.832799      3.421576
  N      -1.531233      1.762956      2.538712
  H      -0.542000      1.522274      2.776480
89
Coordinates from ORCA-job orca E -6723.982825493364
  N      -3.486693      0.017485      5.185598
  Mo     -3.604750      2.009225      4.714231
  N      -4.864496      2.314592      6.374217
  C      -4.184208      2.875535      7.534752
  C      -2.882753      2.118627      7.747739
  N      -2.155835      1.876238      6.441151
  C      -1.557235      0.488805      6.436025
  C      -2.690864     -0.517589      6.255795
  C      -1.092284      2.916177      6.218914
  C      -1.740332      4.249963      5.848680
  N      -2.876671      3.889702      5.032757
  H      -2.324304     -1.533875      6.048528
  H      -3.302564     -0.563140      7.172623
  H      -0.868679      0.437243      5.582909
  H      -0.989457      0.329405      7.364871
  H      -2.065026      4.828012      6.727588
  H      -1.033148      4.876298      5.282181
  H      -0.467032      3.002188      7.120017
  H      -0.462486      2.561721      5.393965
  H      -4.805085      2.791209      8.440116
  H      -3.994045      3.949491      7.373708
  H      -3.106380      1.140302      8.187478
  H      -2.202637      2.649636      8.428602
  C      -4.146966      5.246611     -1.149459
  C      -4.118805      4.350217      0.060317
  O      -3.346253      4.556268      0.996586
  C      -5.059963      3.190315      0.115601
  C      -6.101696      3.008506     -0.806901
  C      -6.938503      1.900841     -0.710644
  C      -6.725240      0.971334      0.300762
  F      -7.533875     -0.098705      0.339197
  C      -5.711813      1.132409      1.269693
  C      -5.479430      0.109046      2.316909
  O      -5.872360     -1.048211      2.225720
  N      -4.710670      0.496699      3.445564
  C      -4.212962     -0.491477      4.207773
  C      -4.896825      2.258017      1.144159
  C      -7.365403      9.644107     -1.305223
  C      -6.894265      8.362238     -0.665170
  O      -6.954120      7.289943     -1.264912
  C      -6.333036      8.416989      0.721277
  C      -6.002561      9.620197      1.369674
  C      -5.429003      9.604184      2.637861
  C      -5.178233      8.382699      3.258204
  F      -4.639290      8.410576      4.492494
  C      -5.506902      7.159011      2.650590
  C      -5.258219      5.805008      3.214682
  O      -5.940798      4.841652      2.869989
  N      -4.135458      5.703750      4.059731
  C      -3.817422      4.490970      4.365416
  C      -6.103240      7.211629      1.386937
  C     -13.264255     -1.556351      3.598000
  C     -12.170758     -1.169247      4.566633
  O     -12.131741     -1.636794      5.700771
  C     -11.124921     -0.198437      4.109434
  C     -11.016814      0.226754      2.774483
  C     -10.015909      1.115438      2.394466
  C      -9.114785      1.568613      3.351593
  F      -8.164082      2.444714      2.963890
  C      -9.195419      1.183447      4.696043
  C      -8.303133      1.695521      5.779862
  O      -8.777770      1.949217      6.887873
  N      -6.937683      1.814941      5.437438
  C      -6.199526      2.201077      6.449300
  C     -10.222348      0.303968      5.053339
  H      -5.072999      5.847251     -1.153321
  H      -3.286582      5.923757     -1.119634
  H      -4.141146      4.665117     -2.082608
  H      -6.269179      3.734095     -1.603757
  H      -7.753895      1.735731     -1.415174
  H      -4.385090     -1.559487      4.026763
  H      -4.077902      2.424935      1.839387
  H      -8.084664     10.170302     -0.659844
  H      -6.515608     10.327499     -1.462478
  H      -7.826313      9.417385     -2.272433
  H      -6.181252     10.579084      0.881757
  H      -5.168915     10.525454      3.159923
  H      -4.577729      3.668539      3.938154
  H      -6.382738      6.275744      0.903152
  H     -14.001352     -2.176466      4.119184
  H     -12.843202     -2.129312      2.756237
  H     -13.754286     -0.668986      3.170745
  H     -11.714503     -0.137501      2.019840
  H      -9.927072      1.467233      1.366700
  H      -6.663678      2.442601      7.421311
  H     -10.322387     -0.002188      6.095506
  N      -2.240790      1.906128      3.425345
  N      -1.415925      1.894531      2.559102
  H      -0.431060      1.666109      2.812269
89
Coordinates from ORCA-job orca E -6723.985421332864
  N      -3.499197     -0.000269      5.212683
  Mo     -3.606295      1.982407      4.706079
  N      -4.868580      2.311513      6.361952
  C      -4.180055      2.882453      7.512960
  C      -2.878894      2.123581      7.727865
  N      -2.153515      1.868680      6.422598
  C      -1.551640      0.482288      6.426201
  C      -2.680052     -0.534546      6.265208
  C      -1.090294      2.907220      6.184211
  C      -1.738024      4.237645      5.802693
  N      -2.879589      3.869808      4.996695
  H      -2.305159     -1.544901      6.044737
  H      -3.272833     -0.595207      7.194098
  H      -0.870713      0.426788      5.567401
  H      -0.974417      0.332857      7.350814
  H      -2.059360      4.823380      6.677710
  H      -1.033051      4.859169      5.228369
  H      -0.458541      3.000815      7.079997
  H      -0.466213      2.544234      5.358754
  H      -4.796714      2.808408      8.422172
  H      -3.989295      3.954245      7.340298
  H      -3.105056      1.149410      8.175162
  H      -2.196931      2.657690      8.404318
  C      -4.064767      5.279963     -1.033053
  C      -4.057000      4.370380      0.166844
  O      -3.258160      4.530431      1.090347
  C      -5.051076      3.255762      0.228496
  C      -6.112524      3.126790     -0.679583
  C      -7.001031      2.060947     -0.572986
  C      -6.818173      1.117894      0.431951
  F      -7.678250      0.089585      0.481059
  C      -5.783322      1.226056      1.385279
  C      -5.576180      0.184619      2.419666
  O      -6.026474     -0.951017      2.333522
  N      -4.752240      0.524940      3.523754
  C      -4.281915     -0.487251      4.272183
  C      -4.917646      2.311497      1.249882
  C      -7.408048      9.593221     -1.354536
  C      -6.953984      8.311951     -0.701716
  O      -7.068231      7.229167     -1.273285
  C      -6.344521      8.380169      0.663386
  C      -5.956752      9.586978      1.271873
  C      -5.341722      9.582190      2.520152
  C      -5.106110      8.368252      3.160275
  F      -4.526560      8.407491      4.375444
  C      -5.490602      7.141505      2.593158
  C      -5.261069      5.793768      3.180236
  O      -5.981435      4.844141      2.877567
  N      -4.127952      5.685257      4.011364
  C      -3.819129      4.469831      4.325124
  C      -6.126802      7.183534      1.348655
  C     -13.176682     -1.659192      3.508426
  C     -12.088438     -1.273640      4.483501
  O     -12.015441     -1.795229      5.591750
  C     -11.090254     -0.238184      4.065144
  C     -11.028439      0.270835      2.757343
  C     -10.068367      1.216365      2.411685
  C      -9.160180      1.642450      3.374892
  F      -8.248102      2.571706      3.017178
  C      -9.198397      1.175902      4.695901
  C      -8.304298      1.657264      5.792668
  O      -8.760942      1.797229      6.927687
  N      -6.944907      1.803011      5.443835
  C      -6.202302      2.197311      6.448445
  C     -10.185893      0.240313      5.019180
  H      -4.970152      5.911513     -1.025531
  H      -3.180816      5.925922     -1.004058
  H      -4.085524      4.708398     -1.971858
  H      -6.258529      3.863856     -1.469892
  H      -7.834898      1.939139     -1.264350
  H      -4.517042     -1.545458      4.103445
  H      -4.079305      2.436018      1.930216
  H      -8.088297     10.154723     -0.697076
  H      -6.543808     10.246068     -1.555103
  H      -7.908225      9.360712     -2.300364
  H      -6.124906     10.539567      0.768817
  H      -5.038328     10.506632      3.011897
  H      -4.584997      3.654487      3.911853
  H      -6.452020      6.245831      0.897897
  H     -13.877712     -2.338932      4.003967
  H     -12.741797     -2.166796      2.632725
  H     -13.712388     -0.774093      3.135099
  H     -11.730479     -0.071333      1.996850
  H     -10.015801      1.632070      1.406468
  H      -6.661455      2.448087      7.420819
  H     -10.251929     -0.131482      6.042359
  N      -2.259919      1.850776      3.400733
  N      -1.445855      1.828048      2.519846
  H      -0.464772      1.576866      2.758094
89
Coordinates from ORCA-job orca E -6723.987355414539
  N      -3.431089     -0.018409      5.274860
  Mo     -3.556367      1.957907      4.728279
  N      -4.814161      2.305171      6.383187
  C      -4.110938      2.901069      7.515089
  C      -2.798391      2.158444      7.726170
  N      -2.080351      1.891259      6.419989
  C      -1.462297      0.514952      6.436261
  C      -2.571803     -0.527991      6.309851
  C      -1.030528      2.937475      6.149665
  C      -1.696941      4.254873      5.753667
  N      -2.847251      3.858311      4.974510
  H      -2.169007     -1.525337      6.079385
  H      -3.137822     -0.610355      7.254175
  H      -0.795255      0.457601      5.566779
  H      -0.867792      0.383107      7.352716
  H      -2.012848      4.849872      6.624572
  H      -1.008475      4.876448      5.160048
  H      -0.384819      3.051758      7.033045
  H      -0.416246      2.568570      5.319258
  H      -4.713095      2.836594      8.434640
  H      -3.933887      3.971351      7.321238
  H      -3.012947      1.189074      8.189908
  H      -2.119752      2.710346      8.391801
  C      -4.161822      5.248703     -0.844304
  C      -4.133108      4.315357      0.336565
  O      -3.313930      4.456746      1.246372
  C      -5.132584      3.203294      0.393757
  C      -6.212597      3.092851     -0.494943
  C      -7.108297      2.032405     -0.382311
  C      -6.915478      1.074699      0.607840
  F      -7.787567      0.057455      0.666060
  C      -5.858091      1.161327      1.538535
  C      -5.628287      0.111746      2.562965
  O      -6.105881     -1.014188      2.504535
  N      -4.752176      0.453687      3.621548
  C      -4.260100     -0.531887      4.389244
  C      -4.985904      2.241136      1.395654
  C      -7.623297      9.445834     -1.338744
  C      -7.166651      8.174903     -0.667760
  O      -7.354801      7.075401     -1.184906
  C      -6.460555      8.276135      0.648719
  C      -5.992124      9.492254      1.176669
  C      -5.292869      9.516718      2.379354
  C      -5.053139      8.322830      3.054130
  F      -4.391192      8.391107      4.224916
  C      -5.515270      7.087728      2.568520
  C      -5.286441      5.758580      3.198565
  O      -6.062552      4.825577      2.993120
  N      -4.117523      5.655982      3.981832
  C      -3.801748      4.441549      4.305105
  C      -6.233664      7.100714      1.368225
  C     -13.122916     -1.425466      3.125500
  C     -12.054675     -1.151323      4.158830
  O     -12.017765     -1.775472      5.214723
  C     -11.030710     -0.098560      3.863319
  C     -10.937370      0.541249      2.615663
  C      -9.952035      1.495590      2.383323
  C      -9.050946      1.798747      3.398627
  F      -8.109483      2.734030      3.145730
  C      -9.121876      1.202260      4.665564
  C      -8.235040      1.552631      5.817918
  O      -8.706102      1.606317      6.955666
  N      -6.882278      1.752697      5.489490
  C      -6.143990      2.173590      6.486687
  C     -10.134090      0.260564      4.875439
  H      -5.074732      5.868653     -0.819500
  H      -3.283907      5.902795     -0.811707
  H      -4.183615      4.693991     -1.793457
  H      -6.371713      3.842688     -1.270800
  H      -7.958352      1.927825     -1.056749
  H      -4.522525     -1.591371      4.271875
  H      -4.131189      2.348231      2.057791
  H      -8.237613     10.053503     -0.657841
  H      -6.753394     10.059099     -1.622579
  H      -8.195178      9.197507     -2.238862
  H      -6.164633     10.429377      0.646647
  H      -4.927269     10.449622      2.809128
  H      -4.564934      3.626352      3.923140
  H      -6.620626      6.157135      0.983302
  H     -13.844766     -2.139817      3.535137
  H     -12.671445     -1.851869      2.215549
  H     -13.638676     -0.500370      2.828719
  H     -11.633627      0.295878      1.813492
  H      -9.872038      2.010895      1.426710
  H      -6.604134      2.434515      7.456234
  H     -10.224827     -0.212737      5.853777
  N      -2.248486      1.791234      3.381767
  N      -1.462619      1.753967      2.476121
  H      -0.478401      1.497792      2.695796
89
Coordinates from ORCA-job orca E -6723.989598027320
  N      -3.407143     -0.003302      5.284384
  Mo     -3.536571      1.970419      4.736510
  N      -4.810069      2.302272      6.381778
  C      -4.111294      2.899724      7.516687
  C      -2.795785      2.162641      7.728470
  N      -2.068055      1.906736      6.425508
  C      -1.437871      0.536232      6.437948
  C      -2.534302     -0.518772      6.305180
  C      -1.023969      2.961545      6.164498
  C      -1.697421      4.276693      5.775341
  N      -2.843610      3.877551      4.991080
  H      -2.115602     -1.504328      6.052209
  H      -3.089553     -0.629021      7.252886
  H      -0.768592      0.490085      5.569613
  H      -0.843572      0.404638      7.354675
  H      -2.020123      4.863135      6.649851
  H      -1.011628      4.907460      5.188664
  H      -0.380725      3.072245      7.050124
  H      -0.406627      2.601406      5.332248
  H      -4.713812      2.828053      8.435561
  H      -3.940983      3.971711      7.326102
  H      -3.007919      1.188436      8.183501
  H      -2.124148      2.713369      8.402416
  C      -4.216778      5.168383     -0.928064
  C      -4.174925      4.268840      0.278413
  O      -3.329326      4.420490      1.162103
  C      -5.196342      3.181665      0.392891
  C      -6.307859      3.077036     -0.456937
  C      -7.224684      2.042526     -0.288192
  C      -7.022895      1.103943      0.718538
  F      -7.919523      0.113793      0.832722
  C      -5.930744      1.183490      1.609383
  C      -5.692548      0.152341      2.649710
  O      -6.220303     -0.952012      2.648915
  N      -4.758536      0.485987      3.660472
  C      -4.277015     -0.502753      4.431009
  C      -5.038322      2.237150      1.409529
  C      -7.569097      9.448106     -1.365529
  C      -7.124707      8.181159     -0.678509
  O      -7.320843      7.077337     -1.183422
  C      -6.418999      8.291376      0.637086
  C      -5.935817      9.508841      1.148379
  C      -5.236159      9.541113      2.350491
  C      -5.010569      8.353414      3.040990
  F      -4.347445      8.430003      4.210319
  C      -5.487902      7.117203      2.572628
  C      -5.275704      5.793071      3.220104
  O      -6.051701      4.861665      3.010364
  N      -4.106612      5.684878      4.003472
  C      -3.794897      4.466347      4.318499
  C      -6.206484      7.122998      1.372260
  C     -13.066252     -1.459599      2.997029
  C     -11.994327     -1.232731      4.038053
  O     -11.928114     -1.934825      5.042443
  C     -11.004504     -0.131345      3.814571
  C     -10.954607      0.613118      2.623297
  C      -9.998810      1.609541      2.452697
  C      -9.084465      1.849450      3.473051
  F      -8.169100      2.822326      3.281173
  C      -9.113393      1.149307      4.687170
  C      -8.208302      1.433095      5.843611
  O      -8.641165      1.345269      6.994719
  N      -6.873183      1.705914      5.500938
  C      -6.137793      2.145381      6.492244
  C     -10.096175      0.166001      4.836545
  H      -5.126271      5.792213     -0.910457
  H      -3.334698      5.817468     -0.927774
  H      -4.254631      4.585743     -1.860099
  H      -6.476531      3.812748     -1.244177
  H      -8.099811      1.944010     -0.930598
  H      -4.583249     -1.552769      4.339990
  H      -4.154756      2.335520      2.034580
  H      -8.179672     10.068464     -0.692829
  H      -6.693486     10.050989     -1.654141
  H      -8.140966      9.194737     -2.264180
  H      -6.097119     10.440801      0.605969
  H      -4.859377     10.475244      2.767603
  H      -4.557591      3.661127      3.931436
  H      -6.605540      6.179119      1.000869
  H     -13.759792     -2.227337      3.355686
  H     -12.612665     -1.797102      2.051618
  H     -13.615374     -0.531530      2.780270
  H     -11.661956      0.417174      1.817332
  H      -9.950122      2.205359      1.540991
  H      -6.595898      2.393946      7.465779
  H     -10.153673     -0.389805      5.773052
  N      -2.240630      1.802159      3.393396
  N      -1.460444      1.770588      2.481999
  H      -0.477137      1.505396      2.691808
89
Coordinates from ORCA-job orca E -6723.991620864471
  N      -3.329424      0.015531      5.255453
  Mo     -3.483722      1.990930      4.722598
  N      -4.813031      2.271129      6.335263
  C      -4.151264      2.872147      7.491202
  C      -2.826454      2.160524      7.725873
  N      -2.057323      1.938173      6.441843
  C      -1.396336      0.583800      6.455258
  C      -2.461171     -0.497105      6.281973
  C      -1.030076      3.018127      6.222988
  C      -1.721850      4.323478      5.835509
  N      -2.839242      3.910822      5.017526
  H      -2.003961     -1.460766      6.010923
  H      -3.027477     -0.649698      7.216605
  H      -0.704158      0.564126      5.604054
  H      -0.822253      0.453580      7.385082
  H      -2.079004      4.889585      6.710229
  H      -1.035710      4.977666      5.275733
  H      -0.412177      3.127478      7.126606
  H      -0.385463      2.683041      5.400799
  H      -4.770053      2.775106      8.396960
  H      -4.002104      3.949970      7.315967
  H      -3.029960      1.174862      8.160073
  H      -2.185985      2.715068      8.426775
  C      -4.267295      5.126287     -0.988989
  C      -4.206057      4.245744      0.230592
  O      -3.348913      4.411796      1.099906
  C      -5.220558      3.156376      0.372025
  C      -6.345042      3.039271     -0.459366
  C      -7.253905      2.002663     -0.265995
  C      -7.034786      1.075848      0.748354
  F      -7.925518      0.084229      0.885474
  C      -5.929813      1.168540      1.621928
  C      -5.675317      0.154777      2.674388
  O      -6.207010     -0.946944      2.704755
  N      -4.700402      0.494125      3.642790
  C      -4.203863     -0.488720      4.409433
  C      -5.043270      2.221659      1.394534
  C      -7.506031      9.463510     -1.392749
  C      -7.065517      8.200081     -0.696480
  O      -7.260277      7.093565     -1.196071
  C      -6.368294      8.316193      0.622868
  C      -5.883834      9.534923      1.129649
  C      -5.191313      9.571710      2.335783
  C      -4.974781      8.387205      3.034880
  F      -4.317985      8.469319      4.207253
  C      -5.454349      7.149875      2.571052
  C      -5.252089      5.827310      3.225795
  O      -6.029674      4.897763      3.016813
  N      -4.095430      5.720067      4.025862
  C      -3.779478      4.498960      4.326933
  C      -6.165085      7.151657      1.366122
  C     -13.162780     -1.424492      2.993956
  C     -12.052796     -1.268958      4.007600
  O     -11.954183     -2.036565      4.959967
  C     -11.066079     -0.158380      3.820452
  C     -11.065906      0.669050      2.683990
  C     -10.110550      1.669686      2.539343
  C      -9.150409      1.831932      3.532233
  F      -8.228263      2.800500      3.363113
  C      -9.130401      1.050620      4.695244
  C      -8.172797      1.259622      5.824601
  O      -8.533100      1.036110      6.982793
  N      -6.864650      1.600997      5.453785
  C      -6.136480      2.067818      6.437793
  C     -10.109909      0.060870      4.818454
  H      -5.188182      5.732348     -0.980409
  H      -3.396698      5.790298     -1.001937
  H      -4.296302      4.526617     -1.910877
  H      -6.528715      3.764859     -1.252494
  H      -8.137179      1.892845     -0.895116
  H      -4.519852     -1.536986      4.334871
  H      -4.146571      2.326256      2.001014
  H      -8.120509     10.087039     -0.726641
  H      -6.629087     10.065269     -1.679651
  H      -8.072771      9.205581     -2.293311
  H      -6.038098     10.464205      0.580736
  H      -4.813221     10.506840      2.749279
  H      -4.523151      3.696949      3.910170
  H      -6.564296      6.206746      0.997643
  H     -13.843583     -2.216159      3.323641
  H     -12.744250     -1.693858      2.011515
  H     -13.718501     -0.484345      2.863759
  H     -11.810293      0.532829      1.899481
  H     -10.092459      2.325516      1.667745
  H      -6.600726      2.301125      7.411917
  H     -10.128557     -0.559439      5.715219
  N      -2.164386      1.848112      3.407235
  N      -1.370080      1.836069      2.507193
  H      -0.387830      1.579596      2.731387
89
Coordinates from ORCA-job orca E -6723.993180285341
  N      -3.241027      0.014674      5.257673
  Mo     -3.437787      1.985429      4.726689
  N      -4.794562      2.226662      6.323943
  C      -4.154197      2.840171      7.486355
  C      -2.814886      2.158181      7.728964
  N      -2.025131      1.961023      6.453211
  C      -1.330148      0.624448      6.470605
  C      -2.363412     -0.485268      6.282092
  C      -1.021792      3.065794      6.248447
  C      -1.740941      4.356022      5.861416
  N      -2.841732      3.920675      5.032313
  H      -1.871767     -1.427665      5.996374
  H      -2.926914     -0.671498      7.211756
  H      -0.628649      0.625288      5.626963
  H      -0.762302      0.506052      7.405851
  H      -2.118487      4.908558      6.736164
  H      -1.066147      5.029473      5.310848
  H      -0.414036      3.183404      7.157943
  H      -0.364172      2.749417      5.429174
  H      -4.774572      2.725131      8.388949
  H      -4.030126      3.921881      7.315324
  H      -3.000266      1.164821      8.153667
  H      -2.195568      2.722255      8.441238
  C      -4.322819      5.099214     -0.976501
  C      -4.240214      4.230815      0.250344
  O      -3.368062      4.401620      1.103032
  C      -5.252909      3.145670      0.421228
  C      -6.401598      3.031540     -0.377088
  C      -7.307089      1.998333     -0.155387
  C      -7.062629      1.072991      0.854634
  F      -7.951475      0.084129      1.018661
  C      -5.932257      1.162587      1.694731
  C      -5.651079      0.152220      2.742436
  O      -6.198795     -0.939758      2.805103
  N      -4.632091      0.484347      3.665934
  C      -4.127491     -0.496273      4.429943
  C      -5.048298      2.210998      1.438344
  C      -7.550723      9.357697     -1.428340
  C      -7.109299      8.109616     -0.705779
  O      -7.316226      6.992294     -1.175578
  C      -6.396026      8.253560      0.601799
  C      -5.895396      9.480338      1.071562
  C      -5.188944      9.541505      2.268523
  C      -4.974816      8.373334      2.995462
  F      -4.303579      8.480677      4.157446
  C      -5.470240      7.128924      2.568562
  C      -5.273951      5.820603      3.253321
  O      -6.052837      4.888421      3.062657
  N      -4.111606      5.720779      4.043521
  C      -3.783558      4.500431      4.335759
  C      -6.194409      7.106949      1.372151
  C     -13.206396     -1.246711      2.842799
  C     -12.074257     -1.203809      3.842546
  O     -11.967823     -2.061813      4.713066
  C     -11.075947     -0.092458      3.743476
  C     -11.096565      0.849172      2.700308
  C     -10.130589      1.847348      2.630760
  C      -9.139457      1.893102      3.605192
  F      -8.204384      2.859975      3.504918
  C      -9.098230      0.993723      4.680141
  C      -8.104667      1.073579      5.794200
  O      -8.415360      0.702296      6.929101
  N      -6.820562      1.492700      5.436761
  C      -6.109883      1.977587      6.423979
  C     -10.087788      0.008270      4.728778
  H      -5.252056      5.692284     -0.969003
  H      -3.460714      5.773567     -1.003434
  H      -4.350158      4.487882     -1.890843
  H      -6.605570      3.755478     -1.166503
  H      -8.207873      1.889366     -0.759145
  H      -4.451937     -1.542933      4.372114
  H      -4.129956      2.309314      2.014233
  H      -8.154318     10.000833     -0.771199
  H      -6.674349      9.947506     -1.740178
  H      -8.128954      9.080466     -2.315649
  H      -6.047695     10.396520      0.500823
  H      -4.797819     10.483273      2.653430
  H      -4.514310      3.695889      3.908767
  H      -6.605615      6.156504      1.032668
  H     -13.888117     -2.062095      3.105417
  H     -12.810690     -1.417619      1.829579
  H     -13.755213     -0.293940      2.821399
  H     -11.866199      0.804996      1.929897
  H     -10.125357      2.589206      1.831547
  H      -6.583622      2.196877      7.396548
  H     -10.088718     -0.702889      5.555505
  N      -2.116560      1.861136      3.413292
  N      -1.324422      1.860203      2.508672
  H      -0.338513      1.619208      2.732128
89
Coordinates from ORCA-job orca E -6723.994501472910
  N      -3.179381      0.022625      5.253573
  Mo     -3.399180      1.991053      4.718150
  N      -4.795238      2.213498      6.285260
  C      -4.182240      2.836854      7.458002
  C      -2.838186      2.172285      7.725974
  N      -2.015871      1.988063      6.468599
  C      -1.300352      0.663653      6.503197
  C      -2.309070     -0.465185      6.290073
  C      -1.023478      3.105435      6.283723
  C      -1.752271      4.385338      5.883004
  N      -2.830740      3.933701      5.033423
  H      -1.788264     -1.390846      6.000891
  H      -2.883184     -0.675510      7.207393
  H      -0.579576      0.674839      5.676157
  H      -0.751802      0.555555      7.451122
  H      -2.153099      4.932658      6.750371
  H      -1.076739      5.067735      5.344430
  H      -0.434648      3.229470      7.204857
  H      -0.348398      2.796672      5.476070
  H      -4.813565      2.713609      8.351949
  H      -4.070792      3.920135      7.288294
  H      -3.019736      1.175119      8.143241
  H      -2.243017      2.742117      8.454032
  C      -4.407062      5.078385     -0.941256
  C      -4.297415      4.206406      0.280692
  O      -3.400087      4.362527      1.109060
  C      -5.312242      3.128639      0.478200
  C      -6.494755      3.034193     -0.272689
  C      -7.398835      2.005837     -0.025176
  C      -7.121646      1.066945      0.964021
  F      -8.012326      0.084371      1.155505
  C      -5.956412      1.137028      1.755597
  C      -5.641579      0.122527      2.788525
  O      -6.200317     -0.961375      2.882805
  N      -4.584656      0.456514      3.665549
  C      -4.072713     -0.506784      4.444576
  C      -5.073151      2.179783      1.473865
  C      -7.560679      9.362635     -1.429464
  C      -7.129594      8.116093     -0.698594
  O      -7.380874      6.996863     -1.142027
  C      -6.372607      8.262594      0.583600
  C      -5.824084      9.482579      1.015836
  C      -5.082094      9.544438      2.191131
  C      -4.880845      8.383914      2.934092
  F      -4.174048      8.493848      4.074535
  C      -5.422738      7.146971      2.543976
  C      -5.244986      5.845685      3.246831
  O      -6.059032      4.935123      3.103061
  N      -4.080738      5.735978      4.029320
  C      -3.759350      4.513555      4.319717
  C      -6.180726      7.124803      1.368973
  C     -13.226377     -1.218965      2.774665
  C     -12.074058     -1.218450      3.752150
  O     -11.949427     -2.113455      4.581627
  C     -11.079945     -0.100499      3.684359
  C     -11.131314      0.894714      2.694308
  C     -10.171573      1.900497      2.653226
  C      -9.154136      1.900325      3.601809
  F      -8.228915      2.880427      3.525267
  C      -9.080203      0.940876      4.624593
  C      -8.058346      0.952095      5.714917
  O      -8.313086      0.455486      6.816276
  N      -6.794734      1.427437      5.381732
  C      -6.104233      1.929770      6.372216
  C     -10.064930     -0.049773      4.644874
  H      -5.340349      5.665047     -0.917916
  H      -3.549422      5.757623     -0.982308
  H      -4.445650      4.465720     -1.854377
  H      -6.724145      3.768267     -1.045382
  H      -8.324581      1.910901     -0.592422
  H      -4.396146     -1.555006      4.415800
  H      -4.128568      2.258962      2.010735
  H      -8.126651     10.032746     -0.765954
  H      -6.680158      9.923897     -1.779529
  H      -8.173518      9.084824     -2.292988
  H      -5.966684     10.392385      0.432657
  H      -4.653159     10.481062      2.546942
  H      -4.482921      3.712494      3.876868
  H      -6.627113      6.180241      1.059007
  H     -13.898216     -2.050038      3.011574
  H     -12.851044     -1.337344      1.746349
  H     -13.780030     -0.269576      2.812261
  H     -11.922561      0.888606      1.944965
  H     -10.190220      2.684682      1.897009
  H      -6.593122      2.144095      7.338224
  H     -10.038752     -0.806063      5.430007
  N      -2.062241      1.863628      3.416565
  N      -1.265492      1.851206      2.515079
  H      -0.281244      1.614687      2.751289
89
Coordinates from ORCA-job orca E -6723.995553684198
  N      -3.086163      0.025239      5.253189
  Mo     -3.359398      1.988255      4.724159
  N      -4.776535      2.170803      6.275697
  C      -4.189084      2.800578      7.458459
  C      -2.832140      2.166114      7.736233
  N      -1.989767      2.012981      6.486700
  C      -1.237536      0.708732      6.526177
  C      -2.211660     -0.446474      6.293593
  C      -1.023969      3.155954      6.316612
  C      -1.780630      4.418223      5.914717
  N      -2.838575      3.942937      5.051577
  H      -1.660153     -1.351703      5.996468
  H      -2.786925     -0.685601      7.203148
  H      -0.505546      0.742378      5.709675
  H      -0.699469      0.614384      7.481475
  H      -2.203054      4.951924      6.780213
  H      -1.117332      5.119425      5.384922
  H      -0.446530      3.289441      7.243737
  H      -0.335780      2.866148      5.513228
  H      -4.823992      2.657781      8.347086
  H      -4.101459      3.887098      7.296550
  H      -2.994364      1.160433      8.140974
  H      -2.258987      2.742364      8.476835
  C      -4.488344      5.028689     -0.941600
  C      -4.357122      4.176599      0.292183
  O      -3.451388      4.350951      1.107527
  C      -5.358235      3.090619      0.518799
  C      -6.559564      2.984322     -0.200740
  C      -7.447351      1.947530      0.070235
  C      -7.134496      1.010900      1.050911
  F      -8.009698      0.018679      1.265057
  C      -5.949850      1.092931      1.811696
  C      -5.600078      0.083807      2.838371
  O      -6.125007     -1.017009      2.931462
  N      -4.518416      0.430006      3.681611
  C      -3.985604     -0.522154      4.461586
  C      -5.083548      2.144721      1.508183
  C      -7.603402      9.291839     -1.443755
  C      -7.177457      8.056278     -0.691676
  O      -7.448480      6.930930     -1.108528
  C      -6.401639      8.219993      0.576766
  C      -5.830966      9.441530      0.975391
  C      -5.073104      9.518096      2.139805
  C      -4.877801      8.371110      2.905580
  F      -4.154984      8.496869      4.034245
  C      -5.441195      7.133627      2.549341
  C      -5.272698      5.844883      3.277662
  O      -6.094574      4.937950      3.153147
  N      -4.102304      5.736001      4.049969
  C      -3.768028      4.515071      4.332047
  C      -6.214640      7.097041      1.384628
  C     -13.263967     -1.028381      2.657014
  C     -12.093745     -1.120052      3.609523
  O     -11.969232     -2.076818      4.367054
  C     -11.081243     -0.015863      3.607038
  C     -11.139338      1.059141      2.704280
  C     -10.165726      2.052822      2.724351
  C      -9.127685      1.961333      3.646264
  F      -8.194311      2.936425      3.634184
  C      -9.042042      0.914640      4.578933
  C      -7.992069      0.810832      5.634235
  O      -8.207283      0.193180      6.682925
  N      -6.747116      1.349801      5.343890
  C      -6.077272      1.843799      6.349687
  C     -10.041066     -0.061298      4.540264
  H      -5.436194      5.591849     -0.928537
  H      -3.647717      5.728408     -0.992894
  H      -4.510241      4.399164     -1.844056
  H      -6.815206      3.716206     -0.967560
  H      -8.386924      1.843511     -0.472438
  H      -4.291828     -1.575612      4.446866
  H      -4.124694      2.229373      2.018813
  H      -8.152198      9.983934     -0.788064
  H      -6.721548      9.834921     -1.818730
  H      -8.231557      9.001876     -2.292310
  H      -5.968175     10.340504      0.373920
  H      -4.626243     10.456047      2.469655
  H      -4.477699      3.709097      3.874957
  H      -6.677557      6.151970      1.101081
  H     -13.942126     -1.867796      2.840847
  H     -12.910483     -1.067930      1.614676
  H     -13.803974     -0.078342      2.781711
  H     -11.948446      1.125915      1.976993
  H     -10.189416      2.898688      2.037368
  H      -6.578565      2.029757      7.315264
  H     -10.004140     -0.883315      5.255860
  N      -2.016639      1.890567      3.430712
  N      -1.221968      1.881274      2.528235
  H      -0.233025      1.663633      2.765180
89
Coordinates from ORCA-job orca E -6723.996381775467
  N      -2.990622      0.018263      5.264377
  Mo     -3.321179      1.974033      4.734352
  N      -4.759780      2.126954      6.270172
  C      -4.198647      2.767073      7.458974
  C      -2.831305      2.163164      7.752453
  N      -1.970103      2.034232      6.512976
  C      -1.183042      0.751185      6.567314
  C      -2.118725     -0.431600      6.316627
  C      -1.030857      3.201050      6.352850
  C      -1.812452      4.443597      5.939490
  N      -2.847779      3.941138      5.063615
  H      -1.535609     -1.317166      6.020709
  H      -2.699512     -0.695401      7.216238
  H      -0.436954      0.804228      5.764719
  H      -0.660654      0.675430      7.532696
  H      -2.257329      4.969582      6.798483
  H      -1.159818      5.159232      5.415655
  H      -0.466949      3.349659      7.285958
  H      -0.327826      2.925067      5.557639
  H      -4.839920      2.611297      8.341045
  H      -4.131974      3.854997      7.297972
  H      -2.975876      1.152071      8.150194
  H      -2.279835      2.748691      8.502176
  C      -4.579684      4.983445     -0.945647
  C      -4.406829      4.143064      0.290432
  O      -3.482669      4.334724      1.081410
  C      -5.386821      3.043144      0.549136
  C      -6.612210      2.924978     -0.126759
  C      -7.475765      1.873823      0.167088
  C      -7.113031      0.933172      1.126130
  F      -7.963675     -0.075858      1.361473
  C      -5.903272      1.026928      1.844281
  C      -5.502542      0.011238      2.846324
  O      -6.005860     -1.098992      2.944903
  N      -4.425254      0.382740      3.685552
  C      -3.883541     -0.551876      4.481556
  C      -5.062720      2.094391      1.520964
  C      -7.687903      9.242622     -1.430330
  C      -7.253781      8.011401     -0.676321
  O      -7.542598      6.884185     -1.076471
  C      -6.450417      8.181272      0.573713
  C      -5.863079      9.402373      0.949318
  C      -5.082826      9.483983      2.098373
  C      -4.881771      8.343364      2.872410
  F      -4.137523      8.475615      3.986211
  C      -5.460014      7.106505      2.538923
  C      -5.290349      5.823463      3.277963
  O      -6.117450      4.918815      3.167015
  N      -4.122389      5.719467      4.051539
  C      -3.776597      4.501127      4.333210
  C      -6.254979      7.064754      1.388846
  C     -13.299683     -0.807323      2.546288
  C     -12.129070     -0.980399      3.487162
  O     -12.026563     -1.978234      4.192911
  C     -11.085536      0.094202      3.535991
  C     -11.121678      1.223391      2.699877
  C     -10.120445      2.187118      2.768706
  C      -9.077924      2.013651      3.673192
  F      -8.119569      2.962564      3.710504
  C      -9.009853      0.908874      4.536643
  C      -7.947779      0.707918      5.562860
  O      -8.143761     -0.004944      6.554322
  N      -6.712393      1.285701      5.317321
  C      -6.053271      1.764452      6.334245
  C     -10.035360     -0.037320      4.449794
  H      -5.543758      5.517427     -0.925462
  H      -3.761300      5.707773     -1.012208
  H      -4.592739      4.345511     -1.842487
  H      -6.904769      3.660121     -0.877202
  H      -8.433233      1.761421     -0.341392
  H      -4.166267     -1.611719      4.475992
  H      -4.086516      2.185520      1.996074
  H      -8.217065      9.945303     -0.769758
  H      -6.811152      9.775862     -1.830375
  H      -8.336907      8.948410     -2.261569
  H      -6.005103     10.296580      0.341802
  H      -4.622673     10.421551      2.410648
  H      -4.468971      3.688398      3.866375
  H      -6.730594      6.120503      1.124077
  H     -13.995405     -1.641143      2.684548
  H     -12.951825     -0.792838      1.501446
  H     -13.818439      0.145306      2.729115
  H     -11.935146      1.355389      1.986386
  H     -10.126407      3.072643      2.132706
  H      -6.560540      1.919973      7.302468
  H     -10.009795     -0.904062      5.111002
  N      -1.968131      1.905593      3.448077
  N      -1.174684      1.895170      2.545023
  H      -0.181086      1.703500      2.785494
89
Coordinates from ORCA-job orca E -6723.997041748094
  N      -2.945817      0.017383      5.265810
  Mo     -3.308238      1.969951      4.737361
  N      -4.759869      2.111340      6.261164
  C      -4.213854      2.756058      7.453012
  C      -2.844479      2.163923      7.758698
  N      -1.970852      2.046072      6.526848
  C      -1.167480      0.773456      6.593000
  C      -2.079926     -0.423535      6.327392
  C      -1.041987      3.222932      6.373673
  C      -1.829996      4.456845      5.949219
  N      -2.852193      3.942614      5.064410
  H      -1.478349     -1.296804      6.031658
  H      -2.665468     -0.705077      7.218894
  H      -0.409282      0.837416      5.802458
  H      -0.659562      0.706936      7.566673
  H      -2.287127      4.982744      6.802053
  H      -1.178708      5.176387      5.428995
  H      -0.487761      3.378618      7.311355
  H      -0.329471      2.950542      5.585524
  H      -4.862018      2.597077      8.329685
  H      -4.153687      3.844126      7.290574
  H      -2.984542      1.149804      8.150442
  H      -2.304328      2.751215      8.515390
  C      -4.642947      4.951605     -0.947264
  C      -4.446629      4.126652      0.295254
  O      -3.498735      4.319439      1.058003
  C      -5.428909      3.036224      0.590529
  C      -6.678117      2.928974     -0.042076
  C      -7.540305      1.884209      0.278760
  C      -7.150681      0.936887      1.220303
  F      -8.000782     -0.065696      1.484216
  C      -5.916469      1.020306      1.896562
  C      -5.487890     -0.004458      2.878616
  O      -5.963480     -1.128052      2.958412
  N      -4.401041      0.371595      3.704329
  C      -3.844441     -0.559754      4.494845
  C      -5.078514      2.082703      1.548634
  C      -7.704845      9.246858     -1.435953
  C      -7.282291      8.016745     -0.673492
  O      -7.608787      6.891183     -1.048853
  C      -6.442362      8.185616      0.552261
  C      -5.817097      9.397974      0.894198
  C      -5.007134      9.477840      2.022420
  C      -4.814436      8.344939      2.810074
  F      -4.039464      8.477284      3.902603
  C      -5.429098      7.116734      2.510227
  C      -5.276990      5.840382      3.266145
  O      -6.118476      4.948037      3.164415
  N      -4.112934      5.724481      4.041968
  C      -3.773947      4.503436      4.323912
  C      -6.251803      7.077017      1.379526
  C     -13.275080     -0.776011      2.450698
  C     -12.102672     -0.985332      3.381577
  O     -11.985581     -2.019348      4.030473
  C     -11.074894      0.100337      3.492545
  C     -11.134549      1.282876      2.733971
  C     -10.148592      2.255880      2.861274
  C      -9.096385      2.038788      3.744342
  F      -8.160169      3.002397      3.845802
  C      -8.999985      0.877802      4.526779
  C      -7.916859      0.621438      5.517389
  O      -8.071735     -0.183537      6.443313
  N      -6.700890      1.250577      5.300950
  C      -6.047851      1.720050      6.322377
  C     -10.013262     -0.076778      4.385370
  H      -5.611260      5.477299     -0.923150
  H      -3.831832      5.682137     -1.032600
  H      -4.660059      4.301677     -1.835763
  H      -6.989989      3.669448     -0.779642
  H      -8.516860      1.782920     -0.194525
  H      -4.123199     -1.620620      4.498160
  H      -4.085065      2.162178      1.989100
  H      -8.199107      9.973216     -0.773802
  H      -6.825376      9.751406     -1.866348
  H      -8.382139      8.956330     -2.245745
  H      -5.952838     10.286191      0.276355
  H      -4.516979     10.408651      2.308625
  H      -4.460713      3.694362      3.851723
  H      -6.756173      6.140539      1.141591
  H     -13.953094     -1.631853      2.532376
  H     -12.927404     -0.684953      1.409716
  H     -13.815530      0.151110      2.694056
  H     -11.956034      1.450315      2.036879
  H     -10.175484      3.183025      2.288034
  H      -6.551494      1.837690      7.298404
  H      -9.964998     -0.987458      4.983572
  N      -1.953815      1.912441      3.453933
  N      -1.166987      1.890658      2.545868
  H      -0.169153      1.717448      2.781983
89
Coordinates from ORCA-job orca E -6723.997520922045
  N      -2.914231      0.016164      5.260089
  Mo     -3.305684      1.967435      4.741918
  N      -4.761288      2.097730      6.261005
  C      -4.224132      2.745156      7.454355
  C      -2.853753      2.160474      7.766238
  N      -1.974736      2.052363      6.537989
  C      -1.160113      0.786974      6.609422
  C      -2.057908     -0.417628      6.332459
  C      -1.054824      3.237160      6.391091
  C      -1.848302      4.464809      5.959813
  N      -2.860748      3.943315      5.068312
  H      -1.445077     -1.285093      6.042390
  H      -2.650789     -0.707157      7.216411
  H      -0.393244      0.860106      5.827936
  H      -0.663093      0.723495      7.588936
  H      -2.314484      4.989918      6.808356
  H      -1.198136      5.187792      5.442891
  H      -0.508508      3.397367      7.332613
  H      -0.334064      2.970161      5.608408
  H      -4.877013      2.584419      8.327239
  H      -4.167807      3.833446      7.290645
  H      -2.990497      1.143706      8.152607
  H      -2.320003      2.747761      8.527553
  C      -4.686849      4.931914     -0.964104
  C      -4.464099      4.106708      0.273891
  O      -3.497407      4.296434      1.013053
  C      -5.444887      3.022694      0.594773
  C      -6.712267      2.925624     -0.001634
  C      -7.572673      1.886556      0.341374
  C      -7.161410      0.933102      1.267274
  F      -8.010383     -0.063915      1.554926
  C      -5.907469      1.006073      1.906856
  C      -5.455909     -0.028419      2.869022
  O      -5.906650     -1.163236      2.926395
  N      -4.380620      0.358855      3.704939
  C      -3.812137     -0.567621      4.493221
  C      -5.072635      2.064278      1.539905
  C      -7.716693      9.253369     -1.432347
  C      -7.307574      8.024385     -0.660331
  O      -7.662845      6.901238     -1.015508
  C      -6.443390      8.191763      0.548724
  C      -5.790224      9.396134      0.866109
  C      -4.955970      9.471910      1.976544
  C      -4.767509      8.343496      2.771673
  F      -3.963621      8.472064      3.843579
  C      -5.411429      7.123826      2.497940
  C      -5.269009      5.850740      3.262259
  O      -6.119352      4.966147      3.166413
  N      -4.109147      5.727773      4.041378
  C      -3.777974      4.504283      4.321104
  C      -6.256531      7.088544      1.383660
  C     -13.248751     -0.758660      2.383440
  C     -12.092587     -0.979088      3.331044
  O     -11.982462     -2.022806      3.965270
  C     -11.072314      0.109778      3.477844
  C     -11.132985      1.310505      2.748077
  C     -10.157818      2.288474      2.911700
  C      -9.113390      2.057184      3.800499
  F      -8.195032      3.031137      3.948061
  C      -9.009691      0.872926      4.546399
  C      -7.917386      0.590699      5.520292
  O      -8.059490     -0.243278      6.420272
  N      -6.705356      1.231341      5.306694
  C      -6.045761      1.687633      6.326628
  C     -10.016132     -0.084156      4.373240
  H      -5.658293      5.450786     -0.926108
  H      -3.882798      5.668805     -1.061336
  H      -4.711419      4.282348     -1.852829
  H      -7.040181      3.671286     -0.726876
  H      -8.564607      1.796036     -0.100979
  H      -4.082655     -1.630791      4.497716
  H      -4.066701      2.135327      1.953405
  H      -8.185627      9.998420     -0.772505
  H      -6.833312      9.733647     -1.882165
  H      -8.412232      8.966976     -2.228015
  H      -5.921229     10.280275      0.241465
  H      -4.441807     10.395819      2.242423
  H      -4.458322      3.696869      3.844508
  H      -6.780341      6.158378      1.163738
  H     -13.918985     -1.623396      2.429192
  H     -12.882903     -0.635772      1.352084
  H     -13.805213      0.155462      2.640205
  H     -11.949238      1.490438      2.047849
  H     -10.190168      3.231498      2.365384
  H      -6.537269      1.775864      7.312153
  H      -9.963140     -1.011781      4.944548
  N      -1.952312      1.923725      3.456089
  N      -1.174242      1.896433      2.540903
  H      -0.170438      1.749545      2.768447
89
Coordinates from ORCA-job orca E -6723.997859191345
  N      -2.885649      0.011359      5.255486
  Mo     -3.300683      1.960269      4.744698
  N      -4.759765      2.080362      6.257510
  C      -4.228918      2.732475      7.452013
  C      -2.856441      2.155906      7.768838
  N      -1.973900      2.056163      6.542927
  C      -1.147638      0.798287      6.616328
  C      -2.034248     -0.413097      6.335576
  C      -1.064233      3.249349      6.399747
  C      -1.865452      4.470042      5.962687
  N      -2.869357      3.940427      5.066741
  H      -1.413016     -1.277139      6.052769
  H      -2.630998     -0.705004      7.215855
  H      -0.376925      0.879554      5.839489
  H      -0.655921      0.736575      7.598679
  H      -2.340041      4.993233      6.807749
  H      -1.218078      5.197517      5.448500
  H      -0.524617      3.414851      7.344210
  H      -0.335984      2.989329      5.621549
  H      -4.885106      2.570924      8.322101
  H      -4.177519      3.820659      7.285753
  H      -2.989281      1.137362      8.152109
  H      -2.328780      2.744537      8.533360
  C      -4.719664      4.919398     -0.959268
  C      -4.477040      4.089013      0.271959
  O      -3.491505      4.267167      0.988273
  C      -5.455715      3.008817      0.607517
  C      -6.734748      2.919858      0.035725
  C      -7.594570      1.885750      0.394658
  C      -7.170393      0.928499      1.310676
  F      -8.018037     -0.064591      1.614789
  C      -5.903612      0.993025      1.924431
  C      -5.437457     -0.047913      2.872813
  O      -5.872641     -1.189075      2.915208
  N      -4.371847      0.346437      3.716097
  C      -3.789032     -0.576535      4.498150
  C      -5.069800      2.046566      1.543707
  C      -7.719776      9.258572     -1.439617
  C      -7.321315      8.028505     -0.663325
  O      -7.693811      6.908230     -1.008514
  C      -6.445936      8.192193      0.538503
  C      -5.778163      9.391141      0.845486
  C      -4.930549      9.461494      1.945898
  C      -4.743537      8.333272      2.741508
  F      -3.922397      8.456767      3.800882
  C      -5.404271      7.119544      2.480375
  C      -5.265098      5.846369      3.245980
  O      -6.116790      4.962667      3.148264
  N      -4.110225      5.723161      4.032569
  C      -3.784324      4.498078      4.312155
  C      -6.261296      7.089778      1.374784
  C     -13.215094     -0.742041      2.316296
  C     -12.071427     -0.972430      3.276021
  O     -11.958384     -2.030336      3.885765
  C     -11.066404      0.124420      3.463927
  C     -11.141791      1.347576      2.774444
  C     -10.185312      2.336183      2.979296
  C      -9.142962      2.091553      3.867565
  F      -8.247078      3.079230      4.061634
  C      -9.020238      0.880086      4.567062
  C      -7.918363      0.574704      5.525339
  O      -8.050073     -0.284061      6.401069
  N      -6.707462      1.217422      5.304414
  C      -6.041637      1.658383      6.326076
  C     -10.011316     -0.084758      4.356672
  H      -5.691407      5.435505     -0.907556
  H      -3.919025      5.658975     -1.064499
  H      -4.753100      4.273882     -1.850714
  H      -7.073157      3.668715     -0.681154
  H      -8.596503      1.803562     -0.026071
  H      -4.059221     -1.639963      4.506216
  H      -4.055938      2.111899      1.939103
  H      -8.175474     10.012821     -0.781031
  H      -6.832548      9.724743     -1.896610
  H      -8.423481      8.977396     -2.229864
  H      -5.907557     10.274983      0.220193
  H      -4.403633     10.380655      2.202901
  H      -4.455571      3.690036      3.833067
  H      -6.794840      6.163525      1.161900
  H     -13.870167     -1.619450      2.320373
  H     -12.834563     -0.576345      1.296381
  H     -13.793665      0.151777      2.594532
  H     -11.956367      1.538687      2.075496
  H     -10.233044      3.298052      2.468101
  H      -6.523720      1.725692      7.318014
  H      -9.946468     -1.031165      4.894946
  N      -1.949896      1.927863      3.454749
  N      -1.182193      1.901294      2.531518
  H      -0.172504      1.783286      2.748589
89
Coordinates from ORCA-job orca E -6723.998067027425
  N      -2.844234      0.011945      5.235949
  Mo     -3.300420      1.956337      4.743922
  N      -4.770697      2.053508      6.242037
  C      -4.256747      2.710649      7.442054
  C      -2.880845      2.149135      7.770213
  N      -1.986494      2.065792      6.552260
  C      -1.142547      0.819716      6.629252
  C      -2.009366     -0.401751      6.332735
  C      -1.093230      3.272108      6.422408
  C      -1.905029      4.481898      5.975161
  N      -2.890667      3.940643      5.066841
  H      -1.373112     -1.259210      6.063112
  H      -2.619394     -0.699759      7.201503
  H      -0.362472      0.916031      5.863761
  H      -0.663451      0.758287      7.617888
  H      -2.396093      5.000269      6.813732
  H      -1.260279      5.217200      5.468706
  H      -0.569758      3.444099      7.374764
  H      -0.349591      3.024773      5.654735
  H      -4.919869      2.542579      8.305521
  H      -4.216392      3.799086      7.275401
  H      -3.006226      1.127356      8.147011
  H      -2.367252      2.739779      8.542633
  C      -4.730328      4.908958     -0.976296
  C      -4.469942      4.076646      0.250688
  O      -3.478492      4.258694      0.957206
  C      -5.442980      2.997355      0.600071
  C      -6.733466      2.915171      0.054073
  C      -7.590880      1.885240      0.429598
  C      -7.151533      0.924091      1.333916
  F      -7.995662     -0.066070      1.656970
  C      -5.872086      0.980429      1.919063
  C      -5.390683     -0.068331      2.851771
  O      -5.800588     -1.219156      2.867043
  N      -4.345388      0.335480      3.712584
  C      -3.748843     -0.583477      4.487090
  C      -5.040763      2.030986      1.526116
  C      -7.706102      9.308472     -1.430800
  C      -7.329880      8.074113     -0.649940
  O      -7.734257      6.961358     -0.981670
  C      -6.433302      8.223986      0.538388
  C      -5.736048      9.409446      0.831030
  C      -4.869238      9.464531      1.917160
  C      -4.691856      8.334315      2.712097
  F      -3.848074      8.444613      3.755091
  C      -5.382923      7.133968      2.465904
  C      -5.258523      5.858934      3.230738
  O      -6.116521      4.981857      3.127277
  N      -4.110421      5.724355      4.025117
  C      -3.797603      4.494704      4.299094
  C      -6.257857      7.120285      1.374154
  C     -13.238500     -0.757049      2.332296
  C     -12.108583     -0.979324      3.309621
  O     -12.017376     -2.022658      3.947211
  C     -11.092559      0.109828      3.483896
  C     -11.158405      1.324931      2.781072
  C     -10.197265      2.310768      2.978492
  C      -9.158607      2.070286      3.872626
  F      -8.260966      3.059302      4.062904
  C      -9.041137      0.860805      4.578350
  C      -7.930187      0.544616      5.525383
  O      -8.065769     -0.292581      6.418311
  N      -6.715392      1.176791      5.287787
  C      -6.046825      1.609713      6.310572
  C     -10.038385     -0.098397      4.377332
  H      -5.710060      5.408825     -0.923496
  H      -3.942401      5.662290     -1.080398
  H      -4.752313      4.266309     -1.870043
  H      -7.083364      3.666245     -0.654617
  H      -8.602543      1.810223      0.031535
  H      -4.010496     -1.649332      4.493757
  H      -4.019058      2.090232      1.902156
  H      -8.136059     10.078230     -0.773059
  H      -6.812229      9.748614     -1.900187
  H      -8.425037      9.039841     -2.211490
  H      -5.858164     10.294754      0.206605
  H      -4.319071     10.372882      2.163070
  H      -4.454596      3.684348      3.809005
  H      -6.812876      6.204372      1.171578
  H     -13.896461     -1.632111      2.336104
  H     -12.844760     -0.601031      1.316079
  H     -13.819184      0.140043      2.595064
  H     -11.969299      1.513761      2.077655
  H     -10.240921      3.267592      2.459047
  H      -6.519024      1.651195      7.308542
  H      -9.979854     -1.040728      4.923406
  N      -1.948357      1.942416      3.448558
  N      -1.194863      1.916245      2.513702
  H      -0.178330      1.838815      2.714964
89
Coordinates from ORCA-job orca E -6723.998220526742
  N      -2.809282      0.007283      5.238116
  Mo     -3.291206      1.947157      4.751127
  N      -4.758710      2.034868      6.248053
  C      -4.245596      2.696549      7.447836
  C      -2.864288      2.147319      7.773320
  N      -1.971765      2.072659      6.553216
  C      -1.114747      0.836127      6.628706
  C      -1.970795     -0.393598      6.337344
  C      -1.092047      3.288559      6.420099
  C      -1.917807      4.488569      5.971625
  N      -2.899009      3.935540      5.065797
  H      -1.326420     -1.246556      6.072728
  H      -2.578829     -0.692253      7.207312
  H      -0.338526      0.939642      5.860337
  H      -0.631563      0.779386      7.615668
  H      -2.413099      5.003112      6.810110
  H      -1.281853      5.230121      5.463083
  H      -0.570102      3.468070      7.371929
  H      -0.345806      3.049080      5.652398
  H      -4.905518      2.524968      8.312989
  H      -4.214428      3.784802      7.279370
  H      -2.979701      1.124538      8.150615
  H      -2.355163      2.742739      8.545056
  C      -4.793841      4.891154     -0.939811
  C      -4.511988      4.049685      0.276427
  O      -3.514692      4.235808      0.973911
  C      -5.471021      2.958000      0.626802
  C      -6.762812      2.862350      0.085706
  C      -7.607173      1.821436      0.461647
  C      -7.153712      0.863246      1.361987
  F      -7.985201     -0.136718      1.687871
  C      -5.873084      0.933618      1.943070
  C      -5.375590     -0.109124      2.874250
  O      -5.765024     -1.267252      2.885957
  N      -4.333820      0.309561      3.731006
  C      -3.717949     -0.599271      4.501516
  C      -5.054832      1.994162      1.549518
  C      -7.718603      9.302606     -1.431925
  C      -7.350024      8.067315     -0.648826
  O      -7.764875      6.957078     -0.975964
  C      -6.448926      8.213547      0.536896
  C      -5.744278      9.395595      0.825447
  C      -4.873930      9.447657      1.908986
  C      -4.700212      8.317599      2.705000
  F      -3.852511      8.425622      3.745111
  C      -5.398043      7.120417      2.462629
  C      -5.274561      5.845532      3.227530
  O      -6.134588      4.969806      3.127147
  N      -4.124416      5.711271      4.022105
  C      -3.810015      4.481277      4.295320
  C      -6.276865      7.110016      1.373708
  C     -13.205830     -0.683918      2.251077
  C     -12.087930     -0.923282      3.238581
  O     -12.003952     -1.978459      3.857695
  C     -11.074492      0.162396      3.445611
  C     -11.138535      1.394419      2.772816
  C     -10.180961      2.377694      3.001484
  C      -9.147026      2.116403      3.894993
  F      -8.252981      3.102594      4.117465
  C      -9.032759      0.890671      4.572320
  C      -7.929346      0.556554      5.522328
  O      -8.073576     -0.292886      6.402355
  N      -6.706420      1.176912      5.285360
  C      -6.035270      1.592278      6.315490
  C     -10.026292     -0.065125      4.341889
  H      -5.779636      5.377366     -0.875387
  H      -4.016773      5.655908     -1.042568
  H      -4.813130      4.256963     -1.839816
  H      -7.123997      3.609799     -0.621127
  H      -8.619147      1.735359      0.066411
  H      -3.969996     -1.667323      4.514262
  H      -4.032584      2.064458      1.922113
  H      -8.142137     10.076777     -0.775119
  H      -6.822356      9.735221     -1.903848
  H      -8.440855      9.037480     -2.210819
  H      -5.864122     10.281005      0.200591
  H      -4.318339     10.353493      2.152098
  H      -4.458950      3.664959      3.805368
  H      -6.837573      6.196917      1.174581
  H     -13.858390     -1.562595      2.224276
  H     -12.799626     -0.499280      1.244601
  H     -13.795844      0.202484      2.529348
  H     -11.944667      1.598839      2.068217
  H     -10.223470      3.347756      2.506229
  H      -6.506939      1.628454      7.313585
  H      -9.970990     -1.019880      4.866381
  N      -1.948666      1.942140      3.447693
  N      -1.208153      1.921422      2.502803
  H      -0.187130      1.867836      2.689339
89
Coordinates from ORCA-job orca E -6723.998347201359
  N      -2.793726      0.010952      5.224802
  Mo     -3.293585      1.948943      4.746737
  N      -4.768882      2.023955      6.234529
  C      -4.262354      2.686596      7.438036
  C      -2.878448      2.146574      7.766916
  N      -1.980074      2.080978      6.550286
  C      -1.114053      0.851271      6.626326
  C      -1.959167     -0.384695      6.329429
  C      -1.109927      3.304515      6.423381
  C      -1.944167      4.498250      5.973625
  N      -2.916717      3.939040      5.062166
  H      -1.306236     -1.232292      6.068835
  H      -2.570900     -0.687534      7.195474
  H      -0.337028      0.962232      5.859806
  H      -0.632560      0.796140      7.614168
  H      -2.447345      5.006500      6.811287
  H      -1.312649      5.246682      5.469620
  H      -0.594652      3.486727      7.378341
  H      -0.357593      3.073238      5.659086
  H      -4.923003      2.508206      8.301246
  H      -4.239149      3.775170      7.271550
  H      -2.987796      1.122370      8.142067
  H      -2.376931      2.744063      8.542066
  C      -4.805034      4.896446     -0.933669
  C      -4.526601      4.059473      0.286442
  O      -3.523637      4.239924      0.977841
  C      -5.480331      2.961031      0.632763
  C      -6.770653      2.859433      0.088949
  C      -7.610549      1.813141      0.460628
  C      -7.154451      0.855719      1.360203
  F      -7.981505     -0.148713      1.683827
  C      -5.874878      0.930963      1.943159
  C      -5.372161     -0.111621      2.871986
  O      -5.764333     -1.268960      2.889786
  N      -4.329038      0.308452      3.726204
  C      -3.705869     -0.598391      4.493293
  C      -5.060847      1.996316      1.553216
  C      -7.639267      9.358169     -1.460026
  C      -7.293819      8.117535     -0.675083
  O      -7.723248      7.013617     -1.005058
  C      -6.401104      8.250613      0.518579
  C      -5.685711      9.423862      0.816309
  C      -4.825411      9.463641      1.908490
  C      -4.672091      8.329866      2.703547
  F      -3.834152      8.426933      3.752658
  C      -5.379622      7.140754      2.450544
  C      -5.273470      5.861341      3.209870
  O      -6.140179      4.993484      3.100071
  N      -4.131533      5.716570      4.015487
  C      -3.823406      4.483531      4.284417
  C      -6.249123      7.143293      1.354194
  C     -13.231736     -0.743185      2.294061
  C     -12.096849     -0.979425      3.263297
  O     -11.987764     -2.042599      3.864677
  C     -11.095315      0.116852      3.470936
  C     -11.189953      1.360263      2.823210
  C     -10.241479      2.352860      3.051893
  C      -9.186006      2.089246      3.918562
  F      -8.299263      3.081843      4.140389
  C      -9.044000      0.855185      4.573624
  C      -7.926107      0.525214      5.507215
  O      -8.052081     -0.331255      6.384030
  N      -6.712257      1.163994      5.262954
  C      -6.044365      1.579204      6.297349
  C     -10.027827     -0.110712      4.344889
  H      -5.791264      5.382498     -0.876148
  H      -4.027773      5.660940     -1.036498
  H      -4.819366      4.258233     -1.831108
  H      -7.134560      3.605711     -0.617590
  H      -8.620956      1.722217      0.062520
  H      -3.954561     -1.667039      4.506148
  H      -4.038837      2.070008      1.925399
  H      -8.058739     10.137007     -0.806109
  H      -6.733727      9.779896     -1.923896
  H      -8.358166      9.102892     -2.245317
  H      -5.789679     10.312028      0.192498
  H      -4.262267     10.362678      2.159318
  H      -4.465097      3.666857      3.786215
  H      -6.818799      6.237281      1.148589
  H     -13.865986     -1.634768      2.257650
  H     -12.842920     -0.528046      1.286868
  H     -13.836336      0.124234      2.599868
  H     -12.012452      1.566139      2.138117
  H     -10.306052      3.331444      2.575439
  H      -6.518179      1.609914      7.294215
  H      -9.951182     -1.073016      4.852582
  N      -1.951567      1.953156      3.443055
  N      -1.219421      1.940318      2.491680
  H      -0.195832      1.910115      2.669533
89
Coordinates from ORCA-job orca E -6723.998516513924
  N      -2.745257      0.012900      5.214469
  Mo     -3.287891      1.944158      4.748395
  N      -4.767600      1.998098      6.231123
  C      -4.268763      2.662209      7.437950
  C      -2.877546      2.141119      7.765582
  N      -1.975433      2.094448      6.550214
  C      -1.088037      0.880236      6.625774
  C      -1.910236     -0.370000      6.323911
  C      -1.126746      3.333808      6.427858
  C      -1.980918      4.513056      5.977089
  N      -2.940818      3.938076      5.061700
  H      -1.241212     -1.205919      6.065978
  H      -2.522177     -0.683301      7.186231
  H      -0.312193      1.005675      5.859950
  H      -0.606397      0.832715      7.613886
  H      -2.495119      5.011307      6.814206
  H      -1.361724      5.273633      5.475615
  H      -0.618666      3.524167      7.385144
  H      -0.367292      3.116775      5.666219
  H      -4.926374      2.470887      8.300875
  H      -4.261280      3.751625      7.275269
  H      -2.971458      1.113767      8.136595
  H      -2.386395      2.743113      8.544036
  C      -4.865170      4.873661     -0.914978
  C      -4.576279      4.044575      0.307781
  O      -3.580736      4.247083      1.004705
  C      -5.512070      2.930283      0.655783
  C      -6.800410      2.806136      0.111460
  C      -7.622818      1.745256      0.481980
  C      -7.150904      0.796078      1.382020
  F      -7.959761     -0.223938      1.704360
  C      -5.872815      0.893224      1.965238
  C      -5.351645     -0.141459      2.893092
  O      -5.729177     -1.303828      2.915631
  N      -4.304186      0.290992      3.736525
  C      -3.661299     -0.607987      4.496519
  C      -5.076060      1.972159      1.575532
  C      -7.597583      9.400451     -1.465661
  C      -7.275322      8.156013     -0.676794
  O      -7.724358      7.058918     -1.004496
  C      -6.379804      8.275824      0.516201
  C      -5.647100      9.438531      0.814028
  C      -4.788790      9.466410      1.908280
  C      -4.653859      8.331061      2.704789
  F      -3.818467      8.418143      3.756958
  C      -5.376474      7.151452      2.449592
  C      -5.287451      5.869392      3.206853
  O      -6.161041      5.009337      3.091395
  N      -4.150703      5.712449      4.016599
  C      -3.846246      4.476738      4.277345
  C      -6.244811      7.166712      1.352460
  C     -13.253862     -0.716530      2.292771
  C     -12.115385     -0.961275      3.256119
  O     -12.013598     -2.023176      3.861035
  C     -11.103610      0.126761      3.457549
  C     -11.192259      1.372079      2.812498
  C     -10.232762      2.355793      3.034799
  C      -9.172609      2.082103      3.892066
  F      -8.271744      3.064436      4.102971
  C      -9.038810      0.847829      4.547805
  C      -7.924927      0.510904      5.482304
  O      -8.056288     -0.346025      6.358536
  N      -6.707042      1.147572      5.245987
  C      -6.042537      1.552674      6.287339
  C     -10.032291     -0.110025      4.325021
  H      -5.862715      5.338183     -0.868133
  H      -4.104088      5.655235     -1.013118
  H      -4.856346      4.232047     -1.810514
  H      -7.176502      3.545601     -0.595979
  H      -8.631039      1.636332      0.082362
  H      -3.894590     -1.680131      4.512495
  H      -4.054210      2.061116      1.944798
  H      -8.006015     10.187884     -0.814819
  H      -6.684367      9.806518     -1.928747
  H      -8.319008      9.154692     -2.251794
  H      -5.736307     10.327572      0.188964
  H      -4.213199     10.357452      2.159974
  H      -4.476521      3.657214      3.770313
  H      -6.828439      6.269283      1.147728
  H     -13.889012     -1.607397      2.254170
  H     -12.870535     -0.493110      1.285379
  H     -13.855954      0.148954      2.609673
  H     -12.018781      1.586335      2.134573
  H     -10.291233      3.335197      2.559227
  H      -6.520655      1.576547      7.282119
  H      -9.961694     -1.072971      4.832341
  N      -1.950830      1.969234      3.437181
  N      -1.229554      1.967151      2.477723
  H      -0.203493      1.954212      2.644538
89
Coordinates from ORCA-job orca E -6723.988330260887
  N      -2.729025      0.012620      5.235979
  Mo     -3.288762      1.935743      4.744420
  N      -4.759669      1.991453      6.224595
  C      -4.257077      2.669118      7.423843
  C      -2.860454      2.164039      7.752172
  N      -1.965354      2.112677      6.534753
  C      -1.068333      0.907942      6.623800
  C      -1.879513     -0.350267      6.346233
  C      -1.129889      3.357736      6.392600
  C      -2.001141      4.523356      5.937509
  N      -2.962498      3.931930      5.035862
  H      -1.205507     -1.181148      6.099363
  H      -2.480685     -0.657408      7.216096
  H      -0.304744      1.028843      5.849949
  H      -0.576118      0.877783      7.608286
  H      -2.512300      5.019192      6.773796
  H      -1.398261      5.288935      5.425168
  H      -0.614847      3.561041      7.342666
  H      -0.377174      3.141971      5.628217
  H      -4.905474      2.478175      8.291664
  H      -4.261423      3.756294      7.251026
  H      -2.941373      1.141568      8.137044
  H      -2.372055      2.777919      8.520964
  C      -4.955042      4.827552     -0.858352
  C      -4.682408      4.002844      0.363961
  O      -3.739590      4.204817      1.054049
  C      -5.566679      2.873667      0.700499
  C      -6.809345      2.721271      0.134475
  C      -7.592940      1.643666      0.491235
  C      -7.123914      0.703861      1.398394
  F      -7.895388     -0.333481      1.704776
  C      -5.885308      0.828721      2.003360
  C      -5.364963     -0.195285      2.938528
  O      -5.736008     -1.357090      2.987481
  N      -4.309526      0.254416      3.768028
  C      -3.659806     -0.626815      4.537063
  C      -5.131035      1.925763      1.628002
  C      -7.521878      9.501162     -1.471081
  C      -7.214755      8.242752     -0.700471
  O      -7.664578      7.158381     -1.053768
  C      -6.338480      8.334252      0.508706
  C      -5.604607      9.485843      0.836971
  C      -4.769129      9.491221      1.949554
  C      -4.657022      8.344248      2.733754
  F      -3.849552      8.410953      3.808493
  C      -5.378280      7.173417      2.446146
  C      -5.308985      5.879514      3.188207
  O      -6.195202      5.033469      3.059025
  N      -4.176117      5.702980      4.000788
  C      -3.876368      4.463692      4.254872
  C      -6.225738      7.211538      1.332532
  C     -13.273832     -0.722470      2.295192
  C     -12.117563     -0.975626      3.237481
  O     -12.001812     -2.054473      3.824624
  C     -11.100619      0.120280      3.434432
  C     -11.200036      1.388262      2.808678
  C     -10.228133      2.371033      3.026700
  C      -9.146629      2.075057      3.860315
  F      -8.228614      3.048335      4.060782
  C      -9.010639      0.831270      4.503671
  C      -7.901477      0.499170      5.433080
  O      -8.036241     -0.342827      6.285932
  N      -6.689918      1.143421      5.226471
  C      -6.035059      1.552184      6.273917
  C     -10.013468     -0.127651      4.282147
  H      -5.937182      5.267040     -0.856225
  H      -4.236755      5.614398     -0.945926
  H      -4.903273      4.199856     -1.721606
  H      -7.184180      3.451601     -0.581281
  H      -8.567722      1.512405      0.072981
  H      -3.886821     -1.701524      4.566215
  H      -4.140746      2.036365      2.011046
  H      -7.938042     10.276298     -0.814996
  H      -6.603697      9.911016     -1.909135
  H      -8.230826      9.274844     -2.272990
  H      -5.676967     10.384889      0.222771
  H      -4.195642     10.374493      2.226747
  H      -4.499496      3.641689      3.747393
  H      -6.814461      6.323458      1.107749
  H     -13.903173     -1.625877      2.252819
  H     -12.916365     -0.472555      1.278020
  H     -13.869924      0.134992      2.646420
  H     -12.041200      1.615904      2.147304
  H     -10.288720      3.363585      2.561715
  H      -6.523405      1.589484      7.259460
  H      -9.939329     -1.101268      4.777536
  N      -1.970239      1.970185      3.424432
  N      -1.268445      1.972717      2.452803
  H      -0.242718      1.955686      2.600613
89
Coordinates from ORCA-job orca E -6723.998190835116
  N      -2.718128      0.012369      5.236323
  Mo     -3.286287      1.934447      4.737311
  N      -4.762223      1.981816      6.219577
  C      -4.264737      2.664508      7.419047
  C      -2.863732      2.167569      7.747892
  N      -1.965623      2.120585      6.531737
  C      -1.061285      0.919087      6.624102
  C      -1.869967     -0.344708      6.348455
  C      -1.135997      3.371696      6.392278
  C      -2.015112      4.533215      5.936801
  N      -2.973471      3.935411      5.033275
  H      -1.191009     -1.174816      6.103250
  H      -2.472394     -0.653274      7.217799
  H      -0.295555      1.041564      5.851124
  H      -0.569586      0.892907      7.610804
  H      -2.531701      5.026088      6.773548
  H      -1.415208      5.304082      5.426388
  H      -0.623769      3.578083      7.344352
  H      -0.379176      3.160601      5.628846
  H      -4.913942      2.468801      8.286076
  H      -4.275856      3.753425      7.247120
  H      -2.939728      1.143229      8.131706
  H      -2.379129      2.785095      8.518052
  C      -4.946726      4.809057     -0.874144
  C      -4.644780      3.978699      0.349924
  O      -3.641960      4.182868      1.052773
  C      -5.555260      2.849966      0.686030
  C      -6.832519      2.700480      0.127446
  C      -7.628752      1.623608      0.487928
  C      -7.141997      0.682659      1.392495
  F      -7.929504     -0.351850      1.705586
  C      -5.874885      0.805547      1.990201
  C      -5.347663     -0.213678      2.928949
  O      -5.717588     -1.372699      2.981635
  N      -4.292282      0.244117      3.763297
  C      -3.639037     -0.629659      4.537004
  C      -5.106022      1.901066      1.609105
  C      -7.518541      9.517265     -1.459588
  C      -7.213501      8.257892     -0.686750
  O      -7.662985      7.173575     -1.039133
  C      -6.337696      8.348714      0.522597
  C      -5.602225      9.499104      0.849821
  C      -4.765253      9.502340      1.960497
  C      -4.653490      8.354336      2.743934
  F      -3.843567      8.418541      3.816134
  C      -5.378536      7.184945      2.458680
  C      -5.313752      5.889298      3.201423
  O      -6.202979      5.045523      3.071726
  N      -4.181167      5.707194      4.010417
  C      -3.890178      4.464565      4.254757
  C      -6.226517      7.225565      1.346422
  C     -13.274726     -0.710668      2.298873
  C     -12.132128     -0.956864      3.254566
  O     -12.035466     -2.013010      3.861002
  C     -11.108967      0.126740      3.439734
  C     -11.194815      1.378349      2.790530
  C     -10.220565      2.351682      2.995808
  C      -9.147220      2.059021      3.844013
  F      -8.223001      3.019336      4.033679
  C      -9.022727      0.825984      4.512400
  C      -7.916142      0.492339      5.454652
  O      -8.059903     -0.346343      6.336382
  N      -6.698348      1.121607      5.232715
  C      -6.037375      1.538560      6.272252
  C     -10.031716     -0.117088      4.298291
  H      -5.954117      5.260746     -0.836631
  H      -4.199312      5.597248     -0.963340
  H      -4.920719      4.174173     -1.773673
  H      -7.218408      3.431350     -0.585306
  H      -8.628575      1.494362      0.075908
  H      -3.858576     -1.702946      4.569438
  H      -4.092353      2.010737      1.986051
  H      -7.935296     10.294951     -0.805062
  H      -6.598584      9.924000     -1.896273
  H      -8.226578      9.291931     -2.262469
  H      -5.673671     10.398449      0.235712
  H      -4.189969     10.384337      2.236212
  H      -4.508379      3.643880      3.742024
  H      -6.815673      6.338358      1.121724
  H     -13.912894     -1.599975      2.265201
  H     -12.902870     -0.486625      1.288796
  H     -13.866107      0.154251      2.622907
  H     -12.027917      1.600547      2.121568
  H     -10.271638      3.330192      2.514304
  H      -6.523401      1.580608      7.258109
  H      -9.967891     -1.078765      4.810710
  N      -1.963417      1.979188      3.413680
  N      -1.260569      1.987259      2.440219
  H      -0.234696      1.973760      2.588786
89
Coordinates from ORCA-job orca E -6723.985755310273
  N      -2.722308      0.015005      5.210228
  Mo     -3.287764      1.938140      4.726768
  N      -4.772082      1.971321      6.210732
  C      -4.285317      2.640871      7.418148
  C      -2.886087      2.143709      7.742450
  N      -1.980027      2.110412      6.527290
  C      -1.076234      0.910906      6.609266
  C      -1.884041     -0.351009      6.319793
  C      -1.151123      3.363190      6.403383
  C      -2.026846      4.526504      5.957203
  N      -2.980113      3.935369      5.044867
  H      -1.202677     -1.180287      6.064513
  H      -2.491906     -0.669162      7.185897
  H      -0.303241      1.041619      5.838186
  H      -0.592207      0.876514      7.595878
  H      -2.549631      5.012469      6.798783
  H      -1.423671      5.301786      5.456221
  H      -0.644697      3.561442      7.359395
  H      -0.388160      3.158836      5.638397
  H      -4.941473      2.433743      8.280875
  H      -4.297009      3.731272      7.259981
  H      -2.963466      1.114547      8.113159
  H      -2.405721      2.754731      8.522135
  C      -4.836230      4.900075     -0.837460
  C      -4.562725      4.050685      0.354629
  O      -3.608367      4.265329      1.044747
  C      -5.500766      2.909615      0.682507
  C      -6.797953      2.765750      0.133884
  C      -7.631720      1.680670      0.492405
  C      -7.157116      0.727439      1.381883
  F      -7.978808     -0.308941      1.693167
  C      -5.863745      0.841807      1.968026
  C      -5.335832     -0.189836      2.891113
  O      -5.722859     -1.355532      2.925636
  N      -4.283975      0.263977      3.734351
  C      -3.631557     -0.619873      4.502406
  C      -5.064139      1.944431      1.591506
  C      -7.562043      9.415736     -1.481900
  C      -7.265889      8.171551     -0.675861
  O      -7.750710      7.070349     -0.983609
  C      -6.358226      8.295514      0.513638
  C      -5.598553      9.455110      0.797263
  C      -4.737824      9.485188      1.892905
  C      -4.626013      8.355155      2.703565
  F      -3.788719      8.444831      3.758196
  C      -5.373679      7.178203      2.460630
  C      -5.312241      5.897515      3.229333
  O      -6.209864      5.056370      3.122733
  N      -4.178638      5.718324      4.035684
  C      -3.894975      4.472033      4.268371
  C      -6.243540      7.192411      1.362570
  C     -13.279242     -0.684523      2.304869
  C     -12.138464     -0.950847      3.267525
  O     -12.036084     -2.043038      3.886943
  C     -11.115496      0.122654      3.463026
  C     -11.185511      1.350096      2.836614
  C     -10.215873      2.320855      3.045478
  C      -9.166109      2.055453      3.871980
  F      -8.255418      3.036219      4.057281
  C      -9.049843      0.828404      4.528891
  C      -7.946009      0.483683      5.474996
  O      -8.101842     -0.410172      6.399125
  N      -6.716158      1.120850      5.229224
  C      -6.049415      1.527320      6.263943
  C     -10.051998     -0.118957      4.315122
  H      -5.831165      5.354461     -0.792155
  H      -4.081588      5.702573     -0.918121
  H      -4.807006      4.264248     -1.733926
  H      -7.175587      3.507595     -0.566445
  H      -8.649778      1.557350      0.089658
  H      -3.850884     -1.698096      4.527406
  H      -4.030651      2.046637      1.962180
  H      -7.950468     10.225982     -0.832623
  H      -6.634327      9.798539     -1.963584
  H      -8.297150      9.170158     -2.261283
  H      -5.671556     10.339472      0.161797
  H      -4.143743     10.374358      2.134933
  H      -4.511396      3.659639      3.744342
  H      -6.846571      6.298525      1.168130
  H     -13.916224     -1.572400      2.269063
  H     -12.895601     -0.456961      1.289434
  H     -13.884663      0.193032      2.630758
  H     -12.008939      1.567254      2.175631
  H     -10.261308      3.290089      2.576254
  H      -6.533337      1.552755      7.259976
  H      -9.993732     -1.077966      4.819980
  N      -1.958086      1.994613      3.404516
  N      -1.251853      2.010985      2.431813
  H      -0.222098      2.005831      2.579906
89
Coordinates from ORCA-job orca E -6723.993966805063
  N      -2.719770      0.015976      5.218158
  Mo     -3.280247      1.937960      4.733053
  N      -4.765029      1.974477      6.213118
  C      -4.280551      2.646642      7.422555
  C      -2.883593      2.148000      7.750583
  N      -1.975141      2.111286      6.535519
  C      -1.073805      0.910613      6.618751
  C      -1.883881     -0.349154      6.329226
  C      -1.145043      3.362338      6.410706
  C      -2.019439      4.525108      5.963364
  N      -2.972366      3.933822      5.050803
  H      -1.204877     -1.179031      6.074582
  H      -2.493366     -0.663482      7.194617
  H      -0.300151      1.038037      5.848068
  H      -0.591544      0.877391      7.606076
  H      -2.541948      5.012007      6.804377
  H      -1.416166      5.298627      5.461304
  H      -0.639646      3.561470      7.367314
  H      -0.382251      3.156182      5.646067
  H      -4.937353      2.442037      8.285185
  H      -4.290743      3.735920      7.263168
  H      -2.963133      1.120578      8.123356
  H      -2.404285      2.759870      8.530224
  C      -4.875590      4.887401     -0.869519
  C      -4.586881      4.051299      0.338610
  O      -3.600789      4.278183      1.024892
  C      -5.523178      2.901624      0.682467
  C      -6.811191      2.741856      0.132306
  C      -7.623728      1.649529      0.491664
  C      -7.141137      0.705258      1.386895
  F      -7.938396     -0.340730      1.696723
  C      -5.860539      0.835756      1.977757
  C      -5.319726     -0.187267      2.905996
  O      -5.691518     -1.359493      2.939591
  N      -4.277604      0.266829      3.741731
  C      -3.626722     -0.620227      4.507423
  C      -5.077305      1.944823      1.597761
  C      -7.561500      9.410488     -1.469786
  C      -7.262366      8.168606     -0.667642
  O      -7.742348      7.070192     -0.979029
  C      -6.359564      8.291243      0.522765
  C      -5.610422      9.449848      0.813881
  C      -4.753774      9.479431      1.911148
  C      -4.636506      8.349500      2.715905
  F      -3.803403      8.437699      3.772081
  C      -5.374153      7.174360      2.465598
  C      -5.307100      5.895272      3.228767
  O      -6.197832      5.051896      3.117129
  N      -4.172697      5.718332      4.038116
  C      -3.887372      4.471949      4.272877
  C      -6.239805      7.188289      1.366066
  C     -13.294544     -0.671090      2.307916
  C     -12.142851     -0.932456      3.251898
  O     -12.048204     -1.972831      3.840162
  C     -11.113741      0.129548      3.450634
  C     -11.196693      1.373156      2.824809
  C     -10.218751      2.336302      3.042586
  C      -9.151774      2.053930      3.870867
  F      -8.238948      3.036030      4.059714
  C      -9.029396      0.825119      4.515820
  C      -7.923255      0.488667      5.444457
  O      -8.068118     -0.348217      6.296000
  N      -6.697752      1.120019      5.217648
  C      -6.041670      1.530983      6.258594
  C     -10.032155     -0.127864      4.304281
  H      -5.873793      5.339693     -0.813159
  H      -4.113900      5.692163     -0.968693
  H      -4.860561      4.240772     -1.768550
  H      -7.190843      3.475182     -0.575937
  H      -8.626506      1.511367      0.083478
  H      -3.847767     -1.700516      4.532469
  H      -4.049275      2.058796      1.969739
  H      -7.951356     10.214455     -0.820421
  H      -6.637381      9.798974     -1.950775
  H      -8.294941      9.163399     -2.248349
  H      -5.688054     10.334523      0.183145
  H      -4.167171     10.368121      2.158774
  H      -4.504527      3.658379      3.745957
  H      -6.834871      6.294791      1.166219
  H     -13.931797     -1.554090      2.270925
  H     -12.925149     -0.438744      1.301734
  H     -13.894159      0.194000      2.640996
  H     -12.036055      1.607399      2.159787
  H     -10.272363      3.321753      2.573693
  H      -6.533680      1.563576      7.248897
  H      -9.967456     -1.093426      4.805095
  N      -1.953532      1.988795      3.417016
  N      -1.249939      2.001689      2.446234
  H      -0.217284      2.001516      2.592516
89
Coordinates from ORCA-job orca E -6723.991921963651
  N      -2.717676      0.014469      5.238712
  Mo     -3.281608      1.933320      4.735228
  N      -4.762157      1.982629      6.215891
  C      -4.273226      2.665764      7.417491
  C      -2.874785      2.169848      7.750707
  N      -1.970751      2.122140      6.536973
  C      -1.066925      0.920647      6.631801
  C      -1.876992     -0.342694      6.354727
  C      -1.140860      3.372058      6.399946
  C      -2.017573      4.531825      5.941742
  N      -2.972517      3.932812      5.035212
  H      -1.199010     -1.173146      6.108840
  H      -2.483276     -0.649650      7.221785
  H      -0.296181      1.041288      5.861560
  H      -0.581551      0.896097      7.620795
  H      -2.537304      5.025562      6.776711
  H      -1.416222      5.300530      5.432021
  H      -0.633031      3.579379      7.354737
  H      -0.381311      3.159668      5.638649
  H      -4.926559      2.469348      8.281557
  H      -4.283985      3.754060      7.247140
  H      -2.953120      1.146063      8.133737
  H      -2.393465      2.787929      8.522784
  C      -5.021101      4.787374     -0.911490
  C      -4.687195      3.963446      0.318142
  O      -3.659121      4.179806      1.017676
  C      -5.591420      2.841706      0.679960
  C      -6.862787      2.693245      0.140134
  C      -7.634348      1.624522      0.512708
  C      -7.130847      0.689141      1.415319
  F      -7.895409     -0.339299      1.740366
  C      -5.870969      0.811606      1.996369
  C      -5.322052     -0.201210      2.933084
  O      -5.672370     -1.355105      2.986986
  N      -4.280478      0.251834      3.760275
  C      -3.629113     -0.626026      4.532186
  C      -5.122116      1.899505      1.601360
  C      -7.488370      9.545089     -1.440870
  C      -7.195924      8.285085     -0.668507
  O      -7.655801      7.210541     -1.018322
  C      -6.317531      8.366985      0.534930
  C      -5.579167      9.509406      0.860553
  C      -4.738299      9.506978      1.965077
  C      -4.627718      8.359875      2.744920
  F      -3.810884      8.416476      3.809919
  C      -5.357515      7.199243      2.463439
  C      -5.295462      5.907383      3.207057
  O      -6.184747      5.068899      3.079243
  N      -4.164845      5.717303      4.017873
  C      -3.887374      4.469115      4.255301
  C      -6.207142      7.244489      1.355005
  C     -13.278990     -0.744053      2.301976
  C     -12.139296     -0.974034      3.266309
  O     -12.046370     -2.047432      3.917127
  C     -11.110018      0.113126      3.432032
  C     -11.191285      1.368079      2.741650
  C     -10.209816      2.342571      2.935508
  C      -9.135185      2.053158      3.810515
  F      -8.208071      3.019208      3.989236
  C      -9.019638      0.822391      4.510655
  C      -7.913302      0.493844      5.467269
  O      -8.053963     -0.339816      6.373042
  N      -6.694596      1.115415      5.232160
  C      -6.036499      1.539760      6.267693
  C     -10.032180     -0.127877      4.312722
  H      -6.029334      5.239250     -0.848616
  H      -4.273299      5.574723     -1.021892
  H      -5.020961      4.148598     -1.814452
  H      -7.257467      3.419537     -0.573998
  H      -8.627963      1.491185      0.113990
  H      -3.848786     -1.697668      4.566654
  H      -4.108815      2.010508      1.963206
  H      -7.892216     10.325855     -0.786694
  H      -6.567573      9.941469     -1.883157
  H      -8.201801      9.324774     -2.237755
  H      -5.649606     10.408271      0.249152
  H      -4.158502     10.383302      2.238212
  H      -4.506296      3.657535      3.735110
  H      -6.795725      6.362281      1.128963
  H     -13.921145     -1.635171      2.288960
  H     -12.901402     -0.545573      1.287244
  H     -13.871645      0.129735      2.604450
  H     -12.022527      1.583076      2.059114
  H     -10.253416      3.317974      2.430084
  H      -6.521683      1.582718      7.256892
  H      -9.975639     -1.083506      4.847283
  N      -1.957229      1.974419      3.415459
  N      -1.257900      1.979597      2.440209
  H      -0.227356      1.977897      2.584773
89
Coordinates from ORCA-job orca E -6723.989744332946
  N      -2.695987      0.010513      5.244452
  Mo     -3.280971      1.923676      4.732295
  N      -4.761575      1.965718      6.215116
  C      -4.275886      2.655923      7.413055
  C      -2.870624      2.174287      7.746926
  N      -1.969322      2.131111      6.532675
  C      -1.051634      0.938823      6.631824
  C      -1.848980     -0.334644      6.360824
  C      -1.152272      3.389201      6.390007
  C      -2.043141      4.538673      5.929234
  N      -2.994104      3.926580      5.025959
  H      -1.163998     -1.160922      6.117755
  H      -2.450848     -0.643220      7.229695
  H      -0.283421      1.063282      5.860686
  H      -0.564331      0.924921      7.620182
  H      -2.566473      5.029787      6.762984
  H      -1.451252      5.312382      5.416333
  H      -0.644283      3.605791      7.342726
  H      -0.392236      3.181249      5.629355
  H      -4.927028      2.457094      8.277214
  H      -4.296414      3.744396      7.239124
  H      -2.937934      1.150583      8.133673
  H      -2.393048      2.799466      8.515064
  C      -5.021414      4.778609     -0.855956
  C      -4.698289      3.940819      0.357956
  O      -3.737909      4.153008      1.080060
  C      -5.572722      2.811530      0.679806
  C      -6.851805      2.655498      0.124112
  C      -7.637956      1.578744      0.485168
  C      -7.135951      0.643190      1.389197
  F      -7.922964     -0.390352      1.707720
  C      -5.862953      0.773488      1.981433
  C      -5.324038     -0.238807      2.921660
  O      -5.690821     -1.404569      2.968400
  N      -4.269250      0.231490      3.759678
  C      -3.604113     -0.639923      4.538807
  C      -5.103700      1.868875      1.598262
  C      -7.478655      9.575041     -1.456623
  C      -7.196160      8.306303     -0.684707
  O      -7.658690      7.234829     -1.039498
  C      -6.323392      8.379537      0.524516
  C      -5.575205      9.521291      0.850925
  C      -4.736504      9.512881      1.958657
  C      -4.637393      8.360313      2.742034
  F      -3.821712      8.411252      3.810413
  C      -5.377958      7.199464      2.461524
  C      -5.325715      5.902402      3.209905
  O      -6.224239      5.069481      3.084147
  N      -4.193842      5.705090      4.015710
  C      -3.915589      4.455920      4.248207
  C      -6.225703      7.250802      1.349248
  C     -13.256607     -0.695935      2.302149
  C     -12.129490     -0.933015      3.261734
  O     -12.059644     -1.960081      3.876576
  C     -11.099494      0.139430      3.437162
  C     -11.165722      1.367295      2.784165
  C     -10.189923      2.332543      2.976882
  C      -9.127260      2.044761      3.827196
  F      -8.194015      2.974604      4.021563
  C      -9.022874      0.830353      4.499647
  C      -7.922613      0.487788      5.452750
  O      -8.080689     -0.385457      6.380637
  N      -6.697078      1.100261      5.226036
  C      -6.036621      1.517609      6.265349
  C     -10.041994     -0.086826      4.283987
  H      -6.040191      5.211296     -0.825414
  H      -4.309398      5.572934     -0.924143
  H      -4.972852      4.162237     -1.755282
  H      -7.254215      3.385180     -0.584723
  H      -8.651460      1.440418      0.080306
  H      -3.812483     -1.715006      4.575798
  H      -4.093736      1.989532      1.972244
  H      -7.885222     10.358232     -0.801982
  H      -6.555849      9.966427     -1.887494
  H      -8.185908      9.363546     -2.260898
  H      -5.635365     10.424301      0.236439
  H      -4.149204     10.388325      2.232163
  H      -4.528251      3.645096      3.729227
  H      -6.823157      6.369181      1.123213
  H     -13.904885     -1.574504      2.266758
  H     -12.867299     -0.487375      1.307671
  H     -13.843601      0.160316      2.603798
  H     -11.982914      1.572987      2.127488
  H     -10.224570      3.287052      2.497687
  H      -6.524219      1.560439      7.252579
  H      -9.993970     -1.028576      4.795543
  N      -1.954622      1.978568      3.409271
  N      -1.257855      1.990370      2.430571
  H      -0.232029      1.987300      2.573949
89
Coordinates from ORCA-job orca E -6723.992613933651
  N      -2.697109      0.011993      5.237041
  Mo     -3.285809      1.923230      4.728402
  N      -4.767286      1.959747      6.212669
  C      -4.284511      2.647917      7.411213
  C      -2.879314      2.168971      7.742107
  N      -1.976640      2.130395      6.527159
  C      -1.057991      0.941967      6.624220
  C      -1.851520     -0.332977      6.350550
  C      -1.163366      3.390528      6.386465
  C      -2.056072      4.537550      5.927998
  N      -3.005022      3.925239      5.024736
  H      -1.162706     -1.157671      6.104749
  H      -2.454338     -0.646477      7.220030
  H      -0.288923      1.070649      5.851866
  H      -0.571730      0.927471      7.610906
  H      -2.580854      5.026450      6.764051
  H      -1.466348      5.314212      5.415710
  H      -0.656728      3.606419      7.338839
  H      -0.401600      3.185430      5.623804
  H      -4.935716      2.445101      8.276516
  H      -4.307887      3.736135      7.239389
  H      -2.943780      1.144320      8.126698
  H      -2.403401      2.793958      8.511434
  C      -4.930580      4.852572     -0.834846
  C      -4.624883      4.007482      0.364720
  O      -3.657762      4.234714      1.062394
  C      -5.530203      2.846479      0.687846
  C      -6.831886      2.670621      0.132037
  C      -7.645337      1.563841      0.490197
  C      -7.150830      0.623493      1.386567
  F      -7.954530     -0.432584      1.699685
  C      -5.858583      0.770478      1.980345
  C      -5.320160     -0.246419      2.914640
  O      -5.696418     -1.431207      2.948943
  N      -4.266278      0.230999      3.755293
  C      -3.600763     -0.640508      4.531691
  C      -5.073258      1.892361      1.601313
  C      -7.507553      9.522347     -1.466436
  C      -7.228500      8.265296     -0.673480
  O      -7.722313      7.175699     -0.998715
  C      -6.327961      8.361083      0.524562
  C      -5.555609      9.506524      0.827594
  C      -4.699717      9.510410      1.929196
  C      -4.605935      8.368929      2.726973
  F      -3.772374      8.432221      3.787996
  C      -5.368534      7.206421      2.465716
  C      -5.329185      5.916726      3.221209
  O      -6.242312      5.092088      3.102964
  N      -4.196572      5.710711      4.023735
  C      -3.926137      4.458521      4.249771
  C      -6.232158      7.246325      1.362222
  C     -13.290206     -0.684038      2.305460
  C     -12.147390     -0.950353      3.265508
  O     -12.056901     -2.025822      3.882597
  C     -11.115467      0.120664      3.452099
  C     -11.187663      1.357744      2.817580
  C     -10.209912      2.322410      3.018227
  C      -9.149130      2.040996      3.845876
  F      -8.225551      3.004748      4.027907
  C      -9.032660      0.812230      4.509180
  C      -7.930089      0.476096      5.445266
  O      -8.084833     -0.354806      6.308726
  N      -6.703210      1.093557      5.224315
  C      -6.042338      1.509666      6.263931
  C     -10.044911     -0.126012      4.300534
  H      -5.942538      5.284946     -0.788450
  H      -4.195039      5.666075     -0.909311
  H      -4.887955      4.228399     -1.739727
  H      -7.229036      3.401453     -0.572022
  H      -8.662289      1.415960      0.082221
  H      -3.806410     -1.721325      4.566974
  H      -4.048468      2.019652      1.979443
  H      -7.892730     10.326116     -0.813495
  H      -6.577705      9.899405     -1.930127
  H      -8.238057      9.298229     -2.255133
  H      -5.613638     10.399555      0.201913
  H      -4.096039     10.387439      2.185676
  H      -4.541168      3.651599      3.725949
  H      -6.845802      6.363661      1.154062
  H     -13.932438     -1.572704      2.267718
  H     -12.911827     -0.454599      1.286608
  H     -13.887035      0.192752      2.636395
  H     -12.020409      1.585592      2.155933
  H     -10.255850      3.300985      2.540788
  H      -6.532671      1.549837      7.252210
  H      -9.985570     -1.092029      4.813643
  N      -1.961180      1.983178      3.402422
  N      -1.268014      1.997824      2.419632
  H      -0.240571      1.997224      2.557312
89
Coordinates from ORCA-job orca E -6723.993130080211
  N      -2.724230      0.016048      5.230555
  Mo     -3.296565      1.929226      4.721359
  N      -4.770212      1.976582      6.207447
  C      -4.281564      2.663918      7.404605
  C      -2.880778      2.175699      7.732750
  N      -1.979478      2.128338      6.515465
  C      -1.071338      0.932324      6.610867
  C      -1.877520     -0.334991      6.341789
  C      -1.155639      3.381226      6.370348
  C      -2.039227      4.534233      5.912241
  N      -2.996159      3.928860      5.014207
  H      -1.196454     -1.164439      6.095271
  H      -2.479961     -0.643649      7.213684
  H      -0.302750      1.054854      5.835693
  H      -0.582174      0.911609      7.596204
  H      -2.557333      5.028742      6.748668
  H      -1.444693      5.305286      5.396202
  H      -0.644106      3.593372      7.321132
  H      -0.397621      3.170067      5.604527
  H      -4.931452      2.465173      8.272550
  H      -4.298761      3.751394      7.232486
  H      -2.953210      1.152316      8.118881
  H      -2.399987      2.798326      8.502091
  C      -4.932662      4.841277     -0.859483
  C      -4.628732      4.000044      0.348928
  O      -3.603810      4.223040      1.026665
  C      -5.558338      2.860623      0.708613
  C      -6.831617      2.713931      0.172210
  C      -7.622483      1.630050      0.542469
  C      -7.135583      0.683243      1.433875
  F      -7.912094     -0.351607      1.753465
  C      -5.875629      0.800563      2.011976
  C      -5.332715     -0.217575      2.941878
  O      -5.667179     -1.365525      3.005415
  N      -4.292758      0.237132      3.758608
  C      -3.635960     -0.630058      4.530075
  C      -5.111314      1.900824      1.621279
  C      -7.490504      9.529882     -1.446680
  C      -7.205422      8.277607     -0.659104
  O      -7.687844      7.189122     -0.990507
  C      -6.310409      8.372211      0.537924
  C      -5.549754      9.511701      0.848301
  C      -4.699304      9.511888      1.948484
  C      -4.600483      8.373222      2.735937
  F      -3.773158      8.431161      3.795190
  C      -5.352174      7.218103      2.466989
  C      -5.307797      5.931767      3.213496
  O      -6.214851      5.108920      3.094061
  N      -4.175321      5.724285      4.014708
  C      -3.915469      4.471182      4.241883
  C      -6.209745      7.261381      1.365371
  C     -13.316368     -0.764827      2.311051
  C     -12.172633     -0.989489      3.275241
  O     -12.094174     -2.017159      3.921286
  C     -11.130368      0.077503      3.440492
  C     -11.199763      1.318000      2.749904
  C     -10.206242      2.285047      2.942106
  C      -9.137592      2.015589      3.807222
  F      -8.208302      3.007652      3.962067
  C      -9.025486      0.790496      4.518478
  C      -7.922928      0.475073      5.472720
  O      -8.069701     -0.345260      6.368376
  N      -6.699585      1.103958      5.231771
  C      -6.043874      1.532093      6.264353
  C     -10.042886     -0.171176      4.333705
  H      -5.920601      5.298489     -0.794192
  H      -4.166159      5.640623     -0.967196
  H      -4.930720      4.206879     -1.762790
  H      -7.217313      3.445713     -0.533369
  H      -8.607890      1.504968      0.146113
  H      -3.851222     -1.702139      4.569443
  H      -4.094683      2.001031      1.985718
  H      -7.881726     10.325924     -0.797650
  H      -6.560282      9.912770     -1.907094
  H      -8.215912      9.304680     -2.235930
  H      -5.611791     10.402777      0.229695
  H      -4.103955     10.384540      2.210171
  H      -4.540189      3.668884      3.720404
  H      -6.813542      6.383187      1.151092
  H     -13.961796     -1.644698      2.303179
  H     -12.947327     -0.574377      1.298060
  H     -13.906306      0.115774      2.611144
  H     -12.040789      1.539165      2.057733
  H     -10.245228      3.261787      2.427607
  H      -6.530721      1.575720      7.256781
  H      -9.989825     -1.126037      4.878528
  N      -1.984519      1.976368      3.393361
  N      -1.298271      1.983998      2.409363
  H      -0.262696      1.976048      2.538536
89
Coordinates from ORCA-job orca E -6723.993041207937
  N      -2.693975      0.010506      5.245488
  Mo     -3.283903      1.918214      4.727729
  N      -4.763545      1.962615      6.210078
  C      -4.282177      2.659688      7.407720
  C      -2.875958      2.183752      7.742191
  N      -1.973926      2.138192      6.526129
  C      -1.053094      0.950073      6.627663
  C      -1.847043     -0.325896      6.360596
  C      -1.162514      3.398407      6.378264
  C      -2.057215      4.541394      5.914725
  N      -3.006964      3.922389      5.015104
  H      -1.162040     -1.151401      6.119467
  H      -2.447198     -0.631488      7.230600
  H      -0.284790      1.073406      5.855390
  H      -0.566287      0.941167      7.615655
  H      -2.582237      5.034450      6.748217
  H      -1.469078      5.315545      5.398382
  H      -0.655028      3.621073      7.329786
  H      -0.401210      3.190670      5.616543
  H      -4.933435      2.462117      8.273303
  H      -4.306867      3.746747      7.230775
  H      -2.940817      1.162057      8.132463
  H      -2.400466      2.813776      8.508815
  C      -5.070135      4.746675     -0.857619
  C      -4.733852      3.916254      0.362396
  O      -3.737456      4.148069      1.084084
  C      -5.611827      2.779288      0.696785
  C      -6.883431      2.615835      0.147126
  C      -7.638997      1.539051      0.506533
  C      -7.121051      0.610366      1.409305
  F      -7.878898     -0.424073      1.728150
  C      -5.858626      0.747976      1.998908
  C      -5.303143     -0.253276      2.944072
  O      -5.666176     -1.418409      2.997706
  N      -4.259561      0.221306      3.769244
  C      -3.595191     -0.644591      4.546680
  C      -5.126265      1.842982      1.614489
  C      -7.449915      9.601713     -1.440334
  C      -7.172109      8.333942     -0.676486
  O      -7.626253      7.271172     -1.042161
  C      -6.308103      8.398071      0.534397
  C      -5.563191      9.530409      0.868509
  C      -4.731787      9.513309      1.976719
  C      -4.637954      8.361268      2.752430
  F      -3.829703      8.402333      3.821262
  C      -5.376098      7.210822      2.464719
  C      -5.328967      5.915527      3.207489
  O      -6.226813      5.087335      3.078698
  N      -4.197173      5.709083      4.011802
  C      -3.931084      4.455230      4.239218
  C      -6.216658      7.270408      1.352044
  C     -13.240111     -0.675886      2.291103
  C     -12.108176     -0.935510      3.261258
  O     -12.022216     -2.000362      3.901969
  C     -11.085773      0.138021      3.430052
  C     -11.159993      1.379033      2.767962
  C     -10.184931      2.337905      2.965663
  C      -9.118769      2.040818      3.821541
  F      -8.195251      2.983427      4.009053
  C      -9.012575      0.830107      4.488706
  C      -7.918061      0.493665      5.433906
  O      -8.080367     -0.355937      6.326079
  N      -6.688959      1.098918      5.212353
  C      -6.036340      1.516297      6.255569
  C     -10.022474     -0.098501      4.283595
  H      -6.094914      5.181306     -0.813440
  H      -4.342021      5.550235     -0.936097
  H      -5.033785      4.117336     -1.771276
  H      -7.297026      3.338339     -0.561726
  H      -8.644566      1.395164      0.105412
  H      -3.800094     -1.721151      4.591240
  H      -4.110329      1.968794      1.984030
  H      -7.859898     10.377949     -0.788464
  H      -6.523050      9.993981     -1.862010
  H      -8.150576      9.395780     -2.248817
  H      -5.618980     10.433109      0.259285
  H      -4.146278     10.381970      2.255642
  H      -4.545789      3.649278      3.718257
  H      -6.813681      6.395798      1.121052
  H     -13.878670     -1.565703      2.264826
  H     -12.845244     -0.460974      1.271251
  H     -13.847894      0.205554      2.604526
  H     -11.981442      1.592898      2.106166
  H     -10.224576      3.302929      2.482464
  H      -6.528608      1.561190      7.240515
  H      -9.971052     -1.040855      4.795204
  N      -1.962190      1.974466      3.401689
  N      -1.276064      1.985511      2.418668
  H      -0.246779      1.982050      2.550068
89
Coordinates from ORCA-job orca E -6723.990498646125
  N      -2.667949      0.014086      5.252571
  Mo     -3.272543      1.919030      4.733916
  N      -4.756817      1.949631      6.217963
  C      -4.280712      2.644819      7.415396
  C      -2.871119      2.179147      7.748537
  N      -1.966855      2.143688      6.533703
  C      -1.038008      0.963358      6.636981
  C      -1.820311     -0.319401      6.367517
  C      -1.164143      3.410569      6.388080
  C      -2.066036      4.547769      5.925635
  N      -3.010978      3.924140      5.024227
  H      -1.125864     -1.139694      6.124625
  H      -2.420797     -0.633840      7.237608
  H      -0.269352      1.094051      5.865056
  H      -0.553157      0.959249      7.624616
  H      -2.594329      5.035962      6.760165
  H      -1.483344      5.327331      5.410186
  H      -0.659243      3.635025      7.339788
  H      -0.400871      3.208066      5.626477
  H      -4.930835      2.438745      8.280665
  H      -4.313156      3.732638      7.241001
  H      -2.927265      1.155491      8.136621
  H      -2.400342      2.810783      8.515847
  C      -5.067167      4.801533     -0.842144
  C      -4.731233      3.966428      0.362798
  O      -3.784991      4.199202      1.062192
  C      -5.598624      2.798609      0.689694
  C      -6.891913      2.597618      0.135546
  C      -7.666405      1.483854      0.494292
  C      -7.143545      0.558793      1.394463
  F      -7.915681     -0.508530      1.711872
  C      -5.852970      0.732781      1.986750
  C      -5.289394     -0.270890      2.926924
  O      -5.668262     -1.474297      2.954091
  N      -4.237255      0.219358      3.766957
  C      -3.565069     -0.649017      4.548180
  C      -5.106321      1.862874      1.604607
  C      -7.449968      9.582452     -1.463454
  C      -7.190445      8.318256     -0.676180
  O      -7.688772      7.242541     -1.011932
  C      -6.297347      8.398074      0.526256
  C      -5.515928      9.536347      0.834237
  C      -4.664426      9.530729      1.939894
  C      -4.583906      8.384799      2.738975
  F      -3.752496      8.438745      3.804409
  C      -5.355684      7.228088      2.474309
  C      -5.327267      5.935651      3.231203
  O      -6.246899      5.118910      3.113203
  N      -4.196930      5.717621      4.032822
  C      -3.934838      4.460287      4.251356
  C      -6.216215      7.277283      1.365556
  C     -13.281340     -0.686406      2.274721
  C     -12.144931     -0.945250      3.231429
  O     -12.065487     -1.994249      3.829860
  C     -11.112737      0.132283      3.424222
  C     -11.189472      1.389653      2.788540
  C     -10.211544      2.361056      2.995705
  C      -9.143819      2.057408      3.836635
  F      -8.218295      3.015640      4.034419
  C      -9.027332      0.811336      4.497276
  C      -7.918130      0.447866      5.454371
  O      -8.070174     -0.428808      6.360158
  N      -6.691745      1.075494      5.228261
  C      -6.031647      1.493151      6.266223
  C     -10.041814     -0.124170      4.276894
  H      -6.093333      5.213774     -0.792514
  H      -4.357119      5.620643     -0.919223
  H      -5.018723      4.180402     -1.747529
  H      -7.307956      3.318979     -0.570967
  H      -8.683894      1.313330      0.088636
  H      -3.762480     -1.735153      4.589389
  H      -4.082519      2.015457      1.977201
  H      -7.830363     10.386889     -0.808205
  H      -6.514900      9.952552     -1.918221
  H      -8.176956      9.369133     -2.258102
  H      -5.562618     10.432642      0.207960
  H      -4.053063     10.403271      2.199773
  H      -4.550267      3.660897      3.723998
  H      -6.837906      6.399530      1.153346
  H     -13.926323     -1.574502      2.222860
  H     -12.906700     -0.451659      1.274398
  H     -13.865104      0.167543      2.604313
  H     -12.021679      1.624501      2.126556
  H     -10.258339      3.350395      2.522144
  H      -6.522770      1.530692      7.254525
  H      -9.981658     -1.101580      4.786383
  N      -1.950292      1.987273      3.405005
  N      -1.264883      2.004984      2.416704
  H      -0.235397      2.008746      2.547319
89
Coordinates from ORCA-job orca E -6723.992051642736
  N      -2.707201      0.014445      5.240887
  Mo     -3.299741      1.918451      4.718532
  N      -4.774189      1.962616      6.204615
  C      -4.288676      2.658653      7.396960
  C      -2.882865      2.184116      7.727392
  N      -1.982429      2.137856      6.510897
  C      -1.061505      0.951804      6.613655
  C      -1.855590     -0.324088      6.353209
  C      -1.170958      3.396853      6.358155
  C      -2.067632      4.538528      5.895405
  N      -3.021026      3.920625      5.001598
  H      -1.167444     -1.149818      6.111008
  H      -2.454613     -0.632233      7.227791
  H      -0.295009      1.076761      5.837624
  H      -0.570860      0.942334      7.598563
  H      -2.588447      5.031950      6.729473
  H      -1.482247      5.312740      5.374709
  H      -0.660494      3.619005      7.307202
  H      -0.412443      3.188781      5.593925
  H      -4.935568      2.459371      8.265880
  H      -4.314891      3.745182      7.219271
  H      -2.945417      1.162030      8.119424
  H      -2.406657      2.814486      8.491817
  C      -4.930258      4.857621     -0.826930
  C      -4.626875      4.004850      0.370713
  O      -3.627321      4.224732      1.050512
  C      -5.545027      2.848160      0.709121
  C      -6.832526      2.684014      0.160315
  C      -7.641161      1.575366      0.523544
  C      -7.154986      0.626752      1.415412
  F      -7.950058     -0.426165      1.729915
  C      -5.877581      0.761580      2.001926
  C      -5.332212     -0.252612      2.935031
  O      -5.653242     -1.402816      3.007362
  N      -4.286332      0.215866      3.758498
  C      -3.617735     -0.644631      4.539599
  C      -5.099060      1.884465      1.618243
  C      -7.459302      9.578170     -1.462040
  C      -7.191877      8.316255     -0.670754
  O      -7.691555      7.221739     -1.002413
  C      -6.294856      8.403635      0.532138
  C      -5.514037      9.541433      0.844962
  C      -4.663332      9.532746      1.951027
  C      -4.582601      8.387289      2.741997
  F      -3.752898      8.437459      3.806871
  C      -5.354955      7.233253      2.469776
  C      -5.330777      5.940244      3.215378
  O      -6.253124      5.128352      3.094778
  N      -4.197660      5.716555      4.011214
  C      -3.944387      4.461482      4.232736
  C      -6.213001      7.286504      1.363982
  C     -13.326032     -0.762014      2.328816
  C     -12.184875     -0.988260      3.285569
  O     -12.109862     -2.030780      3.928240
  C     -11.134911      0.075372      3.449800
  C     -11.187602      1.285288      2.784317
  C     -10.190483      2.247888      2.966975
  C      -9.133642      1.994314      3.805845
  F      -8.190923      2.965677      3.958343
  C      -9.032934      0.785918      4.508404
  C      -7.931897      0.471088      5.460627
  O      -8.080817     -0.332513      6.333313
  N      -6.705013      1.085828      5.225730
  C      -6.049421      1.517338      6.260965
  C     -10.060786     -0.157431      4.319303
  H      -5.923800      5.302315     -0.766536
  H      -4.181414      5.660483     -0.912964
  H      -4.908638      4.243183     -1.731825
  H      -7.220377      3.417821     -0.542771
  H      -8.638802      1.441280      0.120331
  H      -3.822831     -1.718061      4.582862
  H      -4.085262      1.995806      1.991465
  H      -7.843979     10.384822     -0.809652
  H      -6.522431      9.950551     -1.921289
  H      -8.187069      9.361572     -2.255343
  H      -5.561829     10.436252      0.223963
  H      -4.054209     10.402733      2.214856
  H      -4.569890      3.663986      3.708877
  H      -6.832123      6.411849      1.148882
  H     -13.975046     -1.642212      2.320027
  H     -12.956636     -0.569285      1.323241
  H     -13.909370      0.108482      2.631200
  H     -12.019292      1.493827      2.112412
  H     -10.219282      3.200112      2.467668
  H      -6.540407      1.568565      7.250297
  H     -10.017825     -1.100559      4.856435
  N      -1.990149      1.972359      3.385528
  N      -1.308129      1.982498      2.394573
  H      -0.275061      1.973642      2.519131
89
Coordinates from ORCA-job orca E -6723.994840693445
  N      -2.699783      0.009435      5.240250
  Mo     -3.293862      1.913444      4.716416
  N      -4.770419      1.958832      6.201042
  C      -4.290876      2.659206      7.395823
  C      -2.883377      2.188489      7.728363
  N      -1.982250      2.141910      6.511055
  C      -1.059136      0.956788      6.615681
  C      -1.850132     -0.322563      6.354150
  C      -1.174001      3.403807      6.357464
  C      -2.071735      4.542816      5.892262
  N      -3.022291      3.919302      4.997534
  H      -1.162669     -1.147522      6.113226
  H      -2.448569     -0.628895      7.227127
  H      -0.291403      1.080214      5.841500
  H      -0.571545      0.952437      7.602670
  H      -2.596161      5.038048      6.725504
  H      -1.486555      5.317414      5.371491
  H      -0.665283      3.630378      7.306712
  H      -0.413158      3.195089      5.593986
  H      -4.940931      2.460304      8.263114
  H      -4.319733      3.745917      7.216983
  H      -2.944643      1.167221      8.121289
  H      -2.408292      2.822053      8.492428
  C      -5.004448      4.775538     -0.836308
  C      -4.676249      3.935074      0.369377
  O      -3.658618      4.174879      1.071074
  C      -5.568997      2.789242      0.712861
  C      -6.838318      2.627774      0.171722
  C      -7.611611      1.542372      0.535331
  C      -7.110535      0.607488      1.431216
  F      -7.879954     -0.428347      1.751928
  C      -5.851953      0.740974      2.013505
  C      -5.305126     -0.262809      2.952147
  O      -5.668859     -1.421329      3.009616
  N      -4.262965      0.210432      3.769593
  C      -3.599285     -0.649393      4.544575
  C      -5.102350      1.842152      1.626135
  C      -7.459206      9.595717     -1.431970
  C      -7.182717      8.334586     -0.662129
  O      -7.650500      7.265661     -1.017238
  C      -6.307360      8.403437      0.542677
  C      -5.554100      9.529474      0.871079
  C      -4.717307      9.510742      1.974589
  C      -4.626843      8.364917      2.749150
  F      -3.813895      8.403382      3.812996
  C      -5.372855      7.222389      2.465321
  C      -5.333630      5.931604      3.205378
  O      -6.240605      5.113105      3.080234
  N      -4.201998      5.714829      4.006252
  C      -3.947689      4.457792      4.226139
  C      -6.217303      7.283888      1.358828
  C     -13.268874     -0.696070      2.309105
  C     -12.132412     -0.954552      3.284846
  O     -12.053614     -1.994872      3.932672
  C     -11.102051      0.112426      3.443876
  C     -11.180405      1.363117      2.756557
  C     -10.201766      2.324831      2.938855
  C      -9.132059      2.029443      3.799145
  F      -8.209358      2.989550      3.963865
  C      -9.017863      0.806045      4.495637
  C      -7.923674      0.479008      5.439382
  O      -8.088874     -0.349665      6.330989
  N      -6.693907      1.088812      5.209621
  C      -6.042328      1.510684      6.249830
  C     -10.028645     -0.134330      4.311315
  H      -6.011961      5.213783     -0.779329
  H      -4.265384      5.583731     -0.921648
  H      -4.979223      4.150408     -1.746872
  H      -7.240682      3.353849     -0.533253
  H      -8.609901      1.404229      0.140005
  H      -3.801008     -1.723969      4.593003
  H      -4.088002      1.959868      1.993339
  H      -7.857784     10.376814     -0.781452
  H      -6.530153      9.982005     -1.867277
  H      -8.170210      9.386520     -2.232419
  H      -5.608266     10.427066      0.261897
  H      -4.125984     10.373856      2.249533
  H      -4.568050      3.658690      3.704375
  H      -6.819167      6.415036      1.131742
  H     -13.910809     -1.579072      2.290403
  H     -12.880774     -0.492284      1.280697
  H     -13.872344      0.200744      2.618819
  H     -12.015477      1.593232      2.077985
  H     -10.249784      3.309925      2.427411
  H      -6.533935      1.554520      7.236917
  H      -9.970431     -1.091192      4.848270
  N      -1.979091      1.968930      3.384814
  N      -1.301959      1.978446      2.396700
  H      -0.269392      1.973227      2.519017
89
Coordinates from ORCA-job orca E -6723.991880798932
  N      -2.667306      0.018600      5.259616
  Mo     -3.274028      1.920410      4.735557
  N      -4.753533      1.955744      6.221683
  C      -4.275845      2.656294      7.415431
  C      -2.865350      2.193535      7.746090
  N      -1.963270      2.154207      6.528767
  C      -1.033265      0.975707      6.633690
  C      -1.814432     -0.309446      6.372540
  C      -1.162914      3.421595      6.374624
  C      -2.067703      4.555001      5.911057
  N      -3.015808      3.926484      5.017068
  H      -1.118915     -1.128473      6.129466
  H      -2.410585     -0.623047      7.246001
  H      -0.268263      1.104734      5.858153
  H      -0.544833      0.975270      7.619326
  H      -2.592808      5.045547      6.745560
  H      -1.489280      5.333862      5.389443
  H      -0.654702      3.649991      7.323382
  H      -0.402632      3.217774      5.610343
  H      -4.922525      2.451700      8.283589
  H      -4.310754      3.743352      7.237489
  H      -2.919249      1.171798      8.138862
  H      -2.393924      2.829118      8.510336
  C      -5.162776      4.766366     -0.825337
  C      -4.809873      3.937015      0.384789
  O      -3.822964      4.173305      1.086702
  C      -5.668951      2.770329      0.720730
  C      -6.945735      2.569677      0.174109
  C      -7.677717      1.465792      0.527302
  C      -7.133108      0.545589      1.422017
  F      -7.862009     -0.517583      1.733309
  C      -5.865178      0.718721      2.010497
  C      -5.286198     -0.281326      2.947978
  O      -5.640660     -1.481578      2.976111
  N      -4.240010      0.209693      3.777829
  C      -3.564433     -0.650309      4.561111
  C      -5.157400      1.839904      1.631518
  C      -7.424548      9.608676     -1.450696
  C      -7.182575      8.343888     -0.662146
  O      -7.699302      7.279617     -0.991716
  C      -6.283255      8.415884      0.533400
  C      -5.484339      9.545140      0.829779
  C      -4.627103      9.535972      1.928555
  C      -4.558753      8.393739      2.732025
  F      -3.720090      8.443249      3.790367
  C      -5.346861      7.245897      2.479745
  C      -5.326735      5.957517      3.243926
  O      -6.255362      5.151550      3.142269
  N      -4.193236      5.730929      4.037056
  C      -3.942563      4.469068      4.249167
  C      -6.213728      7.298380      1.376913
  C     -13.278739     -0.680112      2.209868
  C     -12.153005     -0.929329      3.179726
  O     -12.084290     -2.005770      3.805478
  C     -11.101723      0.134435      3.387489
  C     -11.153619      1.374925      2.755087
  C     -10.154138      2.324892      2.986952
  C      -9.091427      2.023399      3.844217
  F      -8.148973      2.971773      4.060406
  C      -9.003485      0.799791      4.493916
  C      -7.905556      0.441872      5.457042
  O      -8.066496     -0.433631      6.369522
  N      -6.680253      1.072815      5.237283
  C      -6.026738      1.500546      6.271187
  C     -10.032563     -0.125113      4.258933
  H      -6.192085      5.181061     -0.762566
  H      -4.445695      5.588480     -0.917376
  H      -5.129062      4.135353     -1.737254
  H      -7.370823      3.288058     -0.531482
  H      -8.676455      1.290081      0.124106
  H      -3.760971     -1.737885      4.608534
  H      -4.134948      1.996283      1.997575
  H      -7.788937     10.421816     -0.794521
  H      -6.484099      9.963976     -1.913921
  H      -8.158655      9.400591     -2.240046
  H      -5.521354     10.439205      0.199195
  H      -4.001136     10.403288      2.179539
  H      -4.563754      3.678035      3.724054
  H      -6.849090      6.425991      1.172537
  H     -13.933033     -1.560813      2.152724
  H     -12.899775     -0.454889      1.219633
  H     -13.852544      0.173845      2.528405
  H     -11.979400      1.604409      2.086173
  H     -10.176113      3.292978      2.525661
  H      -6.518422      1.546163      7.257128
  H      -9.994366     -1.078311      4.756925
  N      -1.964309      1.984592      3.398267
  N      -1.293089      1.998865      2.402643
  H      -0.261179      1.995963      2.520096
89
Coordinates from ORCA-job orca E -6723.991540482907
  N      -2.670418      0.016263      5.254206
  Mo     -3.283521      1.912930      4.723344
  N      -4.770802      1.946578      6.200921
  C      -4.297612      2.648285      7.396169
  C      -2.887585      2.189505      7.734924
  N      -1.979666      2.151053      6.522791
  C      -1.044593      0.976234      6.633430
  C      -1.821380     -0.310077      6.370386
  C      -1.182476      3.419767      6.372528
  C      -2.091097      4.549800      5.904191
  N      -3.034343      3.919348      5.005310
  H      -1.122862     -1.128522      6.131993
  H      -2.420948     -0.623308      7.241981
  H      -0.275011      1.107412      5.861442
  H      -0.559479      0.977028      7.621115
  H      -2.621828      5.039001      6.735880
  H      -1.512581      5.330024      5.385804
  H      -0.679521      3.650312      7.324258
  H      -0.417412      3.218643      5.612915
  H      -4.947617      2.443508      8.261447
  H      -4.333467      3.734428      7.217789
  H      -2.940731      1.167669      8.128536
  H      -2.421752      2.826928      8.500377
  C      -5.040818      4.805541     -0.843818
  C      -4.720872      3.962004      0.356777
  O      -3.779095      4.185454      1.045892
  C      -5.604497      2.791047      0.685280
  C      -6.907956      2.589961      0.132061
  C      -7.689891      1.468143      0.495863
  C      -7.163995      0.537814      1.394818
  F      -7.942056     -0.532593      1.715242
  C      -5.864913      0.710426      1.983405
  C      -5.284319     -0.289095      2.924103
  O      -5.588394     -1.459253      2.993330
  N      -4.243666      0.201045      3.757728
  C      -3.565348     -0.653490      4.549161
  C      -5.117814      1.847756      1.598558
  C      -7.372568      9.661916     -1.471322
  C      -7.124884      8.387172     -0.692235
  O      -7.612782      7.311621     -1.048753
  C      -6.256482      8.450446      0.528921
  C      -5.481998      9.582307      0.865426
  C      -4.651681      9.558704      1.985971
  C      -4.584502      8.401835      2.770863
  F      -3.773468      8.438239      3.851142
  C      -5.352396      7.251478      2.477462
  C      -5.338760      5.949946      3.216940
  O      -6.261357      5.141088      3.082072
  N      -4.211134      5.718115      4.019915
  C      -3.959308      4.459160      4.234445
  C      -6.191496      7.319434      1.355690
  C     -13.306359     -0.746837      2.361815
  C     -12.155129     -0.992592      3.302953
  O     -12.069941     -2.018452      3.920170
  C     -11.121081      0.081106      3.453453
  C     -11.192649      1.312943      2.790801
  C     -10.206731      2.281479      2.960831
  C      -9.144801      2.010725      3.786061
  F      -8.212599      2.978643      3.930375
  C      -9.034539      0.789375      4.480879
  C      -7.928126      0.455077      5.437414
  O      -8.080674     -0.386216      6.338651
  N      -6.699203      1.069521      5.204984
  C      -6.046621      1.495280      6.247954
  C     -10.051381     -0.153367      4.298444
  H      -6.055712      5.227942     -0.793110
  H      -4.319569      5.620051     -0.922931
  H      -4.998398      4.188481     -1.749759
  H      -7.323056      3.312849     -0.573935
  H      -8.705573      1.301898      0.092102
  H      -3.756466     -1.731806      4.594102
  H      -4.093086      1.995294      1.969413
  H      -7.770080     10.458032     -0.817857
  H      -6.431543     10.036369     -1.898260
  H      -8.079765      9.462945     -2.283849
  H      -5.517736     10.485504      0.250031
  H      -4.047508     10.424514      2.267888
  H      -4.579629      3.667183      3.703297
  H      -6.807226      6.448839      1.121995
  H     -13.943610     -1.641092      2.358419
  H     -12.936481     -0.534437      1.334992
  H     -13.908667      0.133169      2.687233
  H     -12.021209      1.525030      2.139652
  H     -10.247155      3.244529      2.466538
  H      -6.544732      1.543024      7.234489
  H      -9.998590     -1.105346      4.829287
  N      -1.967442      1.980608      3.392916
  N      -1.286207      1.997089      2.400098
  H      -0.255257      1.996099      2.524312
89
Coordinates from ORCA-job orca E -6723.992033088711
  N      -2.702076      0.007261      5.244316
  Mo     -3.301749      1.907053      4.711087
  N      -4.776110      1.954715      6.194825
  C      -4.296924      2.658766      7.386397
  C      -2.888302      2.193126      7.719895
  N      -1.987798      2.144956      6.502850
  C      -1.061406      0.963632      6.613120
  C      -1.848531     -0.318510      6.358375
  C      -1.183167      3.407802      6.342237
  C      -2.084682      4.542229      5.873531
  N      -3.036228      3.913997      4.983514
  H      -1.158740     -1.141474      6.119597
  H      -2.444358     -0.624454      7.233756
  H      -0.295124      1.086236      5.837541
  H      -0.572600      0.965342      7.599547
  H      -2.607847      5.039368      6.705359
  H      -1.503338      5.316309      5.347960
  H      -0.673059      3.639018      7.289367
  H      -0.423846      3.197858      5.578428
  H      -4.945119      2.460107      8.254911
  H      -4.328677      3.744499      7.204364
  H      -2.945908      1.173118      8.117002
  H      -2.414553      2.830131      8.480851
  C      -4.973374      4.802993     -0.803787
  C      -4.648321      3.951449      0.393616
  O      -3.628333      4.183567      1.083722
  C      -5.542546      2.799638      0.730457
  C      -6.814015      2.635078      0.182961
  C      -7.601790      1.530812      0.542346
  C      -7.112710      0.587554      1.434677
  F      -7.893106     -0.460269      1.750164
  C      -5.850969      0.724877      2.021698
  C      -5.306607     -0.280790      2.957860
  O      -5.656271     -1.439539      3.014327
  N      -4.267293      0.194334      3.772211
  C      -3.602065     -0.659271      4.550683
  C      -5.086680      1.843011      1.639113
  C      -7.452924      9.614122     -1.436206
  C      -7.188483      8.351420     -0.656757
  O      -7.682727      7.271341     -0.999511
  C      -6.297929      8.421846      0.544116
  C      -5.521837      9.544198      0.863964
  C      -4.675766      9.521410      1.965849
  C      -4.598001      8.376562      2.745666
  F      -3.775351      8.411182      3.807407
  C      -5.366311      7.238538      2.468140
  C      -5.342790      5.947877      3.209387
  O      -6.266868      5.142195      3.092468
  N      -4.209102      5.716264      4.003034
  C      -3.962297      4.457541      4.216475
  C      -6.218534      7.305023      1.365328
  C     -13.288274     -0.737216      2.337705
  C     -12.151368     -0.969546      3.301162
  O     -12.068623     -2.006437      3.951299
  C     -11.117975      0.098292      3.449460
  C     -11.202037      1.339898      2.758627
  C     -10.223645      2.304365      2.925360
  C      -9.149293      2.022280      3.773812
  F      -8.225701      2.982214      3.923710
  C      -9.023617      0.800083      4.482848
  C      -7.920268      0.476857      5.423314
  O      -8.070844     -0.315262      6.281475
  N      -6.696820      1.082911      5.200454
  C      -6.047156      1.506975      6.243531
  C     -10.038461     -0.139321      4.308530
  H      -5.976089      5.242026     -0.740402
  H      -4.231413      5.607703     -0.882055
  H      -4.950810      4.191604     -1.718372
  H      -7.209498      3.365245     -0.518932
  H      -8.596059      1.395787      0.141572
  H      -3.800887     -1.732741      4.604267
  H      -4.080030      1.956704      2.011868
  H      -7.835266     10.409435     -0.785012
  H      -6.519178      9.986475     -1.886015
  H      -8.176233      9.406096     -2.230201
  H      -5.566423     10.439902      0.250735
  H      -4.068440     10.380148      2.234717
  H      -4.589042      3.664636      3.693584
  H      -6.835363      6.441187      1.144867
  H     -13.935334     -1.610720      2.315382
  H     -12.913773     -0.540326      1.333003
  H     -13.872438      0.135693      2.638335
  H     -12.043622      1.559522      2.088692
  H     -10.277540      3.284338      2.408313
  H      -6.541478      1.554718      7.229654
  H      -9.973199     -1.096737      4.854712
  N      -1.994413      1.961721      3.372293
  N      -1.324530      1.969811      2.376872
  H      -0.289403      1.960113      2.491123
89
Coordinates from ORCA-job orca E -6723.991155484441
  N      -2.682030      0.014886      5.253828
  Mo     -3.289672      1.911077      4.720462
  N      -4.766469      1.955557      6.210578
  C      -4.286530      2.662823      7.398687
  C      -2.874441      2.203254      7.726404
  N      -1.975258      2.156800      6.507288
  C      -1.043377      0.979942      6.616412
  C      -1.825395     -0.307573      6.366000
  C      -1.176631      3.424097      6.344132
  C      -2.084318      4.553688      5.878117
  N      -3.035165      3.920141      4.990584
  H      -1.130932     -1.127477      6.124517
  H      -2.418528     -0.615356      7.242996
  H      -0.281077      1.105079      5.837402
  H      -0.550859      0.985886      7.600456
  H      -2.607229      5.048387      6.711637
  H      -1.508000      5.330632      5.350553
  H      -0.666735      3.657814      7.290680
  H      -0.417721      3.216871      5.578776
  H      -4.929967      2.461692      8.270133
  H      -4.324016      3.749378      7.215462
  H      -2.925640      1.183443      8.124835
  H      -2.400760      2.843876      8.485289
  C      -5.096030      4.772504     -0.815903
  C      -4.743098      3.940632      0.388915
  O      -3.709342      4.198954      1.086517
  C      -5.618482      2.772386      0.735272
  C      -6.882681      2.589361      0.200620
  C      -7.637843      1.492544      0.556293
  C      -7.116732      0.563977      1.443245
  F      -7.866420     -0.488064      1.758784
  C      -5.860845      0.717220      2.020081
  C      -5.301554     -0.289819      2.945765
  O      -5.649226     -1.466402      2.978479
  N      -4.254904      0.197669      3.772695
  C      -3.581556     -0.656440      4.555873
  C      -5.132385      1.830146      1.640619
  C      -7.418672      9.626683     -1.438694
  C      -7.167747      8.363974     -0.659319
  O      -7.664150      7.308637     -1.000847
  C      -6.284948      8.426334      0.540511
  C      -5.506131      9.544929      0.850838
  C      -4.662965      9.526107      1.950405
  C      -4.590574      8.384718      2.739021
  F      -3.767717      8.422972      3.798555
  C      -5.359957      7.248490      2.473356
  C      -5.336463      5.960548      3.226303
  O      -6.259669      5.159349      3.117692
  N      -4.204021      5.728776      4.017655
  C      -3.963639      4.465528      4.225709
  C      -6.212371      7.310215      1.370071
  C     -13.297221     -0.684245      2.239855
  C     -12.166049     -0.951174      3.223391
  O     -12.107415     -2.012514      3.877278
  C     -11.108607      0.111281      3.406016
  C     -11.138850      1.334815      2.750379
  C     -10.132291      2.287036      2.962520
  C      -9.076952      1.992961      3.831774
  F      -8.126815      2.945648      4.023856
  C      -9.008637      0.779276      4.510890
  C      -7.927695      0.442287      5.476743
  O      -8.104990     -0.416165      6.398487
  N      -6.696290      1.067864      5.242311
  C      -6.040133      1.507618      6.266259
  C     -10.044998     -0.147370      4.294569
  H      -6.108299      5.190072     -0.746403
  H      -4.378345      5.595751     -0.916797
  H      -5.070880      4.143595     -1.717076
  H      -7.291387      3.314595     -0.501139
  H      -8.634713      1.328749      0.160400
  H      -3.776133     -1.741018      4.603967
  H      -4.115212      1.971362      2.002266
  H      -7.798127     10.422628     -0.788110
  H      -6.483704      9.992622     -1.883753
  H      -8.137974      9.422617     -2.234996
  H      -5.546675     10.439542      0.230545
  H      -4.052146     10.385930      2.212545
  H      -4.591105      3.679386      3.703355
  H      -6.834180      6.444617      1.154740
  H     -13.950382     -1.577472      2.219535
  H     -12.899833     -0.476770      1.206674
  H     -13.894517      0.217464      2.553298
  H     -11.963962      1.567048      2.065222
  H     -10.138782      3.253049      2.477580
  H      -6.528163      1.565621      7.251455
  H     -10.022199     -1.097145      4.816775
  N      -1.986862      1.966484      3.379293
  N      -1.323796      1.974788      2.380338
  H      -0.292494      1.964804      2.490739
89
Coordinates from ORCA-job orca E -6723.994069405428
  N      -2.657980      0.016958      5.259704
  Mo     -3.278230      1.910299      4.725662
  N      -4.766379      1.941483      6.201638
  C      -4.297293      2.647381      7.397358
  C      -2.884515      2.195687      7.736252
  N      -1.976213      2.159021      6.523344
  C      -1.035867      0.988748      6.635528
  C      -1.806724     -0.302190      6.374858
  C      -1.185576      3.431357      6.369846
  C      -2.099416      4.555816      5.900520
  N      -3.041075      3.918912      5.004134
  H      -1.105658     -1.117723      6.136341
  H      -2.403132     -0.616392      7.247270
  H      -0.267416      1.120807      5.862958
  H      -0.550762      0.994817      7.622861
  H      -2.631701      5.044573      6.732253
  H      -1.525378      5.337978      5.380062
  H      -0.682977      3.666556      7.320428
  H      -0.420142      3.232160      5.609586
  H      -4.946696      2.440680      8.262854
  H      -4.338658      3.733224      7.218229
  H      -2.933127      1.174688      8.131746
  H      -2.421560      2.836879      8.500785
  C      -5.150560      4.765749     -0.806359
  C      -4.807104      3.925907      0.394571
  O      -3.849374      4.157611      1.100860
  C      -5.663631      2.753841      0.716392
  C      -6.955792      2.547019      0.165100
  C      -7.693514      1.434360      0.517216
  C      -7.141345      0.513066      1.411578
  F      -7.879370     -0.554163      1.724127
  C      -5.856946      0.690521      2.000177
  C      -5.259516     -0.304384      2.937923
  O      -5.567211     -1.482758      2.992142
  N      -4.223754      0.191525      3.768944
  C      -3.543606     -0.656624      4.560539
  C      -5.148130      1.820198      1.624366
  C      -7.365488      9.672125     -1.459298
  C      -7.140695      8.397468     -0.673259
  O      -7.666253      7.330625     -1.010950
  C      -6.251029      8.457415      0.534054
  C      -5.446173      9.581472      0.848511
  C      -4.601029      9.557490      1.958308
  C      -4.549217      8.406290      2.753578
  F      -3.722986      8.441998      3.823331
  C      -5.344340      7.263353      2.482104
  C      -5.343988      5.967010      3.235852
  O      -6.280091      5.168875      3.120801
  N      -4.213145      5.725173      4.030691
  C      -3.969026      4.461630      4.236498
  C      -6.198752      7.331601      1.370211
  C     -13.276471     -0.705797      2.312641
  C     -12.131597     -0.957195      3.263915
  O     -12.039998     -2.011933      3.902792
  C     -11.097547      0.099553      3.423255
  C     -11.179785      1.342937      2.751973
  C     -10.194621      2.291530      2.933434
  C      -9.123549      2.000000      3.772460
  F      -8.195837      2.952558      3.926945
  C      -9.011295      0.782958      4.461403
  C      -7.916370      0.451839      5.414146
  O      -8.085459     -0.411972      6.329331
  N      -6.684544      1.065049      5.193969
  C      -6.040276      1.488480      6.241929
  C     -10.022571     -0.148247      4.276314
  H      -6.177976      5.180063     -0.751475
  H      -4.436304      5.587128     -0.884716
  H      -5.106809      4.145345     -1.721195
  H      -7.390747      3.264825     -0.537461
  H      -8.701183      1.257362      0.113477
  H      -3.728311     -1.735651      4.610435
  H      -4.124720      1.979271      1.993548
  H      -7.732810     10.487331     -0.801203
  H      -6.416249     10.022514     -1.910201
  H      -8.093029      9.476094     -2.258852
  H      -5.471006     10.481133      0.225005
  H      -3.973574     10.419375      2.224383
  H      -4.589637      3.675299      3.704695
  H      -6.838246      6.465609      1.152396
  H     -13.917877     -1.566103      2.286047
  H     -12.913535     -0.498611      1.322394
  H     -13.859891      0.148113      2.619975
  H     -12.017072      1.574154      2.089500
  H     -10.241391      3.265139      2.435272
  H      -6.544315      1.535350      7.225163
  H      -9.967178     -1.094771      4.802249
  N      -1.963642      1.983855      3.389786
  N      -1.292575      2.002254      2.393324
  H      -0.261145      2.001534      2.509244
89
Coordinates from ORCA-job orca E -6723.992339643753
  N      -2.684973      0.012713      5.262845
  Mo     -3.293035      1.907559      4.718794
  N      -4.768662      1.955239      6.201175
  C      -4.290858      2.662459      7.390711
  C      -2.881423      2.203444      7.726856
  N      -1.979973      2.155369      6.510667
  C      -1.049249      0.978867      6.627158
  C      -1.830152     -0.307105      6.377771
  C      -1.179986      3.421157      6.345076
  C      -2.085831      4.550371      5.871570
  N      -3.037062      3.917096      4.983976
  H      -1.135581     -1.127769      6.141975
  H      -2.424791     -0.614586      7.254669
  H      -0.283443      1.102808      5.851192
  H      -0.560766      0.985810      7.613629
  H      -2.609347      5.048881      6.701566
  H      -1.508096      5.324664      5.342590
  H      -0.670285      3.657156      7.291584
  H      -0.420347      3.211512      5.581948
  H      -4.937987      2.462679      8.259750
  H      -4.326137      3.747644      7.206347
  H      -2.934918      1.184380      8.127482
  H      -2.410578      2.844436      8.486344
  C      -5.057421      4.785638     -0.828629
  C      -4.724493      3.940373      0.369249
  O      -3.747185      4.164945      1.042018
  C      -5.601480      2.773892      0.712491
  C      -6.889409      2.571927      0.163304
  C      -7.652311      1.444693      0.530409
  C      -7.135179      0.514814      1.429485
  F      -7.891214     -0.558346      1.750832
  C      -5.859367      0.689981      2.018697
  C      -5.290966     -0.306883      2.962123
  O      -5.630934     -1.498032      3.015497
  N      -4.252467      0.186892      3.781365
  C      -3.581973     -0.662741      4.568279
  C      -5.117248      1.830870      1.627258
  C      -7.389307      9.677970     -1.443170
  C      -7.136598      8.409465     -0.667738
  O      -7.633526      7.332411     -1.020532
  C      -6.254928      8.470250      0.544195
  C      -5.473967      9.590846      0.878027
  C      -4.634565      9.559138      1.990611
  C      -4.566253      8.407498      2.769032
  F      -3.749014      8.434452      3.841573
  C      -5.341381      7.270306      2.477967
  C      -5.332484      5.974306      3.213436
  O      -6.268805      5.176708      3.088239
  N      -4.201599      5.728978      4.008480
  C      -3.963123      4.466500      4.219336
  C      -6.186547      7.346098      1.364168
  C     -13.306267     -0.781745      2.328134
  C     -12.167141     -0.996685      3.278397
  O     -12.093015     -2.006789      3.899291
  C     -11.127866      0.084266      3.435461
  C     -11.201852      1.321129      2.762756
  C     -10.214395      2.296527      2.939541
  C      -9.147520      2.029958      3.777943
  F      -8.215868      3.003919      3.936811
  C      -9.028621      0.805211      4.476135
  C      -7.912849      0.470281      5.428599
  O      -8.053222     -0.338372      6.300918
  N      -6.693539      1.083743      5.209297
  C      -6.041779      1.508162      6.250490
  C     -10.051795     -0.143914      4.289523
  H      -6.070988      5.215297     -0.756063
  H      -4.318602      5.600464     -0.917613
  H      -5.036959      4.167449     -1.747770
  H      -7.302115      3.291157     -0.543042
  H      -8.643901      1.281440      0.128363
  H      -3.776179     -1.740730      4.625110
  H      -4.104115      1.974308      1.998103
  H      -7.776448     10.469475     -0.791224
  H      -6.450518     10.049332     -1.877749
  H      -8.105483      9.480897     -2.247619
  H      -5.510961     10.489800      0.267609
  H      -4.025682     10.414957      2.270098
  H      -4.594623      3.682840      3.694767
  H      -6.805308      6.485802      1.132363
  H     -13.951604     -1.694816      2.314972
  H     -12.930932     -0.571135      1.301153
  H     -13.898758      0.096026      2.649526
  H     -12.033233      1.525211      2.105867
  H     -10.257951      3.260216      2.443299
  H      -6.535209      1.556111      7.238922
  H      -9.992994     -1.099603      4.824246
  N      -1.991577      1.963022      3.378079
  N      -1.324703      1.970899      2.376892
  H      -0.285886      1.960641      2.485256
89
Coordinates from ORCA-job orca E -6723.993643182517
  N      -2.666233      0.008146      5.247265
  Mo     -3.291447      1.897620      4.706475
  N      -4.775426      1.932359      6.191371
  C      -4.303852      2.649480      7.379499
  C      -2.885139      2.206774      7.710549
  N      -1.981291      2.164084      6.493608
  C      -1.034888      0.996168      6.607991
  C      -1.806164     -0.302233      6.362151
  C      -1.194323      3.440208      6.327950
  C      -2.115657      4.559617      5.859840
  N      -3.060965      3.913117      4.972512
  H      -1.103449     -1.117715      6.123259
  H      -2.399201     -0.610318      7.240168
  H      -0.271519      1.124733      5.829033
  H      -0.542065      1.012392      7.593388
  H      -2.645854      5.051112      6.692106
  H      -1.545857      5.342558      5.331480
  H      -0.688379      3.682759      7.275256
  H      -0.430904      3.238777      5.564222
  H      -4.946884      2.442936      8.250579
  H      -4.354467      3.736353      7.194432
  H      -2.926539      1.186823      8.112641
  H      -2.419403      2.856391      8.468098
  C      -5.020685      4.800681     -0.782125
  C      -4.679258      3.952716      0.410913
  O      -3.656460      4.215675      1.104876
  C      -5.558428      2.782137      0.746383
  C      -6.825868      2.610601      0.210022
  C      -7.611673      1.503281      0.564471
  C      -7.103170      0.560958      1.445553
  F      -7.885591     -0.491657      1.764270
  C      -5.837455      0.703915      2.019784
  C      -5.276869     -0.305738      2.939145
  O      -5.602984     -1.459517      2.985273
  N      -4.238675      0.177935      3.763095
  C      -3.560992     -0.669897      4.547765
  C      -5.087349      1.825558      1.644410
  C      -7.387531      9.645445     -1.450677
  C      -7.149352      8.378827     -0.669116
  O      -7.638424      7.323887     -1.019596
  C      -6.284021      8.431267      0.538355
  C      -5.509245      9.543163      0.856542
  C      -4.680087      9.515362      1.962089
  C      -4.619766      8.371646      2.748051
  F      -3.812423      8.400615      3.814061
  C      -5.386690      7.242545      2.474222
  C      -5.368367      5.953986      3.224382
  O      -6.289593      5.156343      3.113342
  N      -4.234404      5.718256      4.011548
  C      -3.993400      4.454966      4.208800
  C      -6.224505      7.313633      1.366044
  C     -13.343732     -0.678390      2.310226
  C     -12.198279     -0.956074      3.286358
  O     -12.136273     -2.005706      3.950784
  C     -11.136168      0.091905      3.438399
  C     -11.177709      1.313243      2.761021
  C     -10.170363      2.267615      2.935551
  C      -9.097108      1.961547      3.797289
  F      -8.138611      2.897644      3.954731
  C      -9.019027      0.753875      4.500108
  C      -7.933656      0.424885      5.459885
  O      -8.102103     -0.388799      6.346870
  N      -6.702013      1.036739      5.217583
  C      -6.048694      1.483691      6.244248
  C     -10.064684     -0.161583      4.308614
  H      -6.023515      5.217589     -0.722823
  H      -4.312990      5.621710     -0.861163
  H      -4.980752      4.191879     -1.679743
  H      -7.232790      3.343415     -0.483963
  H      -8.629973      1.353117      0.173752
  H      -3.744665     -1.751072      4.597640
  H      -4.068761      1.952444      2.005962
  H      -7.773332     10.440913     -0.807807
  H      -6.450779     10.007474     -1.883008
  H      -8.092975      9.446815     -2.254259
  H      -5.538268     10.439672      0.236997
  H      -4.070977     10.369505      2.229261
  H      -4.617250      3.668324      3.680021
  H      -6.844749      6.454364      1.146293
  H     -14.005734     -1.538432      2.295463
  H     -12.973901     -0.493340      1.287180
  H     -13.920780      0.219768      2.611623
  H     -12.011324      1.547866      2.085485
  H     -10.190530      3.237130      2.426036
  H      -6.542008      1.550462      7.224512
  H     -10.033487     -1.110614      4.850965
  N      -1.985318      1.962329      3.366640
  N      -1.324770      1.975029      2.365070
  H      -0.296468      1.956815      2.470965
89
Coordinates from ORCA-job orca E -6723.993775568859
  N      -2.687823      0.015649      5.261143
  Mo     -3.297344      1.906669      4.720541
  N      -4.779615      1.948385      6.199462
  C      -4.306805      2.654085      7.391103
  C      -2.896167      2.199033      7.726036
  N      -1.992445      2.154270      6.511342
  C      -1.059650      0.982342      6.626273
  C      -1.835396     -0.303029      6.374448
  C      -1.197671      3.419464      6.349659
  C      -2.104475      4.545056      5.879868
  N      -3.052040      3.912445      4.990521
  H      -1.141923     -1.120582      6.136384
  H      -2.428189     -0.609187      7.249367
  H      -0.294814      1.106928      5.851194
  H      -0.572922      0.991071      7.611244
  H      -2.629403      5.039046      6.711280
  H      -1.529108      5.320744      5.354045
  H      -0.691773      3.654479      7.296914
  H      -0.437185      3.213068      5.587851
  H      -4.953368      2.450322      8.258857
  H      -4.346422      3.738524      7.210026
  H      -2.946917      1.180660      8.124672
  H      -2.428551      2.839615      8.486164
  C      -5.166617      4.776448     -0.788525
  C      -4.795749      3.939984      0.412988
  O      -3.785304      4.187607      1.115220
  C      -5.656266      2.768689      0.743604
  C      -6.922071      2.574492      0.195298
  C      -7.655423      1.467777      0.538958
  C      -7.124039      0.540817      1.427094
  F      -7.852968     -0.519412      1.730746
  C      -5.868871      0.704783      2.015588
  C      -5.291856     -0.298936      2.943539
  O      -5.619581     -1.476692      2.983069
  N      -4.252273      0.192478      3.773315
  C      -3.579124     -0.658796      4.564006
  C      -5.157688      1.828181      1.646872
  C      -7.373884      9.679583     -1.446632
  C      -7.158306      8.409214     -0.653056
  O      -7.716255      7.345272     -0.970718
  C      -6.242029      8.468832      0.536776
  C      -5.409486      9.583672      0.827073
  C      -4.544537      9.559039      1.922480
  C      -4.502138      8.416504      2.726523
  F      -3.656644      8.451604      3.782300
  C      -5.323529      7.283299      2.478467
  C      -5.337478      5.993686      3.243533
  O      -6.290178      5.212166      3.147283
  N      -4.204883      5.734955      4.029009
  C      -3.977826      4.467112      4.228164
  C      -6.195378      7.352187      1.380176
  C     -13.241420     -0.768977      2.317363
  C     -12.111398     -1.003311      3.273418
  O     -12.027798     -2.059287      3.922150
  C     -11.083504      0.075389      3.426273
  C     -11.153980      1.315030      2.754797
  C     -10.174324      2.275054      2.933228
  C      -9.120687      2.006666      3.762962
  F      -8.201967      2.975111      3.913893
  C      -9.013542      0.784218      4.457411
  C      -7.928647      0.456834      5.412004
  O      -8.104103     -0.406046      6.317322
  N      -6.696473      1.077193      5.195441
  C      -6.053360      1.504657      6.239592
  C     -10.019234     -0.163188      4.280903
  H      -6.194463      5.190951     -0.711401
  H      -4.448751      5.599414     -0.879863
  H      -5.142750      4.154556     -1.708816
  H      -7.340022      3.296651     -0.505890
  H      -8.638505      1.298690      0.132621
  H      -3.770148     -1.741406      4.616594
  H      -4.148416      1.976597      2.016572
  H      -7.712936     10.509212     -0.786167
  H      -6.423697     10.011011     -1.924351
  H      -8.123704      9.483122     -2.229722
  H      -5.428411     10.477446      0.196565
  H      -3.895178     10.414920      2.170065
  H      -4.609139      3.691501      3.698509
  H      -6.856286      6.492616      1.180536
  H     -13.881328     -1.665672      2.298264
  H     -12.842530     -0.553274      1.302724
  H     -13.852680      0.102575      2.628655
  H     -11.983948      1.538310      2.091643
  H     -10.215118      3.248850      2.434510
  H      -6.555648      1.555638      7.222353
  H      -9.965171     -1.119798      4.814688
  N      -1.990329      1.969055      3.379771
  N      -1.329757      1.980998      2.378225
  H      -0.297945      1.967572      2.484138
89
Coordinates from ORCA-job orca E -6723.991909208585
  N      -2.638776      0.016626      5.274218
  Mo     -3.268743      1.904122      4.725501
  N      -4.750409      1.937445      6.203567
  C      -4.282158      2.652668      7.393974
  C      -2.866893      2.211895      7.733124
  N      -1.961799      2.172165      6.517963
  C      -1.016306      1.006782      6.637348
  C      -1.781988     -0.290410      6.389536
  C      -1.177582      3.448584      6.351156
  C      -2.098553      4.565714      5.875735
  N      -3.043031      3.919283      4.988222
  H      -1.076697     -1.104076      6.155336
  H      -2.374723     -0.603028      7.266435
  H      -0.250876      1.137893      5.861370
  H      -0.528448      1.022072      7.623789
  H      -2.628611      5.058895      6.705605
  H      -1.530890      5.347039      5.346204
  H      -0.671679      3.692784      7.298240
  H      -0.414486      3.247405      5.588843
  H      -4.927588      2.445349      8.262662
  H      -4.331214      3.737572      7.209310
  H      -2.908357      1.193158      8.136206
  H      -2.405478      2.860970      8.492150
  C      -5.160361      4.744816     -0.812490
  C      -4.810647      3.903384      0.381434
  O      -3.866320      4.132499      1.061977
  C      -5.659902      2.717861      0.717740
  C      -6.959520      2.482017      0.170539
  C      -7.685207      1.348806      0.535224
  C      -7.127436      0.437317      1.433804
  F      -7.853883     -0.647460      1.756604
  C      -5.840845      0.642799      2.020348
  C      -5.239147     -0.343066      2.964310
  O      -5.556526     -1.551579      3.016058
  N      -4.204907      0.169373      3.788769
  C      -3.521892     -0.668537      4.581640
  C      -5.136209      1.791509      1.630957
  C      -7.363995      9.687995     -1.449903
  C      -7.120628      8.420522     -0.673038
  O      -7.614816      7.353993     -1.030922
  C      -6.248621      8.478374      0.548044
  C      -5.468369      9.597658      0.889376
  C      -4.636114      9.565167      2.009625
  C      -4.573285      8.413549      2.789449
  F      -3.762700      8.440463      3.870167
  C      -5.348527      7.277096      2.492481
  C      -5.344630      5.980759      3.228209
  O      -6.285589      5.185984      3.102710
  N      -4.212865      5.731842      4.022231
  C      -3.974680      4.466088      4.225473
  C      -6.187559      7.353244      1.370089
  C     -13.326847     -0.669197      2.274161
  C     -12.179844     -0.912541      3.223955
  O     -12.100655     -1.953121      3.853986
  C     -11.128403      0.136595      3.395694
  C     -11.200455      1.369886      2.734142
  C     -10.199836      2.302954      2.930202
  C      -9.121025      2.005273      3.776391
  F      -8.179670      2.956325      3.944064
  C      -9.010304      0.789599      4.461227
  C      -7.897876      0.439288      5.421766
  O      -8.051321     -0.414284      6.330914
  N      -6.669569      1.056471      5.203216
  C      -6.024955      1.483278      6.246529
  C     -10.038083     -0.127824      4.262647
  H      -6.187404      5.150033     -0.742143
  H      -4.444559      5.580165     -0.900598
  H      -5.122433      4.124857     -1.733120
  H      -7.400085      3.190429     -0.535056
  H      -8.680899      1.156004      0.137065
  H      -3.700559     -1.748212      4.640608
  H      -4.114969      1.966586      1.997308
  H      -7.755254     10.478106     -0.799567
  H      -6.421123     10.057807     -1.875148
  H      -8.074593      9.493339     -2.262856
  H      -5.500538     10.495965      0.278649
  H      -4.028578     10.420161      2.294554
  H      -4.600830      3.686292      3.696139
  H      -6.806518      6.493590      1.132183
  H     -13.973040     -1.548855      2.250970
  H     -12.972274     -0.459478      1.270738
  H     -13.901946      0.193345      2.593625
  H     -12.043203      1.603742      2.069013
  H     -10.238615      3.262586      2.444180
  H      -6.527268      1.532671      7.232985
  H      -9.987217     -1.066823      4.780436
  N      -1.966338      1.975394      3.383324
  N      -1.305554      1.990912      2.378619
  H      -0.264580      1.987788      2.480323
89
Coordinates from ORCA-job orca E -6723.993166341822
  N      -2.668498      0.013727      5.259074
  Mo     -3.292122      1.900803      4.708080
  N      -4.778673      1.943865      6.188158
  C      -4.308833      2.663765      7.375910
  C      -2.892976      2.221085      7.713441
  N      -1.987926      2.172957      6.498164
  C      -1.042437      1.006202      6.620068
  C      -1.810866     -0.292725      6.376141
  C      -1.200341      3.447123      6.328671
  C      -2.118959      4.564804      5.852816
  N      -3.064096      3.916443      4.965809
  H      -1.107692     -1.108848      6.140696
  H      -2.403794     -0.599586      7.255025
  H      -0.277588      1.131684      5.842432
  H      -0.553788      1.026339      7.607553
  H      -2.649731      5.060910      6.682244
  H      -1.547992      5.344249      5.321743
  H      -0.695758      3.693418      7.276046
  H      -0.436089      3.241783      5.566931
  H      -4.954350      2.461002      8.246035
  H      -4.357389      3.749148      7.186782
  H      -2.936604      1.203861      8.120688
  H      -2.428537      2.873154      8.469822
  C      -5.105177      4.783930     -0.787880
  C      -4.762348      3.927968      0.400586
  O      -3.768324      4.172458      1.087009
  C      -5.619216      2.754271      0.732017
  C      -6.903488      2.553493      0.186954
  C      -7.660495      1.424487      0.546022
  C      -7.122068      0.494084      1.437013
  F      -7.878207     -0.579384      1.759044
  C      -5.843552      0.669877      2.019782
  C      -5.257210     -0.323142      2.952558
  O      -5.563878     -1.488093      3.009400
  N      -4.231174      0.172947      3.772110
  C      -3.556500     -0.668437      4.562707
  C      -5.118083      1.810917      1.637099
  C      -7.319145      9.729765     -1.436823
  C      -7.107434      8.452482     -0.662849
  O      -7.625555      7.400852     -1.015413
  C      -6.235341      8.486125      0.542416
  C      -5.435063      9.587528      0.865229
  C      -4.603008      9.542269      1.970720
  C      -4.564588      8.391808      2.751872
  F      -3.753592      8.403253      3.818570
  C      -5.356193      7.272750      2.472488
  C      -5.359907      5.980461      3.219643
  O      -6.293183      5.193520      3.106667
  N      -4.227940      5.730566      4.006495
  C      -3.994400      4.464240      4.201441
  C      -6.196087      7.361236      1.364813
  C     -13.332924     -0.772482      2.329774
  C     -12.184695     -1.021940      3.288024
  O     -12.119955     -2.044736      3.925748
  C     -11.131224      0.053601      3.434991
  C     -11.181429      1.294678      2.759337
  C     -10.178844      2.281500      2.929713
  C      -9.099406      1.976716      3.792393
  F      -8.135719      2.928694      3.959760
  C      -9.018404      0.761393      4.485131
  C      -7.926962      0.440459      5.438767
  O      -8.083769     -0.356738      6.306942
  N      -6.703737      1.053590      5.206247
  C      -6.052785      1.497372      6.239170
  C     -10.061447     -0.181152      4.294440
  H      -6.116321      5.203292     -0.725370
  H      -4.389336      5.601445     -0.855349
  H      -5.065053      4.183873     -1.701160
  H      -7.333209      3.274257     -0.511338
  H      -8.679440      1.254560      0.150002
  H      -3.739112     -1.747047      4.619848
  H      -4.096765      1.959065      2.001982
  H      -7.686330     10.533981     -0.786762
  H      -6.372538     10.074719     -1.872471
  H      -8.032126      9.547466     -2.237990
  H      -5.447311     10.488399      0.250327
  H      -3.975614     10.387075      2.241730
  H      -4.623805      3.685880      3.673450
  H      -6.834082      6.511884      1.141616
  H     -13.985032     -1.652649      2.318937
  H     -12.962833     -0.571723      1.310672
  H     -13.920176      0.110542      2.645965
  H     -12.008940      1.511430      2.098393
  H     -10.202269      3.262650      2.425702
  H      -6.547688      1.561592      7.220594
  H     -10.027147     -1.140150      4.831826
  N      -1.987536      1.960865      3.367073
  N      -1.329298      1.969527      2.362530
  H      -0.298227      1.953198      2.465860
89
Coordinates from ORCA-job orca E -6723.993993290836
  N      -2.672329      0.007686      5.262745
  Mo     -3.297298      1.894399      4.712716
  N      -4.774972      1.933071      6.195134
  C      -4.303177      2.644902      7.382874
  C      -2.887590      2.200480      7.715568
  N      -1.985757      2.157434      6.498971
  C      -1.043321      0.991067      6.618433
  C      -1.812567     -0.301820      6.375819
  C      -1.198539      3.428653      6.329063
  C      -2.115161      4.547375      5.857644
  N      -3.063413      3.905368      4.974476
  H      -1.113292     -1.117310      6.139918
  H      -2.401826     -0.608863      7.254909
  H      -0.280016      1.117940      5.840710
  H      -0.553551      1.007936      7.602487
  H      -2.640269      5.042693      6.688465
  H      -1.545979      5.325630      5.325960
  H      -0.690215      3.671023      7.273268
  H      -0.438854      3.223639      5.565336
  H      -4.946910      2.439326      8.252681
  H      -4.350070      3.729611      7.198599
  H      -2.929760      1.181931      8.118434
  H      -2.422000      2.847657      8.471548
  C      -5.068194      4.780966     -0.782045
  C      -4.706962      3.941504      0.413090
  O      -3.668252      4.202482      1.097839
  C      -5.588539      2.765006      0.756462
  C      -6.843858      2.580871      0.216807
  C      -7.609000      1.468558      0.565015
  C      -7.106654      0.531602      1.448109
  F      -7.860715     -0.528003      1.754853
  C      -5.856050      0.685784      2.027688
  C      -5.294138     -0.322689      2.946975
  O      -5.626789     -1.487719      2.987377
  N      -4.248131      0.169168      3.774577
  C      -3.567065     -0.677567      4.565489
  C      -5.118793      1.812955      1.655924
  C      -7.404060      9.656891     -1.444039
  C      -7.166644      8.392989     -0.656025
  O      -7.687397      7.334441     -0.987766
  C      -6.272534      8.452776      0.544147
  C      -5.476023      9.565334      0.850059
  C      -4.627480      9.540866      1.951453
  C      -4.566901      8.400249      2.746428
  F      -3.738679      8.434764      3.808478
  C      -5.355420      7.270216      2.484195
  C      -5.354160      5.983256      3.240535
  O      -6.294047      5.199448      3.136475
  N      -4.220956      5.727626      4.024400
  C      -3.994310      4.460199      4.217409
  C      -6.210357      7.338344      1.379588
  C     -13.288877     -0.695855      2.314391
  C     -12.153193     -0.946389      3.286152
  O     -12.074578     -1.996141      3.947767
  C     -11.110245      0.101314      3.436646
  C     -11.180392      1.319969      2.756075
  C     -10.191162      2.260053      2.923016
  C      -9.134998      2.001829      3.742804
  F      -8.213620      2.954332      3.877346
  C      -9.021165      0.787824      4.456179
  C      -7.922969      0.455059      5.415915
  O      -8.085565     -0.380734      6.317798
  N      -6.694319      1.058882      5.196029
  C      -6.049185      1.485822      6.239459
  C     -10.038263     -0.139844      4.290024
  H      -6.076042      5.201604     -0.697756
  H      -4.345007      5.600077     -0.883706
  H      -5.055926      4.160290     -1.689109
  H      -7.240121      3.310535     -0.482026
  H      -8.592262      1.308744      0.161505
  H      -3.751644     -1.762441      4.621075
  H      -4.113291      1.949982      2.022472
  H      -7.769106     10.462983     -0.792448
  H      -6.465274     10.009784     -1.895696
  H      -8.132906      9.457816     -2.238597
  H      -5.508436     10.458653      0.225693
  H      -4.004873     10.395449      2.211159
  H      -4.629105      3.687105      3.688359
  H      -6.843829      6.479636      1.166689
  H     -13.940069     -1.572633      2.292034
  H     -12.904194     -0.495867      1.296744
  H     -13.877653      0.187011      2.615828
  H     -12.020160      1.546781      2.092274
  H     -10.233740      3.219282      2.415366
  H      -6.550139      1.538845      7.222610
  H      -9.980733     -1.090396      4.837883
  N      -1.998657      1.961727      3.365455
  N      -1.345775      1.975192      2.357848
  H      -0.311233      1.966064      2.456005
89
Coordinates from ORCA-job orca E -6723.993682074222
  N      -2.652130      0.018391      5.270886
  Mo     -3.284608      1.902690      4.717569
  N      -4.765321      1.940616      6.196351
  C      -4.294505      2.660862      7.383030
  C      -2.877464      2.222040      7.720624
  N      -1.974745      2.177632      6.505014
  C      -1.026905      1.014849      6.626029
  C      -1.791277     -0.283916      6.383432
  C      -1.192451      3.452501      6.332463
  C      -2.115273      4.566569      5.856242
  N      -3.062612      3.918314      4.973853
  H      -1.085066     -1.095891      6.148324
  H      -2.380098     -0.595459      7.261293
  H      -0.264079      1.143711      5.848825
  H      -0.536754      1.033838      7.611008
  H      -2.642787      5.061415      6.685579
  H      -1.549745      5.346333      5.323754
  H      -0.684772      3.700068      7.277465
  H      -0.431499      3.249646      5.569811
  H      -4.936412      2.455255      8.253716
  H      -4.346575      3.744907      7.195220
  H      -2.917386      1.205675      8.127827
  H      -2.415229      2.874274      8.476015
  C      -5.245174      4.738159     -0.760882
  C      -4.863272      3.890703      0.428411
  O      -3.880386      4.125722      1.130606
  C      -5.692784      2.705823      0.749444
  C      -6.985436      2.481754      0.205638
  C      -7.695115      1.362386      0.555040
  C      -7.122500      0.449074      1.441864
  F      -7.843678     -0.624097      1.757124
  C      -5.845177      0.642037      2.026187
  C      -5.243245     -0.343160      2.966450
  O      -5.555447     -1.541008      3.013839
  N      -4.215463      0.165284      3.786992
  C      -3.533267     -0.668935      4.582614
  C      -5.155033      1.777837      1.649873
  C      -7.313925      9.739923     -1.454225
  C      -7.110689      8.466271     -0.662108
  O      -7.655051      7.402902     -0.995623
  C      -6.216103      8.516185      0.545599
  C      -5.388020      9.624803      0.860702
  C      -4.540458      9.584958      1.969944
  C      -4.508501      8.435301      2.763351
  F      -3.679843      8.456593      3.832062
  C      -5.328259      7.308622      2.490829
  C      -5.351597      6.011828      3.237439
  O      -6.318047      5.238141      3.134865
  N      -4.218119      5.740840      4.020777
  C      -3.994882      4.470982      4.216230
  C      -6.183810      7.393424      1.380389
  C     -13.288739     -0.745906      2.267169
  C     -12.161388     -0.983415      3.231246
  O     -12.102213     -2.035980      3.883416
  C     -11.109023      0.091935      3.393221
  C     -11.159101      1.332721      2.716115
  C     -10.160983      2.284408      2.905702
  C      -9.094644      1.976823      3.775581
  F      -8.148632      2.933859      3.939669
  C      -9.009775      0.761023      4.471433
  C      -7.921516      0.420359      5.439862
  O      -8.104112     -0.436310      6.365447
  N      -6.682693      1.047789      5.207617
  C      -6.038470      1.489196      6.242338
  C     -10.041479     -0.158833      4.268985
  H      -6.278133      5.128387     -0.685907
  H      -4.550430      5.576003     -0.842951
  H      -5.203280      4.134425     -1.684870
  H      -7.444712      3.193810     -0.489123
  H      -8.706021      1.175944      0.162686
  H      -3.710653     -1.746709      4.647094
  H      -4.132099      1.949026      2.014991
  H      -7.670071     10.562847     -0.801415
  H      -6.356122     10.071813     -1.904669
  H      -8.045360      9.555127     -2.254646
  H      -5.395744     10.521412      0.238110
  H      -3.895935     10.433133      2.235677
  H      -4.628128      3.697873      3.688439
  H      -6.839359      6.541220      1.160908
  H     -13.941734     -1.636264      2.248667
  H     -12.906438     -0.543286      1.253618
  H     -13.871010      0.134897      2.578212
  H     -11.985567      1.558764      2.041889
  H     -10.182556      3.251624      2.407713
  H      -6.539550      1.547129      7.226317
  H     -10.011751     -1.094614      4.793337
  N      -1.986635      1.969406      3.369156
  N      -1.334261      1.981733      2.361208
  H      -0.298397      1.964442      2.458519
89
Coordinates from ORCA-job orca E -6723.993658655154
  N      -2.650999      0.015433      5.272045
  Mo     -3.289419      1.895852      4.713358
  N      -4.771214      1.934207      6.194299
  C      -4.305421      2.658787      7.379632
  C      -2.886396      2.227402      7.716287
  N      -1.983401      2.182764      6.499472
  C      -1.030433      1.023948      6.624856
  C      -1.790273     -0.279939      6.388101
  C      -1.205804      3.461419      6.322932
  C      -2.132272      4.570740      5.844089
  N      -3.076516      3.914571      4.962165
  H      -1.082554     -1.092390      6.155819
  H      -2.379038     -0.587734      7.269385
  H      -0.266503      1.153037      5.846400
  H      -0.542185      1.050174      7.611635
  H      -2.663806      5.067463      6.672494
  H      -1.567939      5.351312      5.308446
  H      -0.700400      3.714189      7.267978
  H      -0.441817      3.259044      5.559987
  H      -4.949752      2.453167      8.250308
  H      -4.360984      3.743196      7.188389
  H      -2.921828      1.210937      8.126553
  H      -2.425618      2.884835      8.469835
  C      -5.135094      4.756532     -0.794511
  C      -4.795262      3.904811      0.386223
  O      -3.836683      4.145144      1.055110
  C      -5.652998      2.718254      0.726244
  C      -6.928556      2.488827      0.171498
  C      -7.668166      1.345547      0.535587
  C      -7.132502      0.426006      1.435020
  F      -7.865586     -0.663885      1.755337
  C      -5.859176      0.627466      2.023871
  C      -5.261718     -0.363449      2.959001
  O      -5.567409     -1.555515      3.015179
  N      -4.223817      0.155761      3.785575
  C      -3.534166     -0.677386      4.581258
  C      -5.150703      1.783158      1.639696
  C      -7.314518      9.751122     -1.440658
  C      -7.098978      8.473862     -0.667869
  O      -7.610126      7.417399     -1.026132
  C      -6.230721      8.508622      0.545939
  C      -5.432169      9.612502      0.879552
  C      -4.604734      9.563257      1.993396
  C      -4.566984      8.409174      2.773320
  F      -3.759676      8.417704      3.847124
  C      -5.358648      7.287779      2.483524
  C      -5.371386      5.992095      3.226855
  O      -6.313585      5.207094      3.104781
  N      -4.239091      5.732219      4.012058
  C      -4.011274      4.463535      4.203241
  C      -6.192561      7.380663      1.367114
  C     -13.313476     -0.699576      2.303286
  C     -12.161926     -0.974975      3.258740
  O     -12.092683     -1.999615      3.883723
  C     -11.110668      0.075313      3.423606
  C     -11.158634      1.309676      2.769756
  C     -10.158245      2.277243      2.960531
  C      -9.092447      1.974879      3.812455
  F      -8.139707      2.933264      3.991638
  C      -9.011966      0.760439      4.483514
  C      -7.926861      0.429786      5.426356
  O      -8.102363     -0.405245      6.300907
  N      -6.693508      1.045683      5.207505
  C      -6.045212      1.481313      6.244171
  C     -10.043663     -0.180275      4.284551
  H      -6.158427      5.182883     -0.712628
  H      -4.403480      5.584946     -0.871282
  H      -5.105931      4.136562     -1.721302
  H      -7.346829      3.201263     -0.535942
  H      -8.657603      1.156566      0.133469
  H      -3.708221     -1.759478      4.643958
  H      -4.137450      1.950854      2.008068
  H      -7.690609     10.549817     -0.791940
  H      -6.366160     10.100505     -1.864627
  H      -8.022252      9.573460     -2.249991
  H      -5.443911     10.513611      0.266532
  H      -3.980360     10.406976      2.271832
  H      -4.641816      3.690440      3.675985
  H      -6.827269      6.531948      1.135116
  H     -13.959527     -1.552501      2.278468
  H     -12.958560     -0.492286      1.303195
  H     -13.896394      0.171718      2.622401
  H     -11.986888      1.545119      2.104304
  H     -10.184445      3.260665      2.469492
  H      -6.541182      1.537407      7.228202
  H     -10.001846     -1.158922      4.821002
  N      -1.990548      1.962370      3.363419
  N      -1.339597      1.973139      2.351919
  H      -0.306165      1.956803      2.446336
89
Coordinates from ORCA-job orca E -6723.993722242828
  N      -2.658451      0.004989      5.267400
  Mo     -3.284989      1.890271      4.711811
  N      -4.769812      1.929534      6.189773
  C      -4.302703      2.647092      7.378748
  C      -2.886019      2.208543      7.715269
  N      -1.980179      2.163744      6.499787
  C      -1.033761      0.999137      6.624337
  C      -1.799406     -0.299459      6.382768
  C      -1.195593      3.438878      6.328122
  C      -2.115118      4.554440      5.853185
  N      -3.061549      3.906293      4.968666
  H      -1.098034     -1.114191      6.148464
  H      -2.389807     -0.605369      7.262653
  H      -0.268709      1.124786      5.847047
  H      -0.546001      1.022355      7.610892
  H      -2.644077      5.051090      6.683078
  H      -1.546391      5.333959      5.320552
  H      -0.689849      3.686132      7.273478
  H      -0.432690      3.233776      5.565514
  H      -4.948012      2.440682      8.248344
  H      -4.353574      3.731890      7.192253
  H      -2.926346      1.191064      8.122163
  H      -2.423650      2.860938      8.470826
  C      -5.098107      4.777257     -0.783327
  C      -4.734288      3.931162      0.413223
  O      -3.720733      4.186510      1.094563
  C      -5.603090      2.754407      0.752954
  C      -6.876426      2.558061      0.208774
  C      -7.634377      1.434279      0.561057
  C      -7.106535      0.502740      1.449361
  F      -7.852304     -0.565561      1.760090
  C      -5.838919      0.671583      2.032582
  C      -5.253503     -0.325814      2.957997
  O      -5.560658     -1.479448      3.012167
  N      -4.223329      0.162899      3.778544
  C      -3.546659     -0.679934      4.568731
  C      -5.112683      1.808665      1.656264
  C      -7.364423      9.682608     -1.435256
  C      -7.135625      8.415032     -0.657651
  O      -7.650188      7.362439     -1.005282
  C      -6.253990      8.463545      0.546865
  C      -5.460705      9.571495      0.864081
  C      -4.621683      9.540168      1.970620
  C      -4.569594      8.396970      2.758802
  F      -3.752284      8.422614      3.827158
  C      -5.354501      7.271724      2.485011
  C      -5.354698      5.985032      3.238523
  O      -6.287176      5.200827      3.130435
  N      -4.222644      5.730970      4.023094
  C      -3.993679      4.462327      4.210723
  C      -6.199860      7.345935      1.375540
  C     -13.327036     -0.732917      2.328603
  C     -12.182578     -0.954438      3.282015
  O     -12.094999     -1.987496      3.931921
  C     -11.139620      0.105048      3.423521
  C     -11.224712      1.331470      2.738089
  C     -10.227758      2.278526      2.902046
  C      -9.143552      2.007906      3.730438
  F      -8.201438      2.944246      3.874144
  C      -9.018036      0.793926      4.446695
  C      -7.902206      0.464005      5.409719
  O      -8.032469     -0.335201      6.289520
  N      -6.688593      1.056131      5.186705
  C      -6.044303      1.486178      6.232504
  C     -10.044464     -0.138182      4.281969
  H      -6.104463      5.191586     -0.707626
  H      -4.384190      5.593271     -0.871523
  H      -5.076624      4.173811     -1.692324
  H      -7.292246      3.281274     -0.490916
  H      -8.634655      1.265596      0.158457
  H      -3.727518     -1.761417      4.625672
  H      -4.095609      1.954113      2.021389
  H      -7.733288     10.480949     -0.783325
  H      -6.423742     10.039130     -1.876228
  H      -8.083442      9.488503     -2.235758
  H      -5.485529     10.467531      0.244085
  H      -3.999761     10.391659      2.238204
  H      -4.629442      3.691782      3.679807
  H      -6.833332      6.490228      1.155878
  H     -13.971178     -1.646802      2.321571
  H     -12.942538     -0.523282      1.293134
  H     -13.928307      0.147213      2.645706
  H     -12.076922      1.554614      2.078626
  H     -10.274948      3.234544      2.397634
  H      -6.546701      1.546855      7.212520
  H      -9.982327     -1.076625      4.822320
  N      -1.983682      1.957094      3.368559
  N      -1.330377      1.969944      2.362441
  H      -0.297719      1.952641      2.461556
89
Coordinates from ORCA-job orca E -6723.992142126004
  N      -2.666153      0.016197      5.270030
  Mo     -3.298454      1.896235      4.706261
  N      -4.776743      1.942316      6.185628
  C      -4.306425      2.665248      7.369514
  C      -2.890142      2.227249      7.707532
  N      -1.988441      2.177086      6.491525
  C      -1.041853      1.015645      6.619158
  C      -1.805651     -0.281304      6.383682
  C      -1.206283      3.448693      6.312104
  C      -2.126504      4.560194      5.832061
  N      -3.075653      3.911072      4.953904
  H      -1.102370     -1.094242      6.152600
  H      -2.392898     -0.586287      7.263175
  H      -0.279336      1.139758      5.841916
  H      -0.553284      1.040718      7.603866
  H      -2.651083      5.060206      6.659487
  H      -1.560952      5.335443      5.294846
  H      -0.698057      3.699963      7.254934
  H      -0.447027      3.240186      5.550196
  H      -4.947777      2.463116      8.241013
  H      -4.358006      3.747901      7.178059
  H      -2.929381      1.213268      8.118668
  H      -2.426914      2.881710      8.458715
  C      -5.216808      4.741758     -0.764850
  C      -4.819933      3.898600      0.423993
  O      -3.789166      4.159431      1.119956
  C      -5.659304      2.705821      0.760290
  C      -6.929562      2.485892      0.221429
  C      -7.655499      1.364373      0.570966
  C      -7.109460      0.447063      1.456403
  F      -7.841531     -0.625369      1.771678
  C      -5.848630      0.635193      2.035985
  C      -5.264972     -0.353807      2.967243
  O      -5.588021     -1.541720      3.009546
  N      -4.234761      0.155462      3.785591
  C      -3.552760     -0.679079      4.580795
  C      -5.143882      1.772820      1.660204
  C      -7.293877      9.767745     -1.442318
  C      -7.088261      8.495138     -0.659155
  O      -7.618883      7.447071     -1.003017
  C      -6.206721      8.532598      0.550449
  C      -5.394385      9.630025      0.875513
  C      -4.557946      9.582109      1.984547
  C      -4.522853      8.433650      2.767918
  F      -3.704581      8.446449      3.836839
  C      -5.327829      7.318003      2.486292
  C      -5.351220      6.023049      3.225396
  O      -6.311487      5.257244      3.114758
  N      -4.220452      5.742659      4.007980
  C      -4.007554      4.470721      4.199637
  C      -6.172148      7.410080      1.375382
  C     -13.278171     -0.771586      2.311413
  C     -12.149647     -1.017255      3.279325
  O     -12.088449     -2.082148      3.945337
  C     -11.100771      0.061605      3.427735
  C     -11.152024      1.301187      2.740052
  C     -10.165237      2.266531      2.903483
  C      -9.118671      1.994977      3.742031
  F      -8.195312      2.973917      3.873552
  C      -9.025783      0.767473      4.459484
  C      -7.936929      0.429033      5.427038
  O      -8.119877     -0.419081      6.347877
  N      -6.695483      1.051358      5.194811
  C      -6.051358      1.492865      6.230038
  C     -10.048891     -0.163928      4.280641
  H      -6.236390      5.134488     -0.671711
  H      -4.520051      5.577063     -0.865338
  H      -5.195585      4.134993     -1.678395
  H      -7.366472      3.202809     -0.476687
  H      -8.656107      1.178641      0.175294
  H      -3.731835     -1.763269      4.647627
  H      -4.132193      1.940846      2.025579
  H      -7.657331     10.579171     -0.792182
  H      -6.340089     10.104896     -1.879200
  H      -8.016200      9.587933     -2.247001
  H      -5.404647     10.527365      0.259978
  H      -3.923936     10.423650      2.258363
  H      -4.649411      3.703984      3.671799
  H      -6.816819      6.564279      1.146831
  H     -13.939509     -1.641953      2.283852
  H     -12.898944     -0.576843      1.313785
  H     -13.849477      0.096729      2.607157
  H     -11.968770      1.509284      2.081946
  H     -10.191255      3.233618      2.395728
  H      -6.553403      1.550170      7.213877
  H     -10.017908     -1.093126      4.809357
  N      -2.007074      1.957215      3.356293
  N      -1.361815      1.964998      2.345281
  H      -0.323989      1.947241      2.435148
89
Coordinates from ORCA-job orca E -6723.993673359741
  N      -2.637809      0.013508      5.277155
  Mo     -3.288346      1.890277      4.717015
  N      -4.763714      1.922364      6.201881
  C      -4.294726      2.649312      7.383519
  C      -2.870734      2.225117      7.715105
  N      -1.972485      2.184064      6.496073
  C      -1.012268      1.030092      6.619111
  C      -1.768043     -0.277269      6.387632
  C      -1.201447      3.465370      6.314182
  C      -2.136593      4.570251      5.838489
  N      -3.084289      3.911016      4.963300
  H      -1.055492     -1.086554      6.152525
  H      -2.350621     -0.589088      7.271602
  H      -0.252237      1.162455      5.838071
  H      -0.518663      1.058255      7.601998
  H      -2.664788      5.065120      6.667866
  H      -1.578775      5.353018      5.299743
  H      -0.691454      3.720902      7.255559
  H      -0.441374      3.266233      5.548688
  H      -4.932817      2.440101      8.256595
  H      -4.357156      3.733406      7.192778
  H      -2.899218      1.208751      8.126815
  H      -2.410557      2.885041      8.465397
  C      -5.196348      4.743257     -0.732831
  C      -4.828757      3.885542      0.440711
  O      -3.843006      4.118743      1.126732
  C      -5.668448      2.701573      0.764545
  C      -6.940504      2.480748      0.211850
  C      -7.663227      1.351639      0.561013
  C      -7.115783      0.431004      1.449771
  F      -7.843017     -0.648681      1.760456
  C      -5.851502      0.621699      2.038224
  C      -5.254885     -0.371398      2.970206
  O      -5.567007     -1.569279      3.016788
  N      -4.215621      0.145430      3.794848
  C      -3.519410     -0.682835      4.591464
  C      -5.152982      1.765771      1.666457
  C      -7.356137      9.722833     -1.453672
  C      -7.155327      8.449615     -0.651833
  O      -7.716881      7.378072     -0.968857
  C      -6.246688      8.503747      0.547410
  C      -5.406078      9.612409      0.845897
  C      -4.550369      9.574585      1.949724
  C      -4.522416      8.427540      2.753773
  F      -3.684604      8.450036      3.816150
  C      -5.353164      7.301011      2.496653
  C      -5.381805      6.007870      3.256545
  O      -6.352549      5.236821      3.163041
  N      -4.244040      5.733558      4.029353
  C      -4.023743      4.463157      4.214117
  C      -6.215994      7.384319      1.391775
  C     -13.297285     -0.647991      2.229158
  C     -12.165815     -0.923294      3.208847
  O     -12.115295     -1.956182      3.856634
  C     -11.103994      0.112047      3.382481
  C     -11.137755      1.331777      2.715912
  C     -10.128891      2.262325      2.922378
  C      -9.068661      1.943746      3.803109
  F      -8.110665      2.876314      3.988436
  C      -9.003446      0.747866      4.483340
  C      -7.930160      0.407037      5.449300
  O      -8.131678     -0.445359      6.356219
  N      -6.683230      1.026836      5.221651
  C      -6.036167      1.467085      6.254452
  C     -10.041724     -0.158093      4.269670
  H      -6.222468      5.152166     -0.644645
  H      -4.484691      5.576156     -0.811358
  H      -5.165871      4.138148     -1.660637
  H      -7.375439      3.196724     -0.486529
  H      -8.656838      1.168768      0.161303
  H      -3.687006     -1.761462      4.657586
  H      -4.141858      1.931418      2.036767
  H      -7.697687     10.557480     -0.801312
  H      -6.399570     10.044122     -1.918539
  H      -8.097075      9.537213     -2.245474
  H      -5.411464     10.506483      0.214798
  H      -3.896537     10.421688      2.202815
  H      -4.659451      3.695303      3.688942
  H      -6.880175      6.533383      1.184830
  H     -13.949620     -1.516411      2.211859
  H     -12.917923     -0.450623      1.204007
  H     -13.883295      0.255771      2.541591
  H     -11.965246      1.579679      2.027313
  H     -10.144506      3.234583      2.420859
  H      -6.533233      1.525264      7.239749
  H     -10.011254     -1.128060      4.818339
  N      -1.995352      1.964742      3.355610
  N      -1.350350      1.979952      2.338884
  H      -0.312112      1.965353      2.428772
89
Coordinates from ORCA-job orca E -6723.993053156250
  N      -2.656475      0.011149      5.276871
  Mo     -3.286756      1.891660      4.709688
  N      -4.771430      1.938626      6.184767
  C      -4.306803      2.663776      7.370401
  C      -2.891715      2.229249      7.711597
  N      -1.985513      2.177986      6.496929
  C      -1.037944      1.017061      6.629478
  C      -1.798455     -0.284318      6.394385
  C      -1.203923      3.452849      6.317785
  C      -2.124459      4.563132      5.835470
  N      -3.070578      3.909273      4.954395
  H      -1.094601     -1.097969      6.164858
  H      -2.387795     -0.587817      7.275638
  H      -0.273030      1.140231      5.852174
  H      -0.552236      1.046899      7.617254
  H      -2.653961      5.064378      6.662619
  H      -1.557386      5.340017      5.298049
  H      -0.699066      3.706544      7.262159
  H      -0.440589      3.244499      5.556036
  H      -4.952599      2.461530      8.240774
  H      -4.359150      3.746898      7.177287
  H      -2.930816      1.215084      8.125295
  H      -2.431142      2.887470      8.464108
  C      -5.145805      4.748200     -0.795534
  C      -4.792286      3.898042      0.391855
  O      -3.832091      4.138162      1.057152
  C      -5.646403      2.715495      0.729809
  C      -6.933198      2.491911      0.181237
  C      -7.673705      1.352884      0.542808
  C      -7.125223      0.433112      1.439852
  F      -7.859413     -0.649250      1.759849
  C      -5.846998      0.630005      2.026924
  C      -5.246918     -0.355277      2.965465
  O      -5.543113     -1.527794      3.029322
  N      -4.217568      0.152583      3.787360
  C      -3.537265     -0.682337      4.585280
  C      -5.137298      1.780789      1.640712
  C      -7.287660      9.769650     -1.432487
  C      -7.071144      8.492980     -0.670265
  O      -7.573000      7.446791     -1.042954
  C      -6.214756      8.520035      0.548919
  C      -5.430587      9.620469      0.895482
  C      -4.610925      9.569302      2.013950
  C      -4.568071      8.414974      2.785640
  F      -3.770670      8.420518      3.866011
  C      -5.346331      7.296811      2.483829
  C      -5.353785      6.001991      3.220717
  O      -6.291915      5.220320      3.101497
  N      -4.223874      5.739721      4.008952
  C      -4.003089      4.468452      4.196217
  C      -6.172676      7.390793      1.362395
  C     -13.319944     -0.769253      2.340433
  C     -12.175668     -0.989115      3.283643
  O     -12.094728     -2.008029      3.914938
  C     -11.131464      0.077167      3.430722
  C     -11.205328      1.313133      2.756694
  C     -10.205634      2.276822      2.924896
  C      -9.124201      1.999705      3.756145
  F      -8.175802      2.950848      3.907735
  C      -9.010812      0.776368      4.459287
  C      -7.904140      0.452148      5.407340
  O      -8.048044     -0.351495      6.284270
  N      -6.688172      1.056453      5.186545
  C      -6.045675      1.493368      6.229287
  C     -10.038941     -0.170618      4.290672
  H      -6.164081      5.162991     -0.718982
  H      -4.427853      5.573036     -0.875739
  H      -5.117648      4.140008     -1.716903
  H      -7.364604      3.204541     -0.521395
  H      -8.675044      1.165501      0.143803
  H      -3.714296     -1.764158      4.651512
  H      -4.117529      1.947645      2.005137
  H      -7.671472     10.553740     -0.782759
  H      -6.342419     10.129630     -1.842959
  H      -7.986782      9.593621     -2.248366
  H      -5.447045     10.523585      0.288787
  H      -3.997365     10.412560      2.303463
  H      -4.642194      3.704823      3.667573
  H      -6.797624      6.542731      1.119654
  H     -13.965823     -1.664089      2.323099
  H     -12.947770     -0.556720      1.328373
  H     -13.909664      0.095942      2.659812
  H     -12.052384      1.538329      2.098304
  H     -10.243513      3.242414      2.429332
  H      -6.545940      1.556020      7.208863
  H      -9.986927     -1.119919      4.824320
  N      -1.989040      1.951400      3.365764
  N      -1.339967      1.958310      2.356329
  H      -0.309957      1.935501      2.450885
89
Coordinates from ORCA-job orca E -6723.994826576355
  N      -2.649959      0.012707      5.272373
  Mo     -3.297079      1.891485      4.706026
  N      -4.777628      1.926787      6.184823
  C      -4.311592      2.654144      7.368884
  C      -2.889032      2.228176      7.705469
  N      -1.984045      2.184807      6.489168
  C      -1.026464      1.029089      6.617893
  C      -1.782445     -0.278342      6.385757
  C      -1.209158      3.465130      6.308016
  C      -2.138487      4.570963      5.827183
  N      -3.085962      3.912444      4.951060
  H      -1.070124     -1.087449      6.154088
  H      -2.368227     -0.590080      7.268724
  H      -0.262755      1.159934      5.839703
  H      -0.535752      1.058897      7.602997
  H      -2.666708      5.070524      6.654743
  H      -1.577280      5.351620      5.287987
  H      -0.701459      3.721819      7.250521
  H      -0.446534      3.261423      5.545407
  H      -4.952262      2.445181      8.240982
  H      -4.372939      3.738555      7.178329
  H      -2.920337      1.211717      8.116755
  H      -2.430751      2.887749      8.457347
  C      -5.204035      4.759637     -0.746855
  C      -4.804507      3.904572      0.433981
  O      -3.766802      4.163232      1.113395
  C      -5.644188      2.708937      0.771471
  C      -6.906144      2.490803      0.232368
  C      -7.634327      1.358515      0.582489
  C      -7.095435      0.435534      1.468468
  F      -7.825156     -0.641111      1.784367
  C      -5.836452      0.622965      2.045741
  C      -5.247186     -0.365619      2.973425
  O      -5.555114     -1.534786      3.018949
  N      -4.222017      0.141114      3.789269
  C      -3.534272     -0.686799      4.583645
  C      -5.132434      1.769108      1.669129
  C      -7.289453      9.758204     -1.434320
  C      -7.110939      8.487170     -0.639391
  O      -7.671217      7.447592     -0.967757
  C      -6.217582      8.521263      0.558936
  C      -5.382019      9.610378      0.861052
  C      -4.533260      9.563400      1.958980
  C      -4.510493      8.422060      2.752099
  F      -3.677319      8.433765      3.809226
  C      -5.337672      7.315352      2.493641
  C      -5.366801      6.028595      3.246692
  O      -6.327607      5.272439      3.153895
  N      -4.233544      5.746673      4.019215
  C      -4.021981      4.472869      4.200430
  C      -6.194187      7.405982      1.393741
  C     -13.324341     -0.739749      2.300367
  C     -12.166191     -1.023558      3.283782
  O     -12.090889     -2.060415      3.949928
  C     -11.121548      0.046815      3.421834
  C     -11.188482      1.281554      2.723203
  C     -10.198470      2.246173      2.884096
  C      -9.133311      1.977838      3.728879
  F      -8.211528      2.958441      3.856024
  C      -9.025495      0.757625      4.454006
  C      -7.922362      0.427113      5.422481
  O      -8.075503     -0.384498      6.317147
  N      -6.694647      1.030946      5.190185
  C      -6.051930      1.471725      6.229949
  C     -10.056589     -0.167748      4.273653
  H      -6.219876      5.159935     -0.639425
  H      -4.494649      5.590856     -0.846227
  H      -5.197048      4.159463     -1.668302
  H      -7.336349      3.209251     -0.465114
  H      -8.621097      1.174737      0.183481
  H      -3.705950     -1.770256      4.651774
  H      -4.127112      1.934275      2.035286
  H      -7.628328     10.588016     -0.786797
  H      -6.328412     10.070676     -1.888489
  H      -8.022405      9.579768     -2.229325
  H      -5.382008     10.503607      0.236092
  H      -3.879019     10.400892      2.215447
  H      -4.663964      3.708728      3.669957
  H      -6.855946      6.563987      1.181498
  H     -13.973576     -1.599989      2.287074
  H     -12.984089     -0.553639      1.269165
  H     -13.895520      0.160194      2.607201
  H     -12.014525      1.480778      2.066378
  H     -10.237361      3.204457      2.373318
  H      -6.554887      1.523985      7.214319
  H     -10.014375     -1.086018      4.805646
  N      -2.008982      1.963767      3.348961
  N      -1.370693      1.977231      2.333282
  H      -0.331108      1.966399      2.417271
89
Coordinates from ORCA-job orca E -6723.995352446984
  N      -2.652532      0.012428      5.276349
  Mo     -3.297502      1.887037      4.706175
  N      -4.774999      1.932149      6.187486
  C      -4.305415      2.661494      7.367650
  C      -2.884703      2.233238      7.703285
  N      -1.984305      2.183729      6.485839
  C      -1.028942      1.028482      6.615426
  C      -1.785967     -0.275551      6.387113
  C      -1.210296      3.459943      6.299948
  C      -2.139462      4.564501      5.818904
  N      -3.088966      3.906796      4.945479
  H      -1.077631     -1.085617      6.155816
  H      -2.368533     -0.581725      7.269666
  H      -0.267682      1.154477      5.836244
  H      -0.538059      1.060279      7.598815
  H      -2.665486      5.065112      6.646033
  H      -1.579262      5.341779      5.277910
  H      -0.700972      3.717765      7.240676
  H      -0.450567      3.254140      5.536734
  H      -4.944272      2.457951      8.240978
  H      -4.363778      3.743804      7.173551
  H      -2.917246      1.220295      8.118773
  H      -2.423970      2.894142      8.451175
  C      -5.212923      4.734131     -0.737547
  C      -4.832867      3.879736      0.438194
  O      -3.818433      4.129226      1.130814
  C      -5.675308      2.688224      0.766870
  C      -6.950417      2.464542      0.221003
  C      -7.675131      1.338066      0.569054
  C      -7.123451      0.421302      1.455608
  F      -7.849867     -0.655654      1.766983
  C      -5.855767      0.613461      2.038729
  C      -5.257919     -0.375416      2.970372
  O      -5.568488     -1.565621      3.016270
  N      -4.224832      0.139173      3.791608
  C      -3.534633     -0.688129      4.591175
  C      -5.157033      1.755323      1.666774
  C      -7.295173      9.776035     -1.443171
  C      -7.098273      8.501776     -0.656249
  O      -7.638306      7.452116     -0.996341
  C      -6.214614      8.537401      0.553439
  C      -5.392749      9.633787      0.874327
  C      -4.553724      9.583164      1.982928
  C      -4.526022      8.433224      2.770113
  F      -3.705616      8.442449      3.838673
  C      -5.341290      7.318966      2.493263
  C      -5.370250      6.023792      3.238915
  O      -6.336323      5.260314      3.135786
  N      -4.235600      5.740560      4.013578
  C      -4.025868      4.467271      4.196818
  C      -6.187200      7.414118      1.382554
  C     -13.268974     -0.742860      2.288830
  C     -12.156790     -0.962140      3.247235
  O     -12.105725     -2.019674      3.915613
  C     -11.103702      0.101802      3.400544
  C     -11.141321      1.321231      2.718482
  C     -10.140061      2.259563      2.902765
  C      -9.090342      1.970027      3.762939
  F      -8.144585      2.909820      3.922157
  C      -9.018518      0.775553      4.462386
  C      -7.939607      0.437431      5.431834
  O      -8.134995     -0.407959      6.355586
  N      -6.694631      1.044436      5.202491
  C      -6.048756      1.484665      6.236670
  C     -10.048019     -0.145743      4.276652
  H      -6.231171      5.136350     -0.647631
  H      -4.512072      5.565203     -0.823542
  H      -5.186244      4.132416     -1.654589
  H      -7.388507      3.179879     -0.476560
  H      -8.678103      1.150302      0.170856
  H      -3.705602     -1.770227      4.661760
  H      -4.139352      1.925677      2.034089
  H      -7.654032     10.590559     -0.794038
  H      -6.340259     10.107004     -1.879453
  H      -8.016811      9.599196     -2.248550
  H      -5.396710     10.531295      0.255671
  H      -3.912867     10.422652      2.253287
  H      -4.669985      3.706306      3.670741
  H      -6.839063      6.570078      1.157470
  H     -13.930652     -1.637007      2.272902
  H     -12.858392     -0.550450      1.291332
  H     -13.859095      0.127247      2.578369
  H     -11.966002      1.554314      2.036602
  H     -10.160015      3.229223      2.389389
  H      -6.548115      1.548473      7.220110
  H     -10.008842     -1.121456      4.844981
  N      -2.006875      1.951540      3.347432
  N      -1.364953      1.960541      2.332375
  H      -0.329317      1.937232      2.420773
89
Coordinates from ORCA-job orca E -6723.992123479624
  N      -2.632260      0.011967      5.288181
  Mo     -3.279064      1.886243      4.718188
  N      -4.759811      1.926574      6.195791
  C      -4.295468      2.657520      7.376842
  C      -2.875827      2.234316      7.714601
  N      -1.973214      2.186578      6.498522
  C      -1.016879      1.033407      6.631745
  C      -1.768107     -0.273638      6.402778
  C      -1.201550      3.465548      6.313949
  C      -2.131454      4.568115      5.831226
  N      -3.077427      3.907725      4.954804
  H      -1.058222     -1.081922      6.172746
  H      -2.351698     -0.579886      7.285777
  H      -0.254763      1.160118      5.853095
  H      -0.528524      1.069512      7.617408
  H      -2.661228      5.068228      6.657715
  H      -1.570986      5.346755      5.290564
  H      -0.696194      3.724657      7.256287
  H      -0.438566      3.261103      5.551899
  H      -4.936587      2.451624      8.249138
  H      -4.356648      3.739637      7.181807
  H      -2.906207      1.220917      8.130845
  H      -2.417660      2.897489      8.463364
  C      -5.216027      4.735426     -0.760787
  C      -4.840606      3.879048      0.412645
  O      -3.883086      4.110067      1.073768
  C      -5.672282      2.690426      0.744835
  C      -6.954896      2.450723      0.190114
  C      -7.675611      1.307752      0.548729
  C      -7.117884      0.396291      1.445217
  F      -7.841738     -0.692877      1.764978
  C      -5.844081      0.606627      2.035865
  C      -5.237659     -0.379193      2.975402
  O      -5.539660     -1.582553      3.032874
  N      -4.201958      0.141865      3.802348
  C      -3.509944     -0.688573      4.601715
  C      -5.151596      1.762122      1.654586
  C      -7.320846      9.761671     -1.451394
  C      -7.117224      8.487245     -0.663305
  O      -7.659805      7.420977     -1.004325
  C      -6.229729      8.528937      0.547977
  C      -5.411794      9.635170      0.871771
  C      -4.569284      9.588582      1.985925
  C      -4.534349      8.435088      2.776298
  F      -3.713551      8.447160      3.850932
  C      -5.345592      7.311206      2.495407
  C      -5.366484      6.014490      3.243444
  O      -6.327775      5.237188      3.135537
  N      -4.230538      5.740825      4.022906
  C      -4.013495      4.468467      4.202934
  C      -6.193533      7.402764      1.379573
  C     -13.321181     -0.659369      2.240207
  C     -12.173891     -0.947451      3.220078
  O     -12.118576     -1.963330      3.843825
  C     -11.111395      0.083045      3.406744
  C     -11.158979      1.312985      2.746533
  C     -10.154871      2.266684      2.939224
  C      -9.088925      1.969533      3.791803
  F      -8.126754      2.900231      3.977978
  C      -8.997411      0.742836      4.486043
  C      -7.912164      0.411470      5.439545
  O      -8.092309     -0.430289      6.338669
  N      -6.677868      1.032532      5.213551
  C      -6.032501      1.475598      6.246908
  C     -10.029670     -0.190210      4.292094
  H      -6.242234      5.139060     -0.669446
  H      -4.509673      5.566844     -0.840173
  H      -5.189236      4.136473     -1.689622
  H      -7.394351      3.158688     -0.512042
  H      -8.678026      1.109036      0.149837
  H      -3.677914     -1.768917      4.670741
  H      -4.137534      1.941890      2.023443
  H      -7.678066     10.572483     -0.801204
  H      -6.371447     10.099157     -1.892127
  H      -8.043757      9.580727     -2.255002
  H      -5.422100     10.534288      0.252239
  H      -3.933318     10.432624      2.257822
  H      -4.654289      3.710203      3.674784
  H      -6.840698      6.554366      1.154306
  H     -13.977888     -1.533894      2.204980
  H     -12.975368     -0.454721      1.208426
  H     -13.877926      0.235642      2.567660
  H     -11.996149      1.556350      2.067330
  H     -10.175755      3.240830      2.447178
  H      -6.527051      1.534991      7.230093
  H     -10.003659     -1.126714      4.807489
  N      -1.985281      1.950996      3.366107
  N      -1.341028      1.959795      2.350085
  H      -0.309072      1.938509      2.439174
89
Coordinates from ORCA-job orca E -6723.996857737533
  N      -2.652025      0.010499      5.277963
  Mo     -3.301301      1.884848      4.702605
  N      -4.783011      1.921937      6.179931
  C      -4.319933      2.653987      7.362304
  C      -2.896558      2.234296      7.699552
  N      -1.991446      2.188145      6.483333
  C      -1.031233      1.036595      6.618426
  C      -1.782869     -0.273798      6.392321
  C      -1.220145      3.469253      6.296270
  C      -2.151719      4.570543      5.812561
  N      -3.099034      3.907114      4.939531
  H      -1.069153     -1.081714      6.161851
  H      -2.366158     -0.582735      7.278511
  H      -0.268316      1.165179      5.838929
  H      -0.541300      1.074048      7.604238
  H      -2.680034      5.072249      6.639062
  H      -1.592670      5.350265      5.269350
  H      -0.712841      3.730645      7.237637
  H      -0.457804      3.264078      5.533309
  H      -4.959990      2.445531      8.235385
  H      -4.385170      3.737598      7.168358
  H      -2.924256      1.219427      8.115524
  H      -2.439816      2.898644      8.448881
  C      -5.183356      4.752106     -0.750300
  C      -4.801599      3.898788      0.430940
  O      -3.800255      4.158261      1.100678
  C      -5.647942      2.701256      0.767692
  C      -6.912041      2.477892      0.221979
  C      -7.640234      1.336681      0.570353
  C      -7.100365      0.413296      1.459554
  F      -7.828638     -0.670239      1.773015
  C      -5.841667      0.607053      2.042764
  C      -5.247301     -0.381290      2.970932
  O      -5.543330     -1.550266      3.022334
  N      -4.220965      0.131779      3.790882
  C      -3.531953     -0.693650      4.591049
  C      -5.139150      1.760618      1.668259
  C      -7.252481      9.798367     -1.436599
  C      -7.074533      8.523103     -0.650799
  O      -7.625869      7.485067     -0.993413
  C      -6.197153      8.546212      0.556398
  C      -5.371185      9.631937      0.874321
  C      -4.537533      9.575373      1.981154
  C      -4.520397      8.428319      2.767653
  F      -3.704351      8.429823      3.834496
  C      -5.338260      7.325059      2.493490
  C      -5.373657      6.034712      3.242413
  O      -6.336761      5.281143      3.143844
  N      -4.241882      5.745915      4.015538
  C      -4.036387      4.470293      4.191183
  C      -6.179117      7.425138      1.384473
  C     -13.321155     -0.793192      2.358293
  C     -12.168484     -1.012486      3.287404
  O     -12.074180     -2.043422      3.944424
  C     -11.135977      0.063652      3.409558
  C     -11.209106      1.302928      2.717226
  C     -10.213276      2.262778      2.882919
  C      -9.130431      1.969493      3.737528
  F      -8.195817      2.940100      3.879256
  C      -9.025077      0.753971      4.447095
  C      -7.923074      0.421424      5.410092
  O      -8.074140     -0.385431      6.286917
  N      -6.698102      1.025909      5.183094
  C      -6.056754      1.468293      6.224357
  C     -10.059011     -0.167549      4.263749
  H      -6.204165      5.162703     -0.645221
  H      -4.459409      5.585499     -0.845956
  H      -5.175884      4.139743     -1.679292
  H      -7.339834      3.195191     -0.476886
  H      -8.621394      1.147539      0.166147
  H      -3.700049     -1.777913      4.662131
  H      -4.131197      1.929681      2.035175
  H      -7.603517     10.617446     -0.791223
  H      -6.292482     10.117802     -1.871561
  H      -7.971150      9.626765     -2.241518
  H      -5.367832     10.529575      0.255453
  H      -3.892072     10.409518      2.250128
  H      -4.681330      3.712280      3.661095
  H      -6.834103      6.586509      1.160664
  H     -13.950461     -1.670531      2.371378
  H     -12.941027     -0.590606      1.346409
  H     -13.946683      0.077117      2.668195
  H     -12.039772      1.507548      2.066593
  H     -10.249778      3.215884      2.385256
  H      -6.560071      1.525664      7.205277
  H     -10.010414     -1.103832      4.800523
  N      -2.014429      1.956666      3.344124
  N      -1.379566      1.969029      2.324708
  H      -0.341342      1.957356      2.404894
89
Coordinates from ORCA-job orca E -6723.995578621073
  N      -2.652251      0.012067      5.285214
  Mo     -3.295104      1.885808      4.704148
  N      -4.774433      1.938626      6.180894
  C      -4.305855      2.672392      7.359922
  C      -2.886495      2.245099      7.700276
  N      -1.984398      2.189086      6.484308
  C      -1.030578      1.033130      6.621820
  C      -1.785760     -0.272460      6.397431
  C      -1.209072      3.464454      6.292789
  C      -2.136173      4.568127      5.805148
  N      -3.087000      3.907809      4.934410
  H      -1.077560     -1.082744      6.169666
  H      -2.367592     -0.576645      7.280726
  H      -0.268705      1.155028      5.843161
  H      -0.541239      1.069799      7.606119
  H      -2.661279      5.074257      6.629828
  H      -1.575518      5.342426      5.260438
  H      -0.699545      3.726560      7.232417
  H      -0.449513      3.253405      5.530897
  H      -4.945431      2.471978      8.233427
  H      -4.364155      3.753912      7.161566
  H      -2.919841      1.234580      8.121240
  H      -2.426840      2.909580      8.445755
  C      -5.262629      4.720522     -0.731535
  C      -4.857844      3.866942      0.450183
  O      -3.829011      4.117181      1.137455
  C      -5.686254      2.674488      0.780581
  C      -6.965364      2.443783      0.236898
  C      -7.675632      1.312197      0.583503
  C      -7.108433      0.399297      1.470439
  F      -7.819042     -0.680138      1.781258
  C      -5.841127      0.599680      2.054624
  C      -5.235093     -0.380451      2.989779
  O      -5.534784     -1.559008      3.042320
  N      -4.215093      0.131487      3.801927
  C      -3.531077     -0.690686      4.602588
  C      -5.153115      1.746295      1.679774
  C      -7.272028      9.804840     -1.429050
  C      -7.079141      8.530768     -0.653002
  O      -7.621377      7.492988     -1.002264
  C      -6.194866      8.556321      0.555108
  C      -5.371382      9.645007      0.882241
  C      -4.532100      9.588474      1.990099
  C      -4.507144      8.439879      2.769778
  F      -3.687326      8.442640      3.839288
  C      -5.323562      7.333174      2.486357
  C      -5.357539      6.040045      3.226835
  O      -6.323990      5.285824      3.124311
  N      -4.226452      5.749174      4.002714
  C      -4.023291      4.473503      4.185292
  C      -6.168912      7.433324      1.376087
  C     -13.301410     -0.738364      2.263308
  C     -12.160261     -1.004136      3.253456
  O     -12.100112     -2.052918      3.910425
  C     -11.101628      0.050829      3.418885
  C     -11.157000      1.267788      2.744005
  C     -10.160740      2.221937      2.915683
  C      -9.111210      1.972473      3.738753
  F      -8.183061      2.945952      3.869570
  C      -9.013412      0.769151      4.445529
  C      -7.916070      0.443937      5.408731
  O      -8.082417     -0.377921      6.321340
  N      -6.689077      1.051508      5.186130
  C      -6.048885      1.493671      6.225538
  C     -10.036080     -0.175646      4.277261
  H      -6.279703      5.111612     -0.638004
  H      -4.571086      5.549255     -0.822471
  H      -5.242169      4.131681     -1.648764
  H      -7.417901      3.155117     -0.459482
  H      -8.678685      1.119575      0.184588
  H      -3.701852     -1.770509      4.679026
  H      -4.135774      1.922335      2.045554
  H      -7.627935     10.611658     -0.776375
  H      -6.315943     10.137300     -1.860812
  H      -7.993763      9.633767     -2.235732
  H      -5.374187     10.542996      0.269159
  H      -3.888969     10.423997      2.265785
  H      -4.671695      3.717752      3.660796
  H      -6.824071      6.594010      1.146772
  H     -13.964869     -1.619043      2.228122
  H     -12.945812     -0.540601      1.240638
  H     -13.854259      0.146456      2.573473
  H     -12.000133      1.500668      2.065042
  H     -10.201640      3.204137      2.395235
  H      -6.552609      1.558487      7.207049
  H      -9.984184     -1.138742      4.835032
  N      -2.007309      1.944998      3.348342
  N      -1.369738      1.950185      2.333564
  H      -0.334086      1.923309      2.418182
89
Coordinates from ORCA-job orca E -6723.994884839452
  N      -2.632786      0.010762      5.281140
  Mo     -3.293374      1.878183      4.709827
  N      -4.770428      1.908555      6.194742
  C      -4.305948      2.642905      7.372851
  C      -2.879375      2.230727      7.703254
  N      -1.981047      2.188541      6.483334
  C      -1.014133      1.042864      6.613097
  C      -1.760890     -0.269264      6.390429
  C      -1.218416      3.472417      6.293883
  C      -2.159314      4.568535      5.816449
  N      -3.106714      3.902576      4.945554
  H      -1.046324     -1.073845      6.155951
  H      -2.338890     -0.578087      7.276904
  H      -0.254885      1.174765      5.831257
  H      -0.522342      1.082682      7.595860
  H      -2.688333      5.065147      6.645101
  H      -1.606049      5.351097      5.272887
  H      -0.710385      3.735044      7.233725
  H      -0.457339      3.273796      5.528510
  H      -4.941701      2.431443      8.247652
  H      -4.376508      3.725372      7.178848
  H      -2.900126      1.216967      8.120501
  H      -2.422376      2.897829      8.448465
  C      -5.197089      4.752411     -0.730176
  C      -4.823512      3.892614      0.429018
  O      -3.826018      4.143146      1.105227
  C      -5.662725      2.693035      0.758163
  C      -6.926490      2.458496      0.203172
  C      -7.661712      1.320335      0.553410
  C      -7.123267      0.404352      1.443294
  F      -7.863955     -0.681260      1.758694
  C      -5.856545      0.606384      2.030665
  C      -5.260761     -0.388080      2.958063
  O      -5.573314     -1.586397      3.005765
  N      -4.215865      0.135002      3.791887
  C      -3.514271     -0.694134      4.591247
  C      -5.155945      1.758893      1.661213
  C      -7.296482      9.756402     -1.463060
  C      -7.114564      8.484999     -0.656002
  O      -7.673318      7.426573     -0.977440
  C      -6.224665      8.529096      0.552063
  C      -5.388997      9.629876      0.857676
  C      -4.547150      9.585702      1.968342
  C      -4.529494      8.438607      2.772859
  F      -3.705720      8.454425      3.842540
  C      -5.357166      7.319708      2.509677
  C      -5.395040      6.027403      3.269666
  O      -6.366586      5.264775      3.171228
  N      -4.256858      5.739974      4.036386
  C      -4.048745      4.464870      4.204641
  C      -6.205466      7.409278      1.397157
  C     -13.281277     -0.696363      2.270374
  C     -12.169689     -0.945373      3.243385
  O     -12.135060     -1.993083      3.896505
  C     -11.107410      0.108014      3.409469
  C     -11.137365      1.343310      2.727155
  C     -10.136125      2.285635      2.912289
  C      -9.083166      1.962814      3.787605
  F      -8.117722      2.859709      3.975926
  C      -9.016692      0.749901      4.490101
  C      -7.944335      0.403936      5.456322
  O      -8.147521     -0.454932      6.375657
  N      -6.694267      1.009945      5.222724
  C      -6.043989      1.454247      6.250761
  C     -10.053679     -0.159727      4.292744
  H      -6.212865      5.160576     -0.632041
  H      -4.497249      5.585010     -0.810740
  H      -5.171041      4.150564     -1.645754
  H      -7.350846      3.173295     -0.496852
  H      -8.665535      1.124409      0.153798
  H      -3.675345     -1.777616      4.655488
  H      -4.147136      1.936557      2.032511
  H      -7.643389     10.588318     -0.820173
  H      -6.337763     10.072236     -1.912039
  H      -8.022446      9.575493     -2.264537
  H      -5.385137     10.523860      0.225967
  H      -3.896619     10.427096      2.226497
  H      -4.694101      3.710309      3.675282
  H      -6.865659      6.563756      1.183424
  H     -13.951054     -1.588381      2.242834
  H     -12.869167     -0.498042      1.269889
  H     -13.863222      0.176902      2.566590
  H     -11.951838      1.579964      2.049030
  H     -10.143277      3.252049      2.410177
  H      -6.538292      1.517632      7.236214
  H     -10.038976     -1.099448      4.825197
  N      -2.002618      1.953519      3.346609
  N      -1.364818      1.968608      2.325801
  H      -0.331594      1.942287      2.408736
89
Coordinates from ORCA-job orca E -6723.996650673114
  N      -2.644794      0.011569      5.294555
  Mo     -3.293697      1.882780      4.706135
  N      -4.774830      1.930801      6.180047
  C      -4.312347      2.668788      7.359532
  C      -2.890232      2.252163      7.700374
  N      -1.985683      2.197505      6.484768
  C      -1.026303      1.047576      6.628989
  C      -1.774702     -0.264168      6.409252
  C      -1.215556      3.476408      6.288729
  C      -2.146514      4.574177      5.798207
  N      -3.095837      3.907138      4.929616
  H      -1.061704     -1.071333      6.182660
  H      -2.355104     -0.568486      7.296533
  H      -0.264617      1.169827      5.848956
  H      -0.536936      1.093464      7.615076
  H      -2.672878      5.081398      6.622130
  H      -1.588729      5.349255      5.249817
  H      -0.707007      3.743773      7.227849
  H      -0.455319      3.265162      5.526245
  H      -4.951556      2.464986      8.233833
  H      -4.378123      3.750175      7.159683
  H      -2.916968      1.241703      8.124367
  H      -2.434258      2.922149      8.445093
  C      -5.279805      4.716280     -0.745259
  C      -4.867435      3.868542      0.442986
  O      -3.892132      4.123233      1.104662
  C      -5.693415      2.665733      0.781448
  C      -6.967851      2.421193      0.233955
  C      -7.668035      1.271290      0.581874
  C      -7.099345      0.359318      1.472462
  F      -7.796014     -0.735867      1.782410
  C      -5.839274      0.574706      2.060567
  C      -5.223456     -0.403754      2.995216
  O      -5.509061     -1.592796      3.049110
  N      -4.203903      0.118619      3.809586
  C      -3.517376     -0.699671      4.615306
  C      -5.160171      1.736700      1.684197
  C      -7.227705      9.845052     -1.434231
  C      -7.050822      8.565643     -0.657885
  O      -7.606376      7.524536     -1.009442
  C      -6.174335      8.579755      0.553788
  C      -5.349287      9.662632      0.889021
  C      -4.521178      9.595546      2.003544
  C      -4.507426      8.442421      2.780792
  F      -3.699415      8.433745      3.856686
  C      -5.323262      7.341391      2.487884
  C      -5.364159      6.046317      3.227149
  O      -6.334644      5.294535      3.122086
  N      -4.234059      5.750677      4.004400
  C      -4.033233      4.474033      4.181454
  C      -6.158739      7.452327      1.372068
  C     -13.323437     -0.764540      2.310072
  C     -12.158382     -1.007444      3.242636
  O     -12.058652     -2.033310      3.876831
  C     -11.125613      0.062647      3.383376
  C     -11.205121      1.303244      2.713907
  C     -10.206639      2.258199      2.897543
  C      -9.116242      1.963051      3.746137
  F      -8.177837      2.938862      3.905432
  C      -9.005213      0.741898      4.437175
  C      -7.906573      0.411650      5.397188
  O      -8.061983     -0.415264      6.275763
  N      -6.683436      1.038314      5.178799
  C      -6.047747      1.482503      6.221019
  C     -10.032782     -0.190201      4.247889
  H      -6.313287      5.104842     -0.631869
  H      -4.568331      5.560648     -0.849252
  H      -5.274024      4.110578     -1.684946
  H      -7.417519      3.128995     -0.464868
  H      -8.646981      1.066154      0.175940
  H      -3.684019     -1.783786      4.697517
  H      -4.144530      1.921798      2.048479
  H      -7.579261     10.656913     -0.785011
  H      -6.267849     10.168230     -1.861168
  H      -7.944943      9.681139     -2.243124
  H      -5.344373     10.563987      0.278968
  H      -3.879292     10.425341      2.286327
  H      -4.683139      3.721561      3.655177
  H      -6.813787      6.618660      1.136370
  H     -13.947806     -1.634322      2.307715
  H     -12.979349     -0.551585      1.288068
  H     -13.930287      0.115613      2.644922
  H     -12.040843      1.509410      2.069847
  H     -10.242177      3.207811      2.421064
  H      -6.553179      1.545789      7.198570
  H      -9.974051     -1.148675      4.782621
  N      -2.008832      1.946031      3.349126
  N      -1.375942      1.952571      2.328479
  H      -0.338617      1.936223      2.407525
89
Coordinates from ORCA-job orca E -6723.994929223561
  N      -2.655258      0.009743      5.285885
  Mo     -3.305293      1.879747      4.698702
  N      -4.782868      1.927414      6.178451
  C      -4.316264      2.665147      7.354712
  C      -2.892911      2.246727      7.691906
  N      -1.991692      2.191985      6.474567
  C      -1.031617      1.041006      6.614698
  C      -1.782801     -0.269968      6.397338
  C      -1.220507      3.470456      6.277228
  C      -2.152367      4.569778      5.789485
  N      -3.104645      3.904336      4.923733
  H      -1.069670     -1.078955      6.168402
  H      -2.362042     -0.575958      7.286151
  H      -0.270029      1.165443      5.833935
  H      -0.540928      1.082568      7.598709
  H      -2.676860      5.077253      6.614212
  H      -1.594479      5.345314      5.240345
  H      -0.709463      3.736510      7.214853
  H      -0.461402      3.260280      5.513359
  H      -4.954052      2.461453      8.229798
  H      -4.381467      3.747167      7.154978
  H      -2.919951      1.235649      8.115774
  H      -2.434585      2.915855      8.434973
  C      -5.201528      4.741905     -0.725320
  C      -4.820441      3.878912      0.441784
  O      -3.803195      4.126194      1.108291
  C      -5.658271      2.685220      0.773554
  C      -6.925297      2.459360      0.227386
  C      -7.652076      1.317925      0.577016
  C      -7.107690      0.396459      1.465757
  F      -7.840213     -0.686341      1.782391
  C      -5.845755      0.593064      2.048883
  C      -5.252950     -0.391411      2.980415
  O      -5.550138     -1.557365      3.037000
  N      -4.224620      0.123496      3.798876
  C      -3.535014     -0.697215      4.602502
  C      -5.145116      1.747099      1.673472
  C      -7.246172      9.828147     -1.428322
  C      -7.070226      8.551390     -0.646087
  O      -7.622587      7.515714     -0.992132
  C      -6.187631      8.569807      0.560227
  C      -5.355507      9.652418      0.880859
  C      -4.517259      9.590386      1.986205
  C      -4.502637      8.441607      2.769585
  F      -3.682154      8.438435      3.835762
  C      -5.328194      7.341189      2.493025
  C      -5.371158      6.049591      3.238554
  O      -6.342894      5.304323      3.143141
  N      -4.239611      5.750655      4.007657
  C      -4.043931      4.473072      4.180922
  C      -6.171740      7.446781      1.384935
  C     -13.304624     -0.800925      2.319773
  C     -12.174861     -1.016742      3.286714
  O     -12.108638     -2.042042      3.951365
  C     -11.122196      0.033523      3.434675
  C     -11.180816      1.243251      2.743135
  C     -10.186941      2.205278      2.898941
  C      -9.124111      1.944871      3.743000
  F      -8.202075      2.937936      3.855831
  C      -9.027332      0.747598      4.460696
  C      -7.929374      0.430672      5.422549
  O      -8.089447     -0.364823      6.313536
  N      -6.702058      1.029305      5.192981
  C      -6.057567      1.477636      6.228513
  C     -10.060526     -0.176538      4.286191
  H      -6.213694      5.151085     -0.623605
  H      -4.490058      5.570693     -0.812493
  H      -5.188892      4.144366     -1.647739
  H      -7.361294      3.175323     -0.469107
  H      -8.646588      1.130546      0.178077
  H      -3.701899     -1.777873      4.679220
  H      -4.140721      1.917544      2.042060
  H      -7.596119     10.644305     -0.780328
  H      -6.285018     10.147601     -1.859578
  H      -7.965359      9.661858     -2.235313
  H      -5.349720     10.550828      0.264182
  H      -3.866314     10.421634      2.256660
  H      -4.696918      3.722679      3.656638
  H      -6.831634      6.611630      1.159007
  H     -13.955926     -1.692687      2.311293
  H     -12.915244     -0.609041      1.302989
  H     -13.896175      0.082095      2.617520
  H     -12.031115      1.482748      2.053976
  H     -10.241743      3.207305      2.349913
  H      -6.558335      1.541932      7.211691
  H     -10.024692     -1.086819      4.819853
  N      -2.022399      1.944515      3.334581
  N      -1.390497      1.952629      2.312828
  H      -0.351611      1.928818      2.389768
89
Coordinates from ORCA-job orca E -6723.995515891499
  N      -2.637744      0.010710      5.286115
  Mo     -3.298234      1.877115      4.704469
  N      -4.775501      1.915073      6.187447
  C      -4.308691      2.653095      7.363429
  C      -2.881883      2.241394      7.696004
  N      -1.983713      2.193143      6.476334
  C      -1.016843      1.047034      6.611227
  C      -1.762888     -0.266283      6.393802
  C      -1.219907      3.475962      6.280291
  C      -2.160553      4.571322      5.798847
  N      -3.111484      3.903416      4.932673
  H      -1.047774     -1.071138      6.161092
  H      -2.338335     -0.574410      7.281511
  H      -0.258069      1.175736      5.829101
  H      -0.524520      1.089933      7.593070
  H      -2.687131      5.072668      6.626014
  H      -1.607848      5.351499      5.251518
  H      -0.708990      3.742387      7.217585
  H      -0.460810      3.272936      5.514740
  H      -4.943287      2.444482      8.239151
  H      -4.379313      3.735061      7.166299
  H      -2.902859      1.229971      8.118633
  H      -2.425033      2.911855      8.438075
  C      -5.244660      4.726844     -0.711082
  C      -4.855200      3.867211      0.450145
  O      -3.824076      4.119543      1.135283
  C      -5.686312      2.671147      0.775866
  C      -6.955061      2.438041      0.226477
  C      -7.675664      1.305375      0.570922
  C      -7.120692      0.391882      1.457107
  F      -7.850148     -0.688665      1.769667
  C      -5.853101      0.593442      2.042461
  C      -5.250833     -0.393199      2.971798
  O      -5.555688     -1.575785      3.021669
  N      -4.215846      0.125986      3.796709
  C      -3.517751     -0.696627      4.599502
  C      -5.163138      1.741364      1.674170
  C      -7.256676      9.799786     -1.452350
  C      -7.079663      8.526502     -0.657114
  O      -7.632306      7.485941     -0.991919
  C      -6.195909      8.558025      0.553137
  C      -5.360256      9.650082      0.866457
  C      -4.521868      9.598943      1.977117
  C      -4.509568      8.452371      2.774607
  F      -3.689152      8.461947      3.845912
  C      -5.338483      7.341560      2.504944
  C      -5.385423      6.049644      3.259960
  O      -6.359905      5.301222      3.161877
  N      -4.251802      5.749667      4.026794
  C      -4.054214      4.471323      4.194154
  C      -6.182473      7.437250      1.391277
  C     -13.289694     -0.726225      2.261576
  C     -12.162642     -0.996935      3.255280
  O     -12.116945     -2.051872      3.916146
  C     -11.103520      0.067868      3.416369
  C     -11.144428      1.302280      2.729367
  C     -10.145822      2.254127      2.906737
  C      -9.103878      1.978914      3.749985
  F      -8.149889      2.890163      3.918879
  C      -9.021015      0.762746      4.465681
  C      -7.934034      0.421334      5.439374
  O      -8.114281     -0.415266      6.358812
  N      -6.698303      1.020925      5.208439
  C      -6.050561      1.465485      6.240669
  C     -10.048550     -0.177178      4.289592
  H      -6.257438      5.132177     -0.614837
  H      -4.554380      5.550996     -0.791733
  H      -5.221171      4.134056     -1.622081
  H      -7.396567      3.151394     -0.469580
  H      -8.686551      1.110564      0.173012
  H      -3.678924     -1.777072      4.670964
  H      -4.150640      1.920055      2.042085
  H      -7.607893     10.621948     -0.806795
  H      -6.295965     10.118957     -1.887587
  H      -7.976546      9.626861     -2.260841
  H      -5.352085     10.545302      0.239337
  H      -3.869171     10.436387      2.241439
  H      -4.705604      3.722349      3.667912
  H      -6.845662      6.596353      1.171618
  H     -13.961437     -1.608802      2.223434
  H     -12.908399     -0.529323      1.252064
  H     -13.847900      0.149163      2.560127
  H     -11.964767      1.526200      2.055176
  H     -10.158603      3.209539      2.406030
  H      -6.548776      1.532792      7.225387
  H     -10.011071     -1.146570      4.851326
  N      -2.012250      1.948942      3.340894
  N      -1.379417      1.962046      2.320794
  H      -0.345627      1.928020      2.400496
89
Coordinates from ORCA-job orca E -6723.997491774902
  N      -2.644428      0.012857      5.301430
  Mo     -3.291399      1.879243      4.704573
  N      -4.773546      1.936245      6.177002
  C      -4.313626      2.679792      7.354203
  C      -2.892543      2.264714      7.697963
  N      -1.988036      2.202167      6.483026
  C      -1.030340      1.053410      6.632704
  C      -1.778381     -0.256777      6.416385
  C      -1.218746      3.477696      6.281982
  C      -2.148393      4.572874      5.787197
  N      -3.098305      3.904298      4.920526
  H      -1.068862     -1.064135      6.192938
  H      -2.358179     -0.554228      7.301740
  H      -0.268085      1.170075      5.853840
  H      -0.544418      1.104501      7.619464
  H      -2.674454      5.083929      6.609318
  H      -1.590519      5.343612      5.236196
  H      -0.711352      3.748949      7.220502
  H      -0.458726      3.262209      5.520643
  H      -4.953442      2.480350      8.228685
  H      -4.379299      3.759372      7.149724
  H      -2.919373      1.258399      8.127664
  H      -2.437204      2.938916      8.438547
  C      -5.328940      4.710918     -0.735459
  C      -4.891531      3.864875      0.448697
  O      -3.908606      4.134979      1.115293
  C      -5.706290      2.647747      0.790306
  C      -6.975457      2.385493      0.240108
  C      -7.667343      1.229409      0.586681
  C      -7.093904      0.325741      1.477242
  F      -7.776617     -0.777608      1.783198
  C      -5.835420      0.555970      2.067094
  C      -5.210119     -0.420420      3.000069
  O      -5.493852     -1.624684      3.050207
  N      -4.197715      0.110807      3.814505
  C      -3.512518     -0.704395      4.623401
  C      -5.166780      1.725226      1.693881
  C      -7.240145      9.850668     -1.423897
  C      -7.068732      8.573382     -0.644403
  O      -7.644129      7.532125     -0.983525
  C      -6.176271      8.587778      0.559886
  C      -5.339698      9.668355      0.890851
  C      -4.502631      9.599500      2.001495
  C      -4.490254      8.447898      2.778670
  F      -3.674211      8.438012      3.851252
  C      -5.316191      7.348887      2.488435
  C      -5.361934      6.054820      3.226808
  O      -6.340521      5.307176      3.126166
  N      -4.229311      5.752870      3.999402
  C      -4.035726      4.474987      4.174389
  C      -6.160487      7.462003      1.377146
  C     -13.306124     -0.730132      2.284538
  C     -12.155346     -0.972163      3.216156
  O     -12.068845     -2.022343      3.853041
  C     -11.108287      0.080665      3.373178
  C     -11.171033      1.314796      2.716018
  C     -10.170918      2.260208      2.904740
  C      -9.089382      1.946568      3.755912
  F      -8.147636      2.908999      3.920720
  C      -8.992523      0.730870      4.437758
  C      -7.910593      0.405892      5.386562
  O      -8.095846     -0.452003      6.289087
  N      -6.676997      1.039869      5.176277
  C      -6.046808      1.488861      6.216029
  C     -10.022003     -0.190317      4.243022
  H      -6.364270      5.084084     -0.607593
  H      -4.631665      5.564665     -0.847469
  H      -5.326745      4.110443     -1.673805
  H      -7.424935      3.088695     -0.461300
  H      -8.643157      1.010426      0.177842
  H      -3.678527     -1.791572      4.709531
  H      -4.149559      1.923523      2.059368
  H      -7.575864     10.669536     -0.770668
  H      -6.278162     10.163885     -1.866243
  H      -7.971439      9.688818     -2.224181
  H      -5.334586     10.567402      0.281498
  H      -3.853601     10.426273      2.281184
  H      -4.690682      3.727599      3.649279
  H      -6.823902      6.631450      1.144792
  H     -13.941484     -1.616208      2.275997
  H     -12.933550     -0.507444      1.272183
  H     -13.919063      0.138614      2.616209
  H     -12.005423      1.541903      2.062812
  H     -10.205539      3.235659      2.416179
  H      -6.555420      1.557828      7.191151
  H      -9.978050     -1.141850      4.767169
  N      -2.003097      1.932135      3.348547
  N      -1.370863      1.932160      2.329125
  H      -0.338777      1.903704      2.409726
89
Coordinates from ORCA-job orca E -6723.995912526836
  N      -2.637622      0.008429      5.285611
  Mo     -3.303384      1.875808      4.701979
  N      -4.779965      1.905465      6.183607
  C      -4.316649      2.643609      7.360627
  C      -2.887744      2.238847      7.692963
  N      -1.986960      2.195712      6.473168
  C      -1.014679      1.052793      6.610432
  C      -1.755879     -0.267381      6.394601
  C      -1.225246      3.483539      6.275034
  C      -2.168372      4.576719      5.792605
  N      -3.119777      3.905096      4.928656
  H      -1.033000     -1.070261      6.159972
  H      -2.330826     -0.583190      7.288571
  H      -0.254264      1.186976      5.827317
  H      -0.521001      1.098477      7.593632
  H      -2.694845      5.079189      6.619519
  H      -1.616822      5.359236      5.242332
  H      -0.713280      3.752121      7.211593
  H      -0.465538      3.281701      5.508217
  H      -4.951645      2.430099      8.236613
  H      -4.392220      3.726560      7.164564
  H      -2.903972      1.224793      8.115685
  H      -2.433572      2.911695      8.436307
  C      -5.214520      4.743709     -0.727867
  C      -4.845714      3.879108      0.432258
  O      -3.849179      4.112163      1.079228
  C      -5.677808      2.687190      0.766693
  C      -6.953626      2.457046      0.223148
  C      -7.673106      1.311697      0.575032
  C      -7.116681      0.390778      1.461293
  F      -7.844611     -0.696067      1.780728
  C      -5.849063      0.592524      2.042509
  C      -5.246522     -0.393539      2.972309
  O      -5.541684     -1.572201      3.024992
  N      -4.212643      0.123376      3.797155
  C      -3.513761     -0.699369      4.598163
  C      -5.155913      1.750000      1.665662
  C      -7.180375      9.842418     -1.465016
  C      -7.027048      8.564134     -0.666482
  O      -7.583060      7.521985     -1.010204
  C      -6.164015      8.582502      0.552547
  C      -5.330904      9.665678      0.876314
  C      -4.510470      9.602288      1.994488
  C      -4.512915      8.451616      2.787774
  F      -3.708218      8.446674      3.864716
  C      -5.339182      7.350543      2.508050
  C      -5.392985      6.058278      3.260541
  O      -6.368611      5.313993      3.159208
  N      -4.261978      5.754484      4.030883
  C      -4.064003      4.475671      4.192889
  C      -6.166303      7.457962      1.387706
  C     -13.316349     -0.824652      2.327956
  C     -12.176245     -1.048875      3.296280
  O     -12.103836     -2.051713      3.948001
  C     -11.140524      0.032475      3.428988
  C     -11.214438      1.260373      2.727691
  C     -10.222717      2.223217      2.891024
  C      -9.146674      1.952699      3.750543
  F      -8.212089      2.928508      3.893202
  C      -9.042867      0.752801      4.463815
  C      -7.929516      0.413087      5.446908
  O      -8.067213     -0.383248      6.330582
  N      -6.704933      1.007013      5.204580
  C      -6.053902      1.449110      6.238829
  C     -10.071456     -0.175392      4.285114
  H      -6.222461      5.154066     -0.630036
  H      -4.504665      5.575412     -0.814551
  H      -5.198539      4.143820     -1.647702
  H      -7.398409      3.171721     -0.470011
  H      -8.671780      1.120827      0.181485
  H      -3.671129     -1.778756      4.669462
  H      -4.149549      1.924922      2.030933
  H      -7.536203     10.669213     -0.830289
  H      -6.212565     10.151838     -1.883229
  H      -7.883887      9.676827     -2.282457
  H      -5.310269     10.564510      0.252103
  H      -3.859985     10.432564      2.267240
  H      -4.718017      3.729453      3.665369
  H      -6.823925      6.623455      1.158049
  H     -13.954763     -1.697578      2.318514
  H     -12.956462     -0.634610      1.306703
  H     -13.901848      0.064362      2.634484
  H     -12.052229      1.468888      2.060863
  H     -10.264174      3.179413      2.379517
  H      -6.549062      1.507590      7.226188
  H     -10.019311     -1.116261      4.837683
  N      -2.026201      1.960310      3.334001
  N      -1.397313      1.980367      2.306329
  H      -0.350021      1.974049      2.376041
89
Coordinates from ORCA-job orca E -6723.998221330583
  N      -2.658696      0.012444      5.303565
  Mo     -3.308243      1.875090      4.695521
  N      -4.782449      1.937956      6.176962
  C      -4.312477      2.688225      7.344798
  C      -2.887917      2.274358      7.683417
  N      -1.992254      2.204250      6.465503
  C      -1.032924      1.055933      6.617345
  C      -1.784973     -0.253912      6.415157
  C      -1.222634      3.477352      6.252644
  C      -2.155059      4.571361      5.757024
  N      -3.112477      3.901161      4.901154
  H      -1.076323     -1.064295      6.194090
  H      -2.359673     -0.546267      7.305782
  H      -0.274866      1.169307      5.835362
  H      -0.541676      1.108225      7.600914
  H      -2.674229      5.086837      6.578183
  H      -1.599740      5.339556      5.199111
  H      -0.708365      3.752127      7.186174
  H      -0.468074      3.258899      5.489213
  H      -4.945763      2.492690      8.223195
  H      -4.380455      3.767549      7.134484
  H      -2.912696      1.270333      8.120092
  H      -2.427478      2.951934      8.416309
  C      -5.270639      4.701754     -0.699373
  C      -4.853704      3.834034      0.460855
  O      -3.840382      4.089153      1.145970
  C      -5.675801      2.635233      0.780607
  C      -6.931111      2.398490      0.224952
  C      -7.650956      1.258248      0.571520
  C      -7.106277      0.345904      1.466936
  F      -7.839680     -0.737616      1.784081
  C      -5.850920      0.552253      2.055770
  C      -5.258554     -0.424520      2.993351
  O      -5.553113     -1.589490      3.058245
  N      -4.229903      0.104179      3.813813
  C      -3.538827     -0.704986      4.629176
  C      -5.159352      1.705710      1.684026
  C      -7.259023      9.880919     -1.402236
  C      -7.070831      8.599771     -0.636907
  O      -7.623527      7.572043     -0.990558
  C      -6.177564      8.607853      0.565703
  C      -5.336739      9.686844      0.889928
  C      -4.487883      9.615683      1.990592
  C      -4.474203      8.461502      2.767922
  F      -3.645969      8.451086      3.831946
  C      -5.311209      7.364202      2.489389
  C      -5.365211      6.067828      3.232777
  O      -6.349532      5.333151      3.145717
  N      -4.231960      5.754593      3.991793
  C      -4.053631      4.474040      4.163241
  C      -6.162055      7.478917      1.384095
  C     -13.283043     -0.764181      2.262797
  C     -12.166674     -1.011638      3.259410
  O     -12.122875     -2.047740      3.929514
  C     -11.104188      0.035999      3.418990
  C     -11.143590      1.259509      2.719711
  C     -10.141090      2.209559      2.893580
  C      -9.096269      1.943886      3.745843
  F      -8.151076      2.887859      3.891129
  C      -9.014321      0.727109      4.477471
  C      -7.941077      0.414338      5.440799
  O      -8.133984     -0.390164      6.336301
  N      -6.702484      1.028092      5.204202
  C      -6.056500      1.492625      6.230897
  C     -10.046348     -0.206981      4.302327
  H      -6.302338      5.105293     -0.578264
  H      -4.566069      5.530885     -0.778514
  H      -5.263736      4.113212     -1.639577
  H      -7.369480      3.109166     -0.475396
  H      -8.651611      1.061384      0.169261
  H      -3.705083     -1.785783      4.717287
  H      -4.157283      1.887271      2.056411
  H      -7.609785     10.683447     -0.743434
  H      -6.304077     10.210270     -1.828231
  H      -7.982148      9.721937     -2.210505
  H      -5.330631     10.589302      0.278363
  H      -3.829089     10.443997      2.263151
  H      -4.714969      3.730596      3.645473
  H      -6.832403      6.646887      1.156897
  H     -13.950015     -1.646637      2.234010
  H     -12.888268     -0.576207      1.248819
  H     -13.851065      0.122766      2.553184
  H     -11.973140      1.493158      2.029308
  H     -10.158127      3.164828      2.380100
  H      -6.555810      1.570160      7.210912
  H     -10.020089     -1.141333      4.853118
  N      -2.026065      1.924820      3.325965
  N      -1.400457      1.924113      2.301755
  H      -0.374435      1.862784      2.376125
89
Coordinates from ORCA-job orca E -6723.995669412395
  N      -2.635284      0.007968      5.292086
  Mo     -3.291832      1.873717      4.703944
  N      -4.775614      1.915424      6.179069
  C      -4.316191      2.655382      7.357524
  C      -2.890840      2.247183      7.696018
  N      -1.986365      2.195042      6.478645
  C      -1.020800      1.049076      6.619497
  C      -1.763630     -0.266555      6.401218
  C      -1.221735      3.478309      6.280870
  C      -2.160518      4.572747      5.795741
  N      -3.111266      3.902787      4.929106
  H      -1.047815     -1.070951      6.169414
  H      -2.340600     -0.574343      7.288434
  H      -0.258976      1.175471      5.838381
  H      -0.532686      1.096885      7.602802
  H      -2.689085      5.077654      6.622101
  H      -1.606541      5.351393      5.247042
  H      -0.712837      3.747827      7.218261
  H      -0.460582      3.271498      5.515969
  H      -4.954959      2.446789      8.231736
  H      -4.387466      3.736654      7.159478
  H      -2.911696      1.237538      8.122583
  H      -2.438334      2.922264      8.437950
  C      -5.292289      4.733012     -0.721991
  C      -4.884243      3.885662      0.451609
  O      -3.866778      4.152881      1.115207
  C      -5.719274      2.673254      0.796226
  C      -6.997762      2.417625      0.248857
  C      -7.692860      1.270026      0.588361
  C      -7.113234      0.363858      1.470071
  F      -7.792492     -0.732874      1.766392
  C      -5.847245      0.586253      2.060169
  C      -5.213783     -0.398342      2.984627
  O      -5.508856     -1.604989      3.022087
  N      -4.196974      0.120256      3.802951
  C      -3.504658     -0.702531      4.604740
  C      -5.179143      1.749052      1.694978
  C      -7.200098      9.821072     -1.462048
  C      -7.047910      8.550081     -0.658194
  O      -7.630397      7.508703     -0.981789
  C      -6.164815      8.576133      0.553188
  C      -5.326612      9.659172      0.875455
  C      -4.501101      9.601036      1.994548
  C      -4.500091      8.457302      2.788648
  F      -3.693410      8.458245      3.868475
  C      -5.325519      7.355390      2.506007
  C      -5.379923      6.067452      3.256119
  O      -6.355870      5.324666      3.144543
  N      -4.248256      5.758459      4.027574
  C      -4.053585      4.477920      4.191288
  C      -6.160598      7.458062      1.387058
  C     -13.313720     -0.765502      2.307486
  C     -12.151476     -1.005653      3.238893
  O     -12.049853     -2.066991      3.882850
  C     -11.115494      0.063408      3.386355
  C     -11.184402      1.283861      2.732419
  C     -10.199897      2.258211      2.900908
  C      -9.125178      1.969791      3.736424
  F      -8.187616      2.915833      3.898165
  C      -9.014517      0.761500      4.424975
  C      -7.907965      0.425826      5.390515
  O      -8.064184     -0.430644      6.318390
  N      -6.686709      1.030233      5.180821
  C      -6.051697      1.469244      6.221647
  C     -10.035632     -0.179202      4.241708
  H      -6.301523      5.121055     -0.612229
  H      -4.603607      5.571898     -0.830565
  H      -5.281430      4.134855     -1.630509
  H      -7.446796      3.123590     -0.449479
  H      -8.675340      1.057384      0.181469
  H      -3.665354     -1.786632      4.680593
  H      -4.150522      1.941904      2.056887
  H      -7.534068     10.656332     -0.820321
  H      -6.229693     10.121102     -1.906388
  H      -7.925969      9.652756     -2.266637
  H      -5.311483     10.551982      0.252547
  H      -3.851627     10.430619      2.267970
  H      -4.709679      3.736925      3.663353
  H      -6.824413      6.625584      1.160522
  H     -13.947356     -1.656738      2.299072
  H     -12.950578     -0.543336      1.299181
  H     -13.925077      0.091392      2.633887
  H     -12.015255      1.492689      2.086444
  H     -10.247641      3.251766      2.393937
  H      -6.558120      1.538662      7.201336
  H      -9.980987     -1.133610      4.774432
  N      -2.004837      1.943756      3.348575
  N      -1.371035      1.956426      2.330631
  H      -0.333529      1.925615      2.409234
89
Coordinates from ORCA-job orca E -6723.999544518153
  N      -2.651891      0.013764      5.297137
  Mo     -3.303679      1.878319      4.695984
  N      -4.782724      1.927649      6.173600
  C      -4.322093      2.674832      7.347968
  C      -2.896960      2.267023      7.687575
  N      -1.994457      2.206440      6.469857
  C      -1.031495      1.060491      6.619474
  C      -1.778973     -0.253989      6.409644
  C      -1.227531      3.485444      6.263977
  C      -2.162346      4.578351      5.772131
  N      -3.116630      3.907240      4.910846
  H      -1.065276     -1.060869      6.183468
  H      -2.355850     -0.554613      7.300839
  H      -0.269728      1.180348      5.838032
  H      -0.542966      1.113667      7.605540
  H      -2.686081      5.089893      6.595739
  H      -1.607292      5.351299      5.217273
  H      -0.716609      3.758607      7.200359
  H      -0.468935      3.272202      5.499327
  H      -4.959068      2.471227      8.224544
  H      -4.393815      3.755219      7.143421
  H      -2.918199      1.259864      8.120050
  H      -2.441837      2.945170      8.425512
  C      -5.324072      4.730290     -0.726014
  C      -4.890680      3.865190      0.435850
  O      -3.895959      4.118674      1.092160
  C      -5.691435      2.650296      0.770076
  C      -6.958779      2.390027      0.220577
  C      -7.660163      1.233591      0.573435
  C      -7.094933      0.328419      1.466784
  F      -7.811143     -0.770444      1.790150
  C      -5.831581      0.556533      2.052313
  C      -5.223789     -0.418262      2.989910
  O      -5.511228     -1.613694      3.047245
  N      -4.209252      0.111876      3.808239
  C      -3.522179     -0.703206      4.616789
  C      -5.155889      1.725760      1.674419
  C      -7.173019      9.884386     -1.435692
  C      -7.025829      8.604966     -0.646862
  O      -7.598855      7.567312     -0.989007
  C      -6.147495      8.613861      0.563528
  C      -5.299445      9.688416      0.890807
  C      -4.469637      9.614316      2.003132
  C      -4.476580      8.462600      2.785995
  F      -3.662953      8.446921      3.857885
  C      -5.316763      7.370138      2.501339
  C      -5.377179      6.076999      3.244047
  O      -6.365744      5.341637      3.153881
  N      -4.244430      5.764086      4.009686
  C      -4.058506      4.483719      4.174835
  C      -6.153000      7.488314      1.387578
  C     -13.301452     -0.804063      2.305669
  C     -12.164990     -1.038492      3.269045
  O     -12.097668     -2.068338      3.919481
  C     -11.119206      0.031417      3.416742
  C     -11.189451      1.273114      2.720928
  C     -10.189120      2.212792      2.903508
  C      -9.116727      1.925501      3.762477
  F      -8.176517      2.892656      3.916943
  C      -9.024886      0.731204      4.458303
  C      -7.930846      0.405391      5.423794
  O      -8.098815     -0.429105      6.330317
  N      -6.696753      1.019038      5.191525
  C      -6.056820      1.473058      6.223483
  C     -10.050397     -0.197205      4.278146
  H      -6.348577      5.105684     -0.594567
  H      -4.633340      5.580890     -0.827366
  H      -5.322096      4.146147     -1.661418
  H      -7.411631      3.094570     -0.478168
  H      -8.652094      1.019244      0.175588
  H      -3.684572     -1.787308      4.699548
  H      -4.155690      1.924075      2.045796
  H      -7.515940     10.711419     -0.793269
  H      -6.201069     10.187062     -1.862405
  H      -7.887806      9.727187     -2.246468
  H      -5.276367     10.586989      0.275122
  H      -3.808930     10.436573      2.278650
  H      -4.720436      3.742876      3.649639
  H      -6.821554      6.661546      1.154834
  H     -13.946921     -1.686849      2.289514
  H     -12.930017     -0.602840      1.288123
  H     -13.888352      0.078010      2.618122
  H     -12.028405      1.499131      2.049787
  H     -10.221765      3.165295      2.405790
  H      -6.559173      1.541835      7.204854
  H     -10.003676     -1.145265      4.825388
  N      -2.023566      1.940218      3.330871
  N      -1.395699      1.947007      2.305757
  H      -0.351406      1.931722      2.379063
89
Coordinates from ORCA-job orca E -6723.994352698930
  N      -2.638092      0.008649      5.305049
  Mo     -3.309080      1.867018      4.698103
  N      -4.778128      1.916146      6.182925
  C      -4.307241      2.670318      7.346641
  C      -2.875855      2.270442      7.678825
  N      -1.983985      2.208572      6.457878
  C      -1.009851      1.069180      6.606358
  C      -1.749508     -0.251607      6.410960
  C      -1.225638      3.490035      6.238475
  C      -2.171817      4.576361      5.747406
  N      -3.130328      3.897569      4.899157
  H      -1.028973     -1.055904      6.184847
  H      -2.316615     -0.554070      7.308341
  H      -0.255551      1.192265      5.820628
  H      -0.511894      1.126185      7.585648
  H      -2.690369      5.088806      6.569830
  H      -1.625460      5.350224      5.185141
  H      -0.707625      3.769827      7.167613
  H      -0.473044      3.278254      5.472033
  H      -4.934788      2.468560      8.227579
  H      -4.386291      3.749533      7.136010
  H      -2.888710      1.265033      8.117506
  H      -2.418742      2.953324      8.408228
  C      -5.217369      4.694135     -0.680017
  C      -4.866278      3.830859      0.477138
  O      -3.861604      4.074624      1.148177
  C      -5.718186      2.644825      0.801534
  C      -6.985352      2.422723      0.248909
  C      -7.698020      1.284983      0.587975
  C      -7.141049      0.362915      1.473844
  F      -7.845491     -0.720363      1.774268
  C      -5.886752      0.557477      2.063470
  C      -5.276452     -0.427573      2.992048
  O      -5.568339     -1.592412      3.048772
  N      -4.228222      0.098499      3.817471
  C      -3.518496     -0.710458      4.631797
  C      -5.199104      1.708202      1.698922
  C      -7.211424      9.898867     -1.438363
  C      -7.037367      8.615563     -0.659647
  O      -7.587755      7.585670     -1.014568
  C      -6.162161      8.621284      0.555402
  C      -5.325694      9.698809      0.882803
  C      -4.491650      9.625010      1.994134
  C      -4.488144      8.469264      2.779422
  F      -3.673616      8.456445      3.852640
  C      -5.321577      7.373367      2.498466
  C      -5.385412      6.076324      3.248994
  O      -6.372693      5.347161      3.154569
  N      -4.253535      5.753108      4.007774
  C      -4.077863      4.470870      4.169489
  C      -6.158044      7.491166      1.382738
  C     -13.289764     -0.784668      2.257094
  C     -12.175045     -1.019318      3.254276
  O     -12.125907     -2.033430      3.923690
  C     -11.121292      0.028951      3.411018
  C     -11.157831      1.229428      2.721646
  C     -10.166063      2.195865      2.886692
  C      -9.117466      1.932739      3.749418
  F      -8.184384      2.899044      3.887821
  C      -9.019251      0.693084      4.502031
  C      -7.942871      0.379864      5.470119
  O      -8.129102     -0.401771      6.347712
  N      -6.703278      0.997130      5.221130
  C      -6.050705      1.464149      6.244903
  C     -10.054609     -0.223075      4.311005
  H      -6.232357      5.136716     -0.584537
  H      -4.487459      5.509408     -0.751218
  H      -5.204248      4.078725     -1.607788
  H      -7.425887      3.138134     -0.446678
  H      -8.693719      1.098908      0.184793
  H      -3.674802     -1.790150      4.718341
  H      -4.178928      1.878092      2.062525
  H      -7.570709     10.707683     -0.791000
  H      -6.253941     10.222249     -1.849452
  H      -7.919488      9.740324     -2.258778
  H      -5.310765     10.602683      0.265512
  H      -3.837170     10.452284      2.269332
  H      -4.740404      3.730912      3.653063
  H      -6.824353      6.660400      1.153084
  H     -13.944336     -1.662191      2.234107
  H     -12.894382     -0.598804      1.242245
  H     -13.869828      0.104960      2.543671
  H     -11.974753      1.435331      2.047157
  H     -10.191574      3.158168      2.364556
  H      -6.544203      1.536412      7.229586
  H     -10.023410     -1.154310      4.864158
  N      -2.034152      1.935389      3.320445
  N      -1.415339      1.946067      2.289432
  H      -0.388674      1.881034      2.354071
89
Coordinates from ORCA-job orca E -6724.000459747183
  N      -2.654778      0.004486      5.310523
  Mo     -3.303854      1.865355      4.699253
  N      -4.784161      1.929107      6.174668
  C      -4.319219      2.678228      7.344248
  C      -2.895722      2.267924      7.686210
  N      -1.995329      2.198182      6.470221
  C      -1.034746      1.051531      6.625211
  C      -1.781584     -0.261758      6.422195
  C      -1.226544      3.473270      6.256765
  C      -2.159253      4.565896      5.759199
  N      -3.115920      3.894117      4.902305
  H      -1.070100     -1.069895      6.199688
  H      -2.356502     -0.557533      7.313077
  H      -0.274728      1.166560      5.843854
  H      -0.545767      1.107347      7.608872
  H      -2.680762      5.082561      6.579697
  H      -1.603648      5.334264      5.201163
  H      -0.714234      3.750219      7.190480
  H      -0.469772      3.253892      5.494451
  H      -4.955532      2.481033      8.220976
  H      -4.387695      3.756956      7.134601
  H      -2.919068      1.264412      8.124646
  H      -2.438917      2.948425      8.419023
  C      -5.290315      4.712615     -0.705249
  C      -4.858698      3.852525      0.461690
  O      -3.850930      4.107764      1.132214
  C      -5.678154      2.645859      0.786198
  C      -6.933374      2.397041      0.225043
  C      -7.648345      1.249633      0.567326
  C      -7.100177      0.340871      1.463216
  F      -7.821381     -0.749966      1.773036
  C      -5.844372      0.557730      2.058779
  C      -5.241874     -0.421286      2.993667
  O      -5.535392     -1.598849      3.053360
  N      -4.217807      0.104259      3.816387
  C      -3.527885     -0.710359      4.629629
  C      -5.158569      1.718788      1.690819
  C      -7.233234      9.888695     -1.413923
  C      -7.056201      8.608979     -0.643909
  O      -7.629292      7.581187     -0.990471
  C      -6.159462      8.615244      0.560057
  C      -5.317710      9.691788      0.889890
  C      -4.474031      9.619212      1.998064
  C      -4.464695      8.466636      2.776661
  F      -3.644113      8.454643      3.849755
  C      -5.299060      7.371178      2.489822
  C      -5.359972      6.077183      3.233047
  O      -6.343913      5.345760      3.131686
  N      -4.230762      5.756477      3.998475
  C      -4.055891      4.473747      4.164810
  C      -6.146122      7.487352      1.378412
  C     -13.304039     -0.810425      2.310376
  C     -12.155138     -1.041131      3.266355
  O     -12.068578     -2.077043      3.923026
  C     -11.116719      0.034872      3.403388
  C     -11.182071      1.259297      2.718120
  C     -10.191314      2.234412      2.879686
  C      -9.123309      1.966152      3.723677
  F      -8.178466      2.908850      3.875588
  C      -9.020008      0.758383      4.438701
  C      -7.920202      0.440300      5.409131
  O      -8.076117     -0.373317      6.321553
  N      -6.700464      1.041285      5.186188
  C      -6.059157      1.492936      6.222285
  C     -10.044993     -0.188714      4.266156
  H      -6.320661      5.098332     -0.582734
  H      -4.600649      5.550219     -0.796237
  H      -5.282933      4.127941     -1.639906
  H      -7.369811      3.104803     -0.477568
  H      -8.639020      1.044100      0.159075
  H      -3.691552     -1.791546      4.713937
  H      -4.151784      1.908034      2.063453
  H      -7.570672     10.697561     -0.753242
  H      -6.274866     10.209726     -1.849546
  H      -7.964628      9.730526     -2.219297
  H      -5.310227     10.592853      0.279398
  H      -3.818396     10.445218      2.276499
  H      -4.720718      3.738330      3.644351
  H      -6.818050      6.658537      1.148222
  H     -13.942215     -1.695294      2.301457
  H     -12.936919     -0.605760      1.297467
  H     -13.902415      0.058340      2.620598
  H     -12.020187      1.476121      2.048606
  H     -10.229568      3.206028      2.365930
  H      -6.560894      1.572271      7.200738
  H      -9.998891     -1.128666      4.811361
  N      -2.018351      1.918579      3.337658
  N      -1.389997      1.921696      2.314970
  H      -0.364138      1.859389      2.389287
89
Coordinates from ORCA-job orca E -6723.995514190933
  N      -2.630786      0.020485      5.280188
  Mo     -3.308321      1.881763      4.688290
  N      -4.783354      1.909669      6.172031
  C      -4.325680      2.660238      7.347228
  C      -2.890540      2.268968      7.677822
  N      -1.990042      2.222658      6.454418
  C      -1.008826      1.085970      6.593405
  C      -1.745293     -0.239868      6.384456
  C      -1.237414      3.514037      6.247306
  C      -2.190760      4.598472      5.766135
  N      -3.144716      3.916825      4.909214
  H      -1.020901     -1.040662      6.150187
  H      -2.315643     -0.550732      7.279064
  H      -0.249315      1.217833      5.807780
  H      -0.514617      1.141816      7.575457
  H      -2.717585      5.102719      6.594891
  H      -1.646392      5.381987      5.209907
  H      -0.723404      3.791391      7.180793
  H      -0.478440      3.312548      5.476583
  H      -4.957430      2.445103      8.226514
  H      -4.411907      3.742473      7.147829
  H      -2.897712      1.258458      8.108102
  H      -2.441002      2.952491      8.415851
  C      -5.342229      4.731272     -0.700331
  C      -4.944820      3.867046      0.452727
  O      -3.930580      4.134496      1.099844
  C      -5.759005      2.646855      0.804352
  C      -7.046644      2.382171      0.270833
  C      -7.721267      1.221694      0.616666
  C      -7.119026      0.315609      1.491383
  F      -7.790438     -0.792408      1.799866
  C      -5.849441      0.549292      2.068981
  C      -5.208927     -0.426054      2.994181
  O      -5.489907     -1.636512      3.033699
  N      -4.198276      0.105369      3.802155
  C      -3.496534     -0.702718      4.602146
  C      -5.196676      1.723357      1.697726
  C      -7.068136      9.880723     -1.477564
  C      -6.975940      8.604688     -0.657333
  O      -7.569816      7.567034     -0.980211
  C      -6.124891      8.614123      0.562412
  C      -5.267802      9.680517      0.883315
  C      -4.466750      9.605505      2.004806
  C      -4.505603      8.460523      2.799788
  F      -3.713962      8.442538      3.876448
  C      -5.350338      7.376060      2.519242
  C      -5.424693      6.088734      3.270210
  O      -6.417111      5.359774      3.180478
  N      -4.288857      5.770285      4.029756
  C      -4.097177      4.490062      4.184450
  C      -6.164253      7.496146      1.399295
  C     -13.289579     -0.769574      2.276307
  C     -12.163541     -1.024528      3.248494
  O     -12.110851     -2.069087      3.896540
  C     -11.105975      0.019023      3.420469
  C     -11.164452      1.263671      2.735274
  C     -10.163547      2.188532      2.932321
  C      -9.106452      1.894684      3.786383
  F      -8.176518      2.869067      3.944728
  C      -9.021467      0.689880      4.473604
  C      -7.943681      0.359903      5.427548
  O      -8.139474     -0.489280      6.329252
  N      -6.694663      0.986625      5.193197
  C      -6.057952      1.440846      6.223431
  C     -10.042530     -0.234464      4.288747
  H      -6.338969      5.121615     -0.577188
  H      -4.645051      5.581469     -0.810966
  H      -5.340086      4.133747     -1.611209
  H      -7.518579      3.085780     -0.419786
  H      -8.709432      1.003213      0.222980
  H      -3.647272     -1.788100      4.684843
  H      -4.178505      1.923937      2.057699
  H      -7.404695     10.739560     -0.859318
  H      -6.075087     10.146371     -1.897487
  H      -7.765711      9.727884     -2.293808
  H      -5.217399     10.572975      0.255852
  H      -3.800595     10.421344      2.276524
  H      -4.759580      3.747691      3.659733
  H      -6.834902      6.675812      1.167767
  H     -13.949208     -1.656143      2.245470
  H     -12.898859     -0.563151      1.262808
  H     -13.871405      0.114675      2.586829
  H     -11.996349      1.502009      2.060991
  H     -10.189550      3.141250      2.444920
  H      -6.564457      1.503638      7.207158
  H     -10.002324     -1.184739      4.827318
  N      -2.035306      1.966361      3.314875
  N      -1.411789      1.986887      2.287956
  H      -0.352712      1.992272      2.355499
89
Coordinates from ORCA-job orca E -6724.000891400843
  N      -2.643889      0.011432      5.305682
  Mo     -3.303263      1.870503      4.698512
  N      -4.779706      1.919846      6.177942
  C      -4.317668      2.672315      7.347926
  C      -2.889679      2.271684      7.684748
  N      -1.990554      2.209075      6.465304
  C      -1.022719      1.067724      6.617290
  C      -1.765263     -0.250115      6.414880
  C      -1.228687      3.489173      6.250943
  C      -2.168793      4.577042      5.758908
  N      -3.125688      3.901447      4.904175
  H      -1.049863     -1.054600      6.188583
  H      -2.337327     -0.549479      7.308911
  H      -0.263631      1.187397      5.833921
  H      -0.531823      1.126815      7.601104
  H      -2.690035      5.089966      6.582323
  H      -1.618290      5.349472      5.199194
  H      -0.715184      3.767385      7.183984
  H      -0.472560      3.275387      5.485062
  H      -4.950369      2.468374      8.226986
  H      -4.394805      3.751537      7.140213
  H      -2.905201      1.266801      8.122586
  H      -2.435091      2.954911      8.417397
  C      -5.321839      4.711760     -0.712720
  C      -4.899255      3.851672      0.449873
  O      -3.902392      4.109652      1.112352
  C      -5.706442      2.638760      0.782557
  C      -6.971159      2.377843      0.228564
  C      -7.668219      1.223698      0.575759
  C      -7.100193      0.320401      1.469236
  F      -7.805321     -0.778182      1.783981
  C      -5.842322      0.549458      2.060127
  C      -5.229268     -0.424434      2.996762
  O      -5.512952     -1.613309      3.056199
  N      -4.208573      0.106368      3.816006
  C      -3.515685     -0.707589      4.626709
  C      -5.172615      1.717078      1.688370
  C      -7.182931      9.895308     -1.433059
  C      -7.026464      8.615613     -0.648770
  O      -7.589115      7.583335     -0.997752
  C      -6.145701      8.622883      0.562380
  C      -5.294531      9.697705      0.887209
  C      -4.459088      9.623996      1.998905
  C      -4.466761      8.472352      2.785705
  F      -3.648972      8.458736      3.858566
  C      -5.311976      7.379220      2.504457
  C      -5.380147      6.086503      3.252339
  O      -6.373338      5.358423      3.165088
  N      -4.247928      5.764088      4.013889
  C      -4.070240      4.481518      4.173638
  C      -6.150838      7.496891      1.389669
  C     -13.302329     -0.785420      2.279235
  C     -12.170917     -1.024480      3.252328
  O     -12.107420     -2.058440      3.905569
  C     -11.122033      0.038937      3.406501
  C     -11.180480      1.259956      2.725284
  C     -10.185865      2.211885      2.899774
  C      -9.118215      1.926635      3.756569
  F      -8.180338      2.888989      3.905448
  C      -9.021789      0.718948      4.465245
  C      -7.929457      0.388700      5.438459
  O      -8.097340     -0.439673      6.341513
  N      -6.694773      1.006054      5.200507
  C      -6.053774      1.465084      6.230806
  C     -10.051074     -0.200277      4.277216
  H      -6.348150      5.101939     -0.583903
  H      -4.623780      5.555077     -0.809972
  H      -5.320379      4.117056     -1.647401
  H      -7.422897      3.080670     -0.472247
  H      -8.659845      1.008235      0.173674
  H      -3.674522     -1.791310      4.709992
  H      -4.172293      1.916441      2.060514
  H      -7.533592     10.712083     -0.788968
  H      -6.216847     10.208529     -1.850876
  H      -7.893059      9.737841     -2.249535
  H      -5.270696     10.596590      0.268513
  H      -3.793993     10.447216      2.271647
  H      -4.737877      3.746177      3.651173
  H      -6.824134      6.670044      1.160020
  H     -13.951293     -1.671831      2.255002
  H     -12.927025     -0.582066      1.262305
  H     -13.883148      0.094007      2.589690
  H     -12.005667      1.467480      2.067583
  H     -10.222268      3.181596      2.389001
  H      -6.555899      1.536825      7.212637
  H     -10.004600     -1.150152      4.827672
  N      -2.025089      1.934394      3.330111
  N      -1.401902      1.943332      2.302490
  H      -0.358574      1.921574      2.372331
89
Coordinates from ORCA-job orca E -6723.995516357640
  N      -2.669339      0.001501      5.312360
  Mo     -3.311465      1.861521      4.690745
  N      -4.791306      1.939334      6.163288
  C      -4.322879      2.692054      7.327518
  C      -2.902391      2.276513      7.674207
  N      -2.002729      2.195131      6.460818
  C      -1.047474      1.045690      6.621316
  C      -1.797238     -0.263419      6.424928
  C      -1.228852      3.463644      6.241515
  C      -2.156442      4.558293      5.739418
  N      -3.117089      3.889062      4.886812
  H      -1.088300     -1.075507      6.207252
  H      -2.372108     -0.553034      7.315831
  H      -0.286969      1.154160      5.841812
  H      -0.560243      1.101532      7.603965
  H      -2.674746      5.081348      6.556791
  H      -1.597714      5.320832      5.178470
  H      -0.715000      3.741745      7.172830
  H      -0.473950      3.237479      5.481093
  H      -4.960426      2.503589      8.203636
  H      -4.385822      3.769130      7.111639
  H      -2.931197      1.276716      8.118305
  H      -2.443890      2.958778      8.403059
  C      -5.242505      4.713689     -0.682668
  C      -4.832511      3.844686      0.475317
  O      -3.807678      4.090929      1.141087
  C      -5.677149      2.650310      0.797517
  C      -6.939487      2.424079      0.241378
  C      -7.665422      1.282982      0.576502
  C      -7.122756      0.360781      1.462594
  F      -7.838020     -0.723743      1.757961
  C      -5.864889      0.557185      2.055319
  C      -5.265153     -0.431179      2.982968
  O      -5.566945     -1.602867      3.030995
  N      -4.232179      0.093334      3.811578
  C      -3.542930     -0.718146      4.633666
  C      -5.163957      1.711765      1.692453
  C      -7.214978      9.911646     -1.423529
  C      -7.060532      8.630886     -0.638517
  O      -7.659503      7.605314     -0.971239
  C      -6.163138      8.633842      0.566636
  C      -5.330989      9.705879      0.902378
  C      -4.491862      9.628619      2.012500
  C      -4.472979      8.474845      2.784258
  F      -3.655805      8.457360      3.857960
  C      -5.295625      7.383845      2.490783
  C      -5.348122      6.087765      3.224906
  O      -6.333046      5.362312      3.122492
  N      -4.219109      5.760471      3.987860
  C      -4.055921      4.475837      4.151833
  C      -6.142724      7.505187      1.380212
  C     -13.293486     -0.860078      2.342436
  C     -12.142411     -1.076727      3.295881
  O     -12.051542     -2.096734      3.970464
  C     -11.108293      0.000635      3.414880
  C     -11.168268      1.225336      2.701324
  C     -10.173596      2.206252      2.857735
  C      -9.117832      1.959911      3.708575
  F      -8.174279      2.903740      3.857502
  C      -9.021390      0.757721      4.442152
  C      -7.927916      0.461678      5.404427
  O      -8.093244     -0.315435      6.316274
  N      -6.710394      1.049975      5.183228
  C      -6.065882      1.507603      6.215144
  C     -10.043779     -0.212224      4.289038
  H      -6.261492      5.111890     -0.572064
  H      -4.554681      5.541219     -0.762499
  H      -5.228123      4.136134     -1.607345
  H      -7.368931      3.141271     -0.455008
  H      -8.653407      1.095375      0.166975
  H      -3.712882     -1.800668      4.727418
  H      -4.134004      1.883067      2.056724
  H      -7.536550     10.740786     -0.765894
  H      -6.248668     10.209655     -1.871320
  H      -7.955281      9.755269     -2.226322
  H      -5.331440     10.608657      0.298554
  H      -3.848434     10.452081      2.297681
  H      -4.725973      3.749105      3.636087
  H      -6.804938      6.678003      1.144251
  H     -13.925239     -1.731812      2.356289
  H     -12.917846     -0.673331      1.334321
  H     -13.911964      0.014400      2.632445
  H     -12.015846      1.459595      1.997956
  H     -10.200004      3.154973      2.341197
  H      -6.562613      1.594639      7.192500
  H     -10.010019     -1.130514      4.836590
  N      -2.024511      1.902951      3.330746
  N      -1.396018      1.900123      2.309601
  H      -0.383030      1.814258      2.387772
89
Coordinates from ORCA-job orca E -6724.001728689957
  N      -2.643352      0.008618      5.306302
  Mo     -3.307684      1.867101      4.692829
  N      -4.785446      1.920787      6.171277
  C      -4.322985      2.676616      7.339144
  C      -2.893118      2.278900      7.677680
  N      -1.993753      2.213464      6.458782
  C      -1.022121      1.073276      6.612906
  C      -1.761647     -0.248718      6.415026
  C      -1.233412      3.495301      6.239805
  C      -2.176708      4.581320      5.744558
  N      -3.134599      3.901019      4.893187
  H      -1.042249     -1.053236      6.189960
  H      -2.332329     -0.549070      7.310310
  H      -0.263389      1.193224      5.828849
  H      -0.529766      1.135062      7.595621
  H      -2.698646      5.097107      6.566462
  H      -1.627640      5.353681      5.182219
  H      -0.718698      3.777956      7.171125
  H      -0.477165      3.279917      5.474261
  H      -4.955915      2.474728      8.218264
  H      -4.401507      3.755930      7.128604
  H      -2.906936      1.274852      8.118961
  H      -2.439936      2.966143      8.407964
  C      -5.328208      4.706960     -0.690063
  C      -4.904014      3.842969      0.468854
  O      -3.896394      4.100433      1.129270
  C      -5.717553      2.630520      0.800107
  C      -6.977920      2.373900      0.245372
  C      -7.675332      1.219649      0.587568
  C      -7.107832      0.312068      1.477194
  F      -7.811575     -0.786653      1.787013
  C      -5.848856      0.537272      2.067213
  C      -5.227561     -0.439298      2.998163
  O      -5.509579     -1.626095      3.050847
  N      -4.207800      0.092368      3.816876
  C      -3.509624     -0.714104      4.629299
  C      -5.180520      1.705134      1.700274
  C      -7.148217      9.923133     -1.434197
  C      -7.011190      8.641472     -0.649568
  O      -7.603224      7.617153     -0.988903
  C      -6.132344      8.638756      0.561255
  C      -5.280928      9.706295      0.891386
  C      -4.454472      9.625505      2.005396
  C      -4.468878      8.473392      2.787769
  F      -3.661362      8.452444      3.863791
  C      -5.311917      7.386939      2.500281
  C      -5.385632      6.093961      3.244937
  O      -6.377330      5.370702      3.146375
  N      -4.254681      5.764536      4.005045
  C      -4.081158      4.480807      4.163903
  C      -6.144243      7.511707      1.384150
  C     -13.300006     -0.812478      2.292470
  C     -12.161499     -1.047405      3.258073
  O     -12.086873     -2.081834      3.913280
  C     -11.117693      0.018602      3.407829
  C     -11.179929      1.244420      2.723398
  C     -10.188702      2.208158      2.895259
  C      -9.124647      1.934122      3.746093
  F      -8.186445      2.889656      3.900843
  C      -9.024209      0.723492      4.456638
  C      -7.930976      0.402436      5.423359
  O      -8.099138     -0.415951      6.328962
  N      -6.701022      1.013205      5.191831
  C      -6.059845      1.470983      6.223427
  C     -10.049054     -0.212999      4.275636
  H      -6.351109      5.094258     -0.561781
  H      -4.634604      5.550733     -0.786498
  H      -5.325748      4.117891     -1.622198
  H      -7.427406      3.079775     -0.453485
  H      -8.665005      1.007679      0.183593
  H      -3.664942     -1.794800      4.717945
  H      -4.171162      1.901001      2.068849
  H      -7.480292     10.749606     -0.786296
  H      -6.175600     10.218341     -1.862268
  H      -7.869182      9.774379     -2.244563
  H      -5.253245     10.606193      0.276717
  H      -3.791865     10.444076      2.284001
  H      -4.749324      3.747123      3.644746
  H      -6.820019      6.689758      1.151045
  H     -13.943906     -1.699886      2.274449
  H     -12.921714     -0.607160      1.279881
  H     -13.895004      0.060714      2.600116
  H     -12.015027      1.465351      2.051362
  H     -10.224117      3.173273      2.389013
  H      -6.561658      1.546831      7.203900
  H     -10.004400     -1.156675      4.820899
  N      -2.028152      1.929549      3.324249
  N      -1.404787      1.938500      2.297502
  H      -0.372034      1.885664      2.366543
89
Coordinates from ORCA-job orca E -6724.002035178039
  N      -2.679616      0.008423      5.317506
  Mo     -3.327835      1.869163      4.696063
  N      -4.795652      1.945458      6.182313
  C      -4.320382      2.706516      7.340823
  C      -2.892815      2.298050      7.674293
  N      -2.000782      2.211752      6.451144
  C      -1.041895      1.062745      6.608510
  C      -1.795776     -0.251108      6.422949
  C      -1.225605      3.480607      6.216832
  C      -2.157050      4.575076      5.721269
  N      -3.132955      3.903418      4.884299
  H      -1.087299     -1.063736      6.199101
  H      -2.364340     -0.538839      7.322640
  H      -0.285821      1.168787      5.820376
  H      -0.545115      1.126127      7.588068
  H      -2.663660      5.104480      6.543784
  H      -1.602229      5.334603      5.148152
  H      -0.700674      3.762899      7.141916
  H      -0.478374      3.249170      5.447393
  H      -4.949828      2.517552      8.225228
  H      -4.390152      3.784012      7.121732
  H      -2.914130      1.298923      8.125032
  H      -2.428973      2.987208      8.395225
  C      -5.356891      4.710382     -0.687762
  C      -4.915794      3.834193      0.453629
  O      -3.894662      4.079453      1.095632
  C      -5.735101      2.628401      0.793425
  C      -6.996412      2.372162      0.235306
  C      -7.699480      1.222246      0.581711
  C      -7.139762      0.320781      1.481563
  F      -7.846402     -0.774642      1.793226
  C      -5.884068      0.546370      2.077662
  C      -5.275245     -0.427170      3.018968
  O      -5.567875     -1.611525      3.079157
  N      -4.249187      0.099938      3.832765
  C      -3.557016     -0.710049      4.648034
  C      -5.206502      1.707677      1.703419
  C      -7.152091      9.976881     -1.399063
  C      -7.047676      8.706581     -0.591387
  O      -7.689840      7.703469     -0.895110
  C      -6.123841      8.683369      0.586290
  C      -5.222404      9.723168      0.874273
  C      -4.359369      9.624429      1.960411
  C      -4.386640      8.481169      2.756103
  F      -3.541583      8.442824      3.804209
  C      -5.276900      7.421018      2.508502
  C      -5.367565      6.137320      3.267641
  O      -6.387455      5.448171      3.215707
  N      -4.228088      5.785061      4.004584
  C      -4.079510      4.498714      4.165366
  C      -6.144767      7.564611      1.420771
  C     -13.245383     -0.907776      2.263048
  C     -12.132298     -1.105879      3.265305
  O     -12.064908     -2.123171      3.946713
  C     -11.096897     -0.029871      3.405384
  C     -11.145393      1.168281      2.673250
  C     -10.163060      2.140368      2.836042
  C      -9.119100      1.901373      3.723808
  F      -8.188485      2.867933      3.864460
  C      -9.029363      0.717196      4.476110
  C      -7.948214      0.428351      5.465551
  O      -8.122754     -0.367347      6.389762
  N      -6.715558      1.030345      5.223216
  C      -6.071761      1.502875      6.246070
  C     -10.046300     -0.227482      4.305617
  H      -6.369623      5.110747     -0.528742
  H      -4.655317      5.544127     -0.797306
  H      -5.387902      4.127240     -1.621840
  H      -7.439612      3.072965     -0.472416
  H      -8.686802      1.008912      0.172403
  H      -3.723834     -1.790712      4.743007
  H      -4.198715      1.901765      2.075514
  H      -7.426097     10.829193     -0.759569
  H      -6.182628     10.219383     -1.861656
  H      -7.903495      9.845586     -2.184524
  H      -5.184892     10.615592      0.249122
  H      -3.658254     10.422200      2.206743
  H      -4.775943      3.780437      3.663375
  H      -6.855427      6.763964      1.218706
  H     -13.882886     -1.798175      2.254542
  H     -12.842061     -0.731621      1.254408
  H     -13.852012     -0.028053      2.527979
  H     -11.959623      1.356748      1.973657
  H     -10.189100      3.084937      2.291931
  H      -6.569273      1.592014      7.227980
  H     -10.009203     -1.151404      4.884720
  N      -2.055420      1.910645      3.320209
  N      -1.436328      1.908234      2.290688
  H      -0.400673      1.846273      2.355579
89
Coordinates from ORCA-job orca E -6724.002030564632
  N      -2.681366      0.008641      5.330914
  Mo     -3.334124      1.862529      4.699530
  N      -4.793757      1.947532      6.191264
  C      -4.313516      2.714359      7.342708
  C      -2.884261      2.310933      7.669896
  N      -1.998781      2.215104      6.442706
  C      -1.039906      1.069742      6.603843
  C      -1.792731     -0.242773      6.432273
  C      -1.222327      3.477299      6.192119
  C      -2.151270      4.570260      5.696030
  N      -3.140707      3.900672      4.874680
  H      -1.087516     -1.055261      6.209396
  H      -2.354705     -0.522554      7.336705
  H      -0.288391      1.169658      5.811525
  H      -0.540063      1.141490      7.579747
  H      -2.646120      5.109576      6.518804
  H      -1.597553      5.320672      5.111579
  H      -0.690141      3.764603      7.110395
  H      -0.482531      3.236193      5.419089
  H      -4.937144      2.529489      8.231894
  H      -4.385803      3.789251      7.118084
  H      -2.901314      1.316557      8.129063
  H      -2.417854      3.006345      8.381673
  C      -5.579130      4.785219     -0.523409
  C      -5.087925      3.892586      0.580518
  O      -4.092051      4.178353      1.242374
  C      -5.836123      2.628193      0.864816
  C      -7.062201      2.305778      0.254174
  C      -7.707258      1.109309      0.553669
  C      -7.128732      0.229271      1.461151
  F      -7.778562     -0.909575      1.729522
  C      -5.908650      0.513862      2.103010
  C      -5.281928     -0.449232      3.041336
  O      -5.551672     -1.640091      3.094565
  N      -4.256786      0.089303      3.849245
  C      -3.561325     -0.716951      4.667856
  C      -5.283858      1.719772      1.773091
  C      -7.128812      9.968501     -1.419874
  C      -7.073929      8.732767     -0.555347
  O      -7.797988      7.769305     -0.780847
  C      -6.094441      8.692976      0.578586
  C      -5.118662      9.685795      0.787576
  C      -4.211384      9.573289      1.838946
  C      -4.267626      8.461239      2.677132
  F      -3.375494      8.409422      3.688511
  C      -5.229032      7.445998      2.505409
  C      -5.354815      6.193217      3.310199
  O      -6.403301      5.544764      3.308633
  N      -4.206258      5.805600      4.014385
  C      -4.090242      4.516028      4.171498
  C      -6.139942      7.605449      1.453111
  C     -13.155103     -0.915088      2.142367
  C     -12.056522     -1.128282      3.156520
  O     -11.978766     -2.169582      3.797727
  C     -11.051378     -0.032435      3.356664
  C     -11.108825      1.181918      2.652065
  C     -10.154425      2.167533      2.867837
  C      -9.125418      1.926047      3.775474
  F      -8.224525      2.915028      3.964738
  C      -9.022389      0.724430      4.491534
  C      -7.941718      0.423501      5.476069
  O      -8.115248     -0.377675      6.394561
  N      -6.711933      1.033661      5.237315
  C      -6.069451      1.506200      6.260506
  C     -10.013472     -0.234736      4.274975
  H      -6.612211      5.115528     -0.346464
  H      -4.931491      5.661715     -0.597525
  H      -5.577632      4.240151     -1.477910
  H      -7.522136      2.991568     -0.457144
  H      -8.663238      0.843907      0.102747
  H      -3.727624     -1.801006      4.769264
  H      -4.303919      1.965456      2.185701
  H      -7.310016     10.865294     -0.811921
  H      -6.170664     10.119223     -1.935467
  H      -7.924056      9.857398     -2.164598
  H      -5.057991     10.552482      0.128745
  H      -3.453143     10.336203      2.024771
  H      -4.822867      3.823844      3.689101
  H      -6.904922      6.842719      1.311168
  H     -13.774337     -1.813236      2.090681
  H     -12.738432     -0.697854      1.147109
  H     -13.780991     -0.053514      2.426138
  H     -11.903069      1.364787      1.938413
  H     -10.189326      3.123448      2.345592
  H      -6.565508      1.596500      7.243559
  H      -9.965352     -1.173016      4.829212
  N      -2.068705      1.894768      3.317341
  N      -1.450938      1.887428      2.286925
  H      -0.409935      1.827705      2.350977
89
Coordinates from ORCA-job orca E -6724.001960782061
  N      -2.659167      0.023532      5.318861
  Mo     -3.334793      1.874408      4.704245
  N      -4.798036      1.925281      6.193878
  C      -4.328445      2.685833      7.354221
  C      -2.894077      2.298778      7.679063
  N      -2.006214      2.226145      6.452133
  C      -1.033165      1.091470      6.604644
  C      -1.770000     -0.228225      6.419820
  C      -1.245191      3.500062      6.213597
  C      -2.187346      4.586191      5.728368
  N      -3.171428      3.914146      4.901916
  H      -1.054793     -1.030983      6.190410
  H      -2.330510     -0.522861      7.321013
  H      -0.281606      1.207804      5.814452
  H      -0.535888      1.160614      7.582453
  H      -2.687497      5.112373      6.556755
  H      -1.642681      5.348723      5.150610
  H      -0.715999      3.785172      7.134662
  H      -0.502852      3.275027      5.438178
  H      -4.950200      2.483407      8.240932
  H      -4.414806      3.762370      7.140994
  H      -2.897619      1.299891      8.129379
  H      -2.437637      2.994273      8.397601
  C      -5.551289      4.737379     -0.627210
  C      -5.028298      3.839943      0.458557
  O      -3.984569      4.096843      1.056493
  C      -5.790806      2.595000      0.787198
  C      -7.028983      2.275187      0.200033
  C      -7.681052      1.090577      0.527528
  C      -7.098941      0.220179      1.442348
  F      -7.757566     -0.905831      1.739430
  C      -5.869811      0.505756      2.067062
  C      -5.239765     -0.449757      3.011304
  O      -5.513826     -1.638747      3.078631
  N      -4.228405      0.097695      3.831033
  C      -3.527227     -0.707073      4.645941
  C      -5.237762      1.699450      1.707324
  C      -7.099796      9.930178     -1.434519
  C      -7.051909      8.703230     -0.556728
  O      -7.786456      7.744054     -0.766811
  C      -6.088249      8.680460      0.591615
  C      -5.113095      9.673880      0.796972
  C      -4.218425      9.575153      1.860031
  C      -4.287842      8.477100      2.714774
  F      -3.407074      8.438838      3.736528
  C      -5.251718      7.463756      2.549906
  C      -5.390080      6.224661      3.373008
  O      -6.435598      5.572214      3.360376
  N      -4.242211      5.827406      4.071918
  C      -4.127640      4.535795      4.211841
  C      -6.148523      7.608107      1.483565
  C     -13.198964     -0.861839      2.171485
  C     -12.068789     -1.114690      3.141216
  O     -11.971846     -2.180340      3.738451
  C     -11.072077     -0.017368      3.372430
  C     -11.155883      1.227880      2.725224
  C     -10.207314      2.213473      2.968442
  C      -9.159160      1.942635      3.844501
  F      -8.268115      2.933842      4.066367
  C      -9.031074      0.711575      4.503646
  C      -7.931818      0.381056      5.458422
  O      -8.090645     -0.442567      6.359343
  N      -6.710956      1.010947      5.226481
  C      -6.069132      1.469371      6.256875
  C     -10.016495     -0.249057      4.262711
  H      -6.559021      5.108703     -0.391188
  H      -4.877548      5.588676     -0.751836
  H      -5.628229      4.181984     -1.573133
  H      -7.489922      2.951392     -0.519714
  H      -8.644131      0.826129      0.091751
  H      -3.679514     -1.793065      4.735519
  H      -4.247660      1.941527      2.099400
  H      -7.280897     10.834470     -0.836515
  H      -6.138236     10.072886     -1.947800
  H      -7.892129      9.813378     -2.181405
  H      -5.041199     10.529145      0.124499
  H      -3.459800     10.337878      2.042258
  H      -4.862104      3.852831      3.723931
  H      -6.912167      6.843560      1.342011
  H     -13.818280     -1.759369      2.100276
  H     -12.812702     -0.601223      1.174511
  H     -13.817916     -0.015217      2.509649
  H     -11.967110      1.434793      2.033782
  H     -10.262323      3.192006      2.491435
  H      -6.565132      1.541233      7.241245
  H      -9.949842     -1.209995      4.774180
  N      -2.068010      1.938322      3.324577
  N      -1.447267      1.951899      2.296073
  H      -0.407411      1.900759      2.363092
89
Coordinates from ORCA-job orca E -6724.001961984237
  N      -2.668776      0.012949      5.346787
  Mo     -3.326938      1.858672      4.696357
  N      -4.798691      1.949996      6.175319
  C      -4.328971      2.732771      7.322209
  C      -2.898544      2.339924      7.665170
  N      -2.003682      2.233018      6.445194
  C      -1.040702      1.090638      6.626906
  C      -1.789127     -0.228266      6.459736
  C      -1.230733      3.498061      6.186034
  C      -2.164621      4.582115      5.675965
  N      -3.151839      3.900710      4.858340
  H      -1.077585     -1.043799      6.249864
  H      -2.360512     -0.503303      7.362926
  H      -0.281384      1.185922      5.840113
  H      -0.548676      1.173267      7.608355
  H      -2.664872      5.127896      6.492455
  H      -1.612247      5.331433      5.086054
  H      -0.702250      3.797414      7.104584
  H      -0.486250      3.253015      5.418154
  H      -4.958100      2.555051      8.209308
  H      -4.404742      3.806859      7.084960
  H      -2.912948      1.350138      8.137842
  H      -2.439550      3.047969      8.371668
  C      -5.613536      4.710196     -0.582098
  C      -5.072891      3.801901      0.490491
  O      -4.000171      4.033967      1.049576
  C      -5.845668      2.570442      0.846198
  C      -7.104010      2.270331      0.301643
  C      -7.758642      1.092897      0.645654
  C      -7.154415      0.206391      1.532483
  F      -7.818182     -0.913684      1.844870
  C      -5.901540      0.476591      2.118155
  C      -5.248678     -0.480598      3.046348
  O      -5.533208     -1.664752      3.137071
  N      -4.230302      0.072884      3.853061
  C      -3.535212     -0.721695      4.680902
  C      -5.274278      1.666677      1.745708
  C      -7.106616     10.098334     -1.343217
  C      -7.041378      8.829595     -0.527911
  O      -7.777553      7.875800     -0.770155
  C      -6.065974      8.762734      0.607239
  C      -5.089124      9.746160      0.836557
  C      -4.182221      9.605702      1.880865
  C      -4.243103      8.477229      2.693796
  F      -3.351130      8.398436      3.700107
  C      -5.210559      7.474850      2.507731
  C      -5.340843      6.209454      3.290041
  O      -6.399603      5.579973      3.300559
  N      -4.201113      5.811436      4.000883
  C      -4.100911      4.520453      4.157594
  C      -6.118616      7.659102      1.459921
  C     -13.202506     -0.955135      2.194979
  C     -12.095118     -1.144603      3.206159
  O     -12.049181     -2.141699      3.918542
  C     -11.056454     -0.070538      3.336606
  C     -11.078570      1.104953      2.564564
  C     -10.090948      2.074155      2.719715
  C      -9.071173      1.856647      3.639396
  F      -8.138601      2.823776      3.773786
  C      -9.010368      0.698128      4.431737
  C      -7.953281      0.435895      5.456209
  O      -8.153802     -0.325679      6.403248
  N      -6.713044      1.021972      5.217714
  C      -6.074402      1.505999      6.239094
  C     -10.031155     -0.246604      4.269336
  H      -6.605911      5.106510     -0.312430
  H      -4.922548      5.547970     -0.732450
  H      -5.736082      4.154942     -1.527004
  H      -7.580338      2.956782     -0.398488
  H      -8.740009      0.844008      0.242452
  H      -3.694912     -1.799726      4.788123
  H      -4.268055      1.898014      2.105055
  H      -7.284170     10.973107     -0.697905
  H      -6.149856     10.271384     -1.863796
  H      -7.909224     10.012951     -2.082692
  H      -5.024335     10.625757      0.195477
  H      -3.420810     10.358698      2.081043
  H      -4.835935      3.836997      3.674436
  H      -6.886955      6.902330      1.301761
  H     -13.861605     -1.831566      2.214342
  H     -12.791859     -0.823592      1.182509
  H     -13.789372     -0.053218      2.425122
  H     -11.877121      1.275957      1.836054
  H     -10.096524      3.000506      2.143119
  H      -6.579245      1.615320      7.214751
  H     -10.017179     -1.150257      4.880623
  N      -2.055145      1.889773      3.320175
  N      -1.431499      1.882374      2.293584
  H      -0.399173      1.816934      2.365202
89
Coordinates from ORCA-job orca E -6724.002357982405
  N      -2.689042      0.006319      5.353640
  Mo     -3.347290      1.848274      4.691717
  N      -4.809999      1.954933      6.178270
  C      -4.331449      2.742013      7.318560
  C      -2.898957      2.350149      7.653760
  N      -2.012097      2.233573      6.428593
  C      -1.049832      1.090996      6.613219
  C      -1.802432     -0.227750      6.462444
  C      -1.238992      3.495289      6.154005
  C      -2.173946      4.576998      5.640824
  N      -3.168881      3.891718      4.835205
  H      -1.094593     -1.046547      6.254771
  H      -2.368303     -0.493609      7.371436
  H      -0.295685      1.178234      5.820613
  H      -0.551131      1.180972      7.590285
  H      -2.667563      5.130949      6.455678
  H      -1.623784      5.320022      5.041271
  H      -0.704179      3.801211      7.066441
  H      -0.499723      3.242456      5.383559
  H      -4.954828      2.569197      8.210660
  H      -4.407831      3.814817      7.076750
  H      -2.910998      1.363797      8.133199
  H      -2.434607      3.062413      8.352198
  C      -5.487177      4.721288     -0.535540
  C      -4.989331      3.794235      0.541205
  O      -3.963992      4.040213      1.177730
  C      -5.771605      2.553533      0.841531
  C      -6.996344      2.248614      0.227011
  C      -7.664914      1.068425      0.533868
  C      -7.109442      0.184377      1.454723
  F      -7.792046     -0.932045      1.738677
  C      -5.887661      0.455585      2.102335
  C      -5.279223     -0.494988      3.065559
  O      -5.548014     -1.684512      3.136326
  N      -4.258240      0.058245      3.868364
  C      -3.560962     -0.731789      4.698848
  C      -5.244711      1.647291      1.764845
  C      -7.140304     10.114445     -1.339063
  C      -7.095567      8.855418     -0.507296
  O      -7.834822      7.903487     -0.748212
  C      -6.095477      8.773034      0.604845
  C      -5.099037      9.741722      0.811895
  C      -4.173661      9.589459      1.838094
  C      -4.234883      8.463020      2.654121
  F      -3.323623      8.371863      3.641691
  C      -5.219621      7.473881      2.488277
  C      -5.353508      6.212061      3.275726
  O      -6.422625      5.601326      3.310847
  N      -4.210206      5.804969      3.976364
  C      -4.119879      4.513366      4.138018
  C      -6.145598      7.670014      1.458552
  C     -13.194073     -0.970096      2.191422
  C     -12.075502     -1.168162      3.188303
  O     -11.967249     -2.212247      3.822321
  C     -11.073967     -0.065962      3.365887
  C     -11.152128      1.151093      2.665214
  C     -10.197747      2.144987      2.862420
  C      -9.154824      1.911875      3.751793
  F      -8.252727      2.901364      3.924461
  C      -9.040194      0.713569      4.475580
  C      -7.963968      0.434950      5.474711
  O      -8.134921     -0.372270      6.389155
  N      -6.732699      1.037676      5.230241
  C      -6.086810      1.515279      6.249885
  C     -10.027302     -0.257672      4.271306
  H      -6.497723      5.095231     -0.308970
  H      -4.803533      5.572726     -0.627807
  H      -5.550420      4.189556     -1.498405
  H      -7.438172      2.936244     -0.494354
  H      -8.623501      0.818638      0.080100
  H      -3.722372     -1.809484      4.815279
  H      -4.260411      1.882109      2.179781
  H      -7.298635     11.000121     -0.704045
  H      -6.183225     10.263325     -1.866145
  H      -7.947831     10.034732     -2.073706
  H      -5.035045     10.620043      0.169039
  H      -3.397627     10.331803      2.021921
  H      -4.863727      3.833410      3.663924
  H      -6.927305      6.924235      1.316530
  H     -13.810491     -1.875918      2.157730
  H     -12.794130     -0.757867      1.188237
  H     -13.821966     -0.112515      2.477094
  H     -11.968039      1.334589      1.960780
  H     -10.246188      3.101339      2.341402
  H      -6.583895      1.618851      7.230327
  H      -9.970971     -1.193422      4.828892
  N      -2.085388      1.866109      3.306287
  N      -1.468932      1.850397      2.275382
  H      -0.435432      1.780889      2.340112
89
Coordinates from ORCA-job orca E -6724.002166691615
  N      -2.658352      0.020067      5.336495
  Mo     -3.340625      1.861937      4.702152
  N      -4.797236      1.932532      6.194391
  C      -4.323214      2.704253      7.345594
  C      -2.885020      2.325103      7.666501
  N      -2.002412      2.235540      6.435755
  C      -1.026824      1.104194      6.599612
  C      -1.763186     -0.218651      6.435337
  C      -1.242624      3.504999      6.172502
  C      -2.187333      4.585019      5.680916
  N      -3.185795      3.907148      4.874353
  H      -1.049738     -1.024137      6.211942
  H      -2.318865     -0.501736      7.342875
  H      -0.279162      1.211086      5.804559
  H      -0.525465      1.187724      7.573949
  H      -2.677306      5.124813      6.506484
  H      -1.646919      5.338261      5.087512
  H      -0.704949      3.802538      7.084522
  H      -0.507417      3.267185      5.394182
  H      -4.939613      2.508534      8.237530
  H      -4.413524      3.778365      7.122710
  H      -2.882718      1.333277      8.131871
  H      -2.426327      3.032352      8.371792
  C      -5.726036      4.780521     -0.455076
  C      -5.165854      3.862923      0.595343
  O      -4.140020      4.143833      1.212257
  C      -5.887573      2.585015      0.887936
  C      -7.106839      2.234993      0.279081
  C      -7.725323      1.025601      0.579689
  C      -7.128362      0.159106      1.489264
  F      -7.760005     -0.987628      1.765504
  C      -5.911024      0.468880      2.125677
  C      -5.259548     -0.481763      3.059411
  O      -5.510283     -1.676030      3.121383
  N      -4.237713      0.075740      3.859216
  C      -3.526507     -0.720036      4.675150
  C      -5.315102      1.688657      1.794434
  C      -7.087390      9.960425     -1.421551
  C      -7.073238      8.758273     -0.509103
  O      -7.855424      7.828550     -0.672412
  C      -6.058989      8.708489      0.594407
  C      -5.023732      9.651751      0.730040
  C      -4.089133      9.530969      1.755900
  C      -4.179002      8.459848      2.642495
  F      -3.254364      8.397939      3.623589
  C      -5.201703      7.495875      2.546557
  C      -5.372438      6.289484      3.411238
  O      -6.437222      5.668497      3.422750
  N      -4.220710      5.847196      4.075795
  C      -4.144844      4.550842      4.203987
  C      -6.135380      7.661892      1.515428
  C     -13.135475     -0.890984      2.076755
  C     -12.018757     -1.135828      3.064052
  O     -11.917544     -2.204433      3.655036
  C     -11.025962     -0.035932      3.301688
  C     -11.100631      1.204207      2.645089
  C     -10.154391      2.190762      2.892625
  C      -9.119182      1.926001      3.785995
  F      -8.222611      2.913834      4.002757
  C      -9.003858      0.702026      4.460249
  C      -7.922802      0.381981      5.440487
  O      -8.102132     -0.422210      6.354708
  N      -6.700394      1.013353      5.223285
  C      -6.069258      1.480047      6.256721
  C      -9.984546     -0.260453      4.210159
  H      -6.745027      5.103391     -0.197951
  H      -5.084969      5.660198     -0.548486
  H      -5.789028      4.261754     -1.422117
  H      -7.582806      2.910214     -0.431819
  H      -8.676126      0.739841      0.130387
  H      -3.676426     -1.805835      4.777296
  H      -4.336178      1.955835      2.198992
  H      -7.198439     10.888824     -0.844659
  H      -6.139160     10.037164     -1.971483
  H      -7.911371      9.865990     -2.136742
  H      -4.936909     10.485649      0.032955
  H      -3.283323     10.255685      1.884735
  H      -4.907966      3.895410      3.729855
  H      -6.945540      6.938247      1.428074
  H     -13.752945     -1.789204      2.003262
  H     -12.735158     -0.638925      1.082862
  H     -13.758822     -0.041479      2.398688
  H     -11.901336      1.404731      1.942470
  H     -10.201523      3.164420      2.405091
  H      -6.570519      1.556172      7.238153
  H      -9.926031     -1.217115      4.730766
  N      -2.086379      1.911759      3.310842
  N      -1.473015      1.918485      2.277724
  H      -0.432764      1.858660      2.338096
89
Coordinates from ORCA-job orca E -6724.002866896042
  N      -2.656292      0.013335      5.366057
  Mo     -3.334251      1.845153      4.696852
  N      -4.802594      1.940512      6.177223
  C      -4.336054      2.731889      7.318615
  C      -2.900300      2.357724      7.657115
  N      -2.008938      2.247314      6.434676
  C      -1.034392      1.118009      6.625591
  C      -1.770512     -0.208209      6.476864
  C      -1.247850      3.513681      6.156133
  C      -2.190657      4.584963      5.640208
  N      -3.183804      3.893152      4.837483
  H      -1.054628     -1.018550      6.272847
  H      -2.334900     -0.476794      7.384595
  H      -0.279795      1.211667      5.834902
  H      -0.540523      1.217572      7.603117
  H      -2.687174      5.138013      6.453442
  H      -1.646610      5.329647      5.038428
  H      -0.716380      3.826852      7.067278
  H      -0.506720      3.263842      5.386981
  H      -4.959206      2.551499      8.209235
  H      -4.424270      3.802896      7.076898
  H      -2.901426      1.373535      8.139706
  H      -2.446297      3.077436      8.353645
  C      -5.708431      4.706252     -0.491670
  C      -5.146108      3.794326      0.564187
  O      -4.100678      4.063535      1.154669
  C      -5.871179      2.522008      0.873918
  C      -7.095223      2.171348      0.278271
  C      -7.711969      0.964438      0.590105
  C      -7.108319      0.101265      1.499375
  F      -7.737860     -1.044734      1.784422
  C      -5.887522      0.415390      2.127779
  C      -5.231760     -0.525526      3.069632
  O      -5.492733     -1.715762      3.157383
  N      -4.219806      0.044609      3.872982
  C      -3.516995     -0.737075      4.708616
  C      -5.293803      1.631581      1.782988
  C      -7.099936     10.128838     -1.340777
  C      -7.064579      8.877986     -0.496663
  O      -7.850268      7.955742     -0.691995
  C      -6.051766      8.787962      0.604804
  C      -5.023026      9.730483      0.780114
  C      -4.086478      9.569724      1.796989
  C      -4.169812      8.461298      2.636281
  F      -3.244486      8.361242      3.612009
  C      -5.187727      7.498741      2.502581
  C      -5.348787      6.256317      3.316230
  O      -6.428698      5.664030      3.358348
  N      -4.207579      5.822845      4.003691
  C      -4.137264      4.528384      4.151377
  C      -6.122986      7.703485      1.481095
  C     -13.167317     -0.919806      2.119482
  C     -12.041306     -1.151602      3.099904
  O     -11.950086     -2.202048      3.724960
  C     -11.041730     -0.052526      3.309255
  C     -11.110257      1.173711      2.625229
  C     -10.156675      2.160992      2.847503
  C      -9.122058      1.911050      3.744101
  F      -8.220584      2.898086      3.940144
  C      -9.014671      0.702068      4.448195
  C      -7.940173      0.401989      5.442864
  O      -8.124884     -0.391548      6.365816
  N      -6.710814      1.015043      5.214171
  C      -6.076641      1.492694      6.240829
  C     -10.002421     -0.261239      4.221963
  H      -6.718096      5.051064     -0.222015
  H      -5.053350      5.574586     -0.608679
  H      -5.796545      4.175001     -1.451381
  H      -7.575016      2.842736     -0.433843
  H      -8.665994      0.677047      0.148775
  H      -3.666785     -1.819061      4.825874
  H      -4.310285      1.900284      2.176927
  H      -7.213762     11.024168     -0.712154
  H      -6.157110     10.244873     -1.896251
  H      -7.930876     10.065126     -2.050968
  H      -4.941387     10.593880      0.119267
  H      -3.284332     10.291459      1.955224
  H      -4.895409      3.867505      3.678791
  H      -6.928464      6.978786      1.362782
  H     -13.797418     -1.813384      2.078063
  H     -12.774781     -0.699974      1.114982
  H     -13.777193     -0.054980      2.424189
  H     -11.914764      1.365723      1.918044
  H     -10.198959      3.124577      2.339152
  H      -6.581176      1.590355      7.218342
  H      -9.950862     -1.205824      4.765070
  N      -2.068506      1.875033      3.315379
  N      -1.447237      1.867419      2.287109
  H      -0.410407      1.805348      2.356801
89
Coordinates from ORCA-job orca E -6724.002830912810
  N      -2.675269      0.011070      5.356147
  Mo     -3.351817      1.846804      4.692748
  N      -4.807799      1.949709      6.185128
  C      -4.327657      2.740313      7.322099
  C      -2.890092      2.359799      7.649245
  N      -2.009482      2.243885      6.419359
  C      -1.037734      1.109271      6.603447
  C      -1.781652     -0.215060      6.460718
  C      -1.245978      3.508280      6.133020
  C      -2.190682      4.583028      5.625463
  N      -3.195288      3.894378      4.832324
  H      -1.069985     -1.029936      6.251495
  H      -2.341270     -0.481642      7.373251
  H      -0.288654      1.199449      5.806527
  H      -0.534838      1.206912      7.577544
  H      -2.677697      5.138475      6.443232
  H      -1.649913      5.326465      5.018148
  H      -0.704161      3.820330      7.039235
  H      -0.512739      3.255482      5.356956
  H      -4.944218      2.563085      8.218067
  H      -4.413374      3.812457      7.080453
  H      -2.891297      1.375658      8.133320
  H      -2.426609      3.078813      8.341249
  C      -5.676445      4.724664     -0.479435
  C      -5.119723      3.792750      0.563876
  O      -4.072493      4.047456      1.160067
  C      -5.867438      2.534150      0.877231
  C      -7.097889      2.204959      0.286867
  C      -7.731384      1.007063      0.597955
  C      -7.136641      0.130549      1.501363
  F      -7.783361     -1.006507      1.785643
  C      -5.910783      0.427588      2.129530
  C      -5.267815     -0.515774      3.078130
  O      -5.525721     -1.706923      3.157773
  N      -4.248554      0.048969      3.875563
  C      -3.542244     -0.735001      4.704886
  C      -5.302131      1.635171      1.785127
  C      -7.062897     10.133874     -1.347075
  C      -7.044291      8.889025     -0.493285
  O      -7.815079      7.956037     -0.706607
  C      -6.037738      8.800006      0.612898
  C      -5.010219      9.741574      0.790328
  C      -4.079560      9.581850      1.810719
  C      -4.167739      8.475594      2.651504
  F      -3.247761      8.376185      3.630347
  C      -5.185985      7.515623      2.517799
  C      -5.353825      6.277797      3.336475
  O      -6.433146      5.684804      3.368963
  N      -4.212406      5.832953      4.015670
  C      -4.151678      4.537043      4.157670
  C      -6.114621      7.718117      1.491380
  C     -13.147472     -1.000547      2.130686
  C     -12.040004     -1.190415      3.141378
  O     -11.940145     -2.228157      3.787036
  C     -11.041596     -0.085799      3.322422
  C     -11.104229      1.120099      2.601257
  C     -10.152215      2.116037      2.800789
  C      -9.127016      1.895399      3.713402
  F      -8.226991      2.886627      3.888918
  C      -9.027872      0.708392      4.457935
  C      -7.968789      0.444031      5.479770
  O      -8.155550     -0.351268      6.401105
  N      -6.731750      1.035292      5.239616
  C      -6.084483      1.510428      6.259335
  C     -10.012889     -0.264595      4.250899
  H      -6.680673      5.080481     -0.200242
  H      -5.009285      5.586619     -0.590666
  H      -5.777073      4.205776     -1.445908
  H      -7.569399      2.885620     -0.422157
  H      -8.691431      0.736063      0.159478
  H      -3.694842     -1.813970      4.822159
  H      -4.312472      1.889473      2.176662
  H      -7.189927     11.034699     -0.726551
  H      -6.107880     10.246611     -1.886380
  H      -7.880264     10.063730     -2.071946
  H      -4.924825     10.603315      0.127874
  H      -3.278030     10.302366      1.970571
  H      -4.915324      3.881754      3.688029
  H      -6.920638      6.994519      1.371948
  H     -13.769855     -1.902289      2.105444
  H     -12.735050     -0.809049      1.128368
  H     -13.771856     -0.133362      2.394179
  H     -11.906636      1.293495      1.879066
  H     -10.189775      3.064435      2.264121
  H      -6.580786      1.616101      7.239885
  H      -9.968253     -1.191947      4.823208
  N      -2.099415      1.874300      3.299134
  N      -1.489334      1.867451      2.264243
  H      -0.455883      1.794152      2.322916
89
Coordinates from ORCA-job orca E -6724.003030657217
  N      -2.662412      0.011522      5.365478
  Mo     -3.346029      1.841279      4.692301
  N      -4.808357      1.942543      6.177768
  C      -4.337178      2.738350      7.314611
  C      -2.898649      2.367210      7.647891
  N      -2.012585      2.250972      6.421742
  C      -1.035688      1.122714      6.613929
  C      -1.771683     -0.205692      6.473711
  C      -1.254099      3.517112      6.132267
  C      -2.201384      4.585549      5.617831
  N      -3.202288      3.890928      4.824945
  H      -1.055575     -1.017119      6.270069
  H      -2.332841     -0.471335      7.385017
  H      -0.284364      1.213740      5.819468
  H      -0.537289      1.227180      7.589188
  H      -2.692395      5.142506      6.431952
  H      -1.662055      5.328361      5.008980
  H      -0.716426      3.835125      7.038541
  H      -0.517661      3.263933      5.359493
  H      -4.955907      2.559558      8.208726
  H      -4.428255      3.809031      7.070138
  H      -2.896091      1.385261      8.135790
  H      -2.441822      3.091346      8.338550
  C      -5.695717      4.711442     -0.463371
  C      -5.131006      3.782285      0.577261
  O      -4.086813      4.044757      1.174057
  C      -5.865164      2.514092      0.883402
  C      -7.089705      2.172281      0.286158
  C      -7.712422      0.967405      0.592989
  C      -7.113298      0.096536      1.498635
  F      -7.749974     -1.046898      1.779471
  C      -5.892551      0.404319      2.131255
  C      -5.244742     -0.534925      3.080182
  O      -5.496200     -1.727614      3.160642
  N      -4.230513      0.036755      3.878820
  C      -3.522967     -0.741559      4.713129
  C      -5.294355      1.618749      1.791545
  C      -7.078117     10.150810     -1.336296
  C      -7.058528      8.904643     -0.484608
  O      -7.840107      7.979590     -0.689001
  C      -6.043532      8.807915      0.613530
  C      -5.007204      9.742074      0.783098
  C      -4.069435      9.575542      1.796678
  C      -4.159259      8.469705      2.638347
  F      -3.231792      8.363440      3.610154
  C      -5.185741      7.516522      2.511669
  C      -5.356662      6.279503      3.331162
  O      -6.441568      5.696954      3.375429
  N      -4.215789      5.830648      4.008729
  C      -4.158663      4.534358      4.149359
  C      -6.121311      7.726201      1.492410
  C     -13.169695     -0.950812      2.130680
  C     -12.052495     -1.166123      3.125135
  O     -11.960312     -2.210599      3.760571
  C     -11.044360     -0.071384      3.313688
  C     -11.101215      1.141961      2.605548
  C     -10.140177      2.127103      2.810093
  C      -9.111436      1.887949      3.714987
  F      -8.201881      2.870217      3.894918
  C      -9.016814      0.692458      4.445284
  C      -7.950314      0.407072      5.453560
  O      -8.145301     -0.368657      6.389766
  N      -6.718063      1.012779      5.222568
  C      -6.082792      1.496287      6.245851
  C     -10.010881     -0.268970      4.234104
  H      -6.702586      5.056722     -0.182144
  H      -5.036773      5.579239     -0.572109
  H      -5.792256      4.194878     -1.430933
  H      -7.565488      2.849149     -0.423595
  H      -8.667877      0.687098      0.150228
  H      -3.670931     -1.822024      4.833260
  H      -4.309516      1.882599      2.187848
  H      -7.192081     11.050975     -0.713407
  H      -6.129106     10.257842     -1.885349
  H      -7.903702     10.087692     -2.052504
  H      -4.920746     10.603489      0.120287
  H      -3.261051     10.290446      1.950455
  H      -4.924204      3.882074      3.679702
  H      -6.933614      7.008667      1.379044
  H     -13.803677     -1.843529      2.103286
  H     -12.767319     -0.754401      1.125108
  H     -13.778678     -0.077759      2.411067
  H     -11.904405      1.327937      1.891270
  H     -10.172974      3.080896      2.282837
  H      -6.585687      1.598760      7.223577
  H      -9.969471     -1.202973      4.796100
  N      -2.089338      1.870499      3.302671
  N      -1.475690      1.864442      2.269771
  H      -0.440610      1.794877      2.332076
89
Coordinates from ORCA-job orca E -6724.003033640131
  N      -2.660183      0.011076      5.371447
  Mo     -3.348160      1.837900      4.693527
  N      -4.807647      1.942201      6.181083
  C      -4.334784      2.738910      7.316245
  C      -2.895016      2.371076      7.645897
  N      -2.011909      2.253156      6.417875
  C      -1.032798      1.128040      6.611236
  C      -1.766607     -0.201216      6.477650
  C      -1.255823      3.518234      6.121366
  C      -2.204589      4.584349      5.607085
  N      -3.210264      3.889212      4.820278
  H      -1.050617     -1.011623      6.274820
  H      -2.324605     -0.463990      7.390921
  H      -0.284107      1.217602      5.814525
  H      -0.532524      1.237037      7.584407
  H      -2.691933      5.144186      6.421137
  H      -1.667657      5.324710      4.993897
  H      -0.715351      3.839400      7.024395
  H      -0.522181      3.262394      5.347048
  H      -4.950686      2.559426      8.212067
  H      -4.428314      3.808799      7.071585
  H      -2.889367      1.390626      8.135944
  H      -2.437774      3.097439      8.333307
  C      -5.757460      4.712908     -0.433521
  C      -5.178741      3.787236      0.601302
  O      -4.129288      4.053587      1.185810
  C      -5.895885      2.508195      0.902169
  C      -7.116614      2.152793      0.302750
  C      -7.725842      0.940104      0.606979
  C      -7.118302      0.075694      1.512639
  F      -7.741216     -1.075598      1.790662
  C      -5.900542      0.394559      2.144741
  C      -5.242608     -0.543684      3.087548
  O      -5.497024     -1.735386      3.174711
  N      -4.229467      0.030696      3.885622
  C      -3.520616     -0.745434      4.721906
  C      -5.314669      1.616179      1.807215
  C      -7.066010     10.150979     -1.341117
  C      -7.047296      8.909034     -0.483449
  O      -7.853462      8.000833     -0.660474
  C      -6.024943      8.810229      0.608318
  C      -4.973134      9.731130      0.759382
  C      -4.028969      9.562220      1.767823
  C      -4.128157      8.467300      2.623111
  F      -3.193459      8.358208      3.588823
  C      -5.170220      7.527621      2.514822
  C      -5.353087      6.302078      3.349094
  O      -6.445937      5.735355      3.406809
  N      -4.212012      5.838852      4.016490
  C      -4.167628      4.541414      4.152157
  C      -6.111473      7.739793      1.500342
  C     -13.134142     -0.959001      2.083283
  C     -12.008808     -1.184302      3.065830
  O     -11.905003     -2.239229      3.681341
  C     -11.024789     -0.073927      3.289003
  C     -11.102057      1.154106      2.609555
  C     -10.162912      2.152391      2.844285
  C      -9.133991      1.911551      3.749558
  F      -8.247394      2.909229      3.959622
  C      -9.017987      0.700922      4.450036
  C      -7.950157      0.411424      5.455345
  O      -8.134989     -0.389179      6.372014
  N      -6.719648      1.020964      5.225036
  C      -6.082662      1.498360      6.249969
  C      -9.991446     -0.273506      4.210499
  H      -6.763402      5.050418     -0.141983
  H      -5.105859      5.584296     -0.546566
  H      -5.859542      4.197643     -1.400217
  H      -7.600126      2.825501     -0.405606
  H      -8.677648      0.649373      0.163110
  H      -3.667404     -1.827389      4.844373
  H      -4.332715      1.889710      2.203205
  H      -7.155995     11.055223     -0.721490
  H      -6.126945     10.242038     -1.907403
  H      -7.905404     10.095900     -2.042079
  H      -4.879449     10.583745      0.086292
  H      -3.208368     10.266951      1.907023
  H      -4.943228      3.899602      3.686807
  H      -6.934974      7.032906      1.401017
  H     -13.757118     -1.857235      2.038499
  H     -12.739753     -0.735669      1.080186
  H     -13.751183     -0.098831      2.386588
  H     -11.902467      1.339452      1.896199
  H     -10.212401      3.117414      2.339663
  H      -6.584479      1.598595      7.228705
  H      -9.933561     -1.219649      4.750123
  N      -2.094314      1.866181      3.301406
  N      -1.482659      1.860627      2.267243
  H      -0.445745      1.790036      2.327646
89
Coordinates from ORCA-job orca E -6724.003120947136
  N      -2.652084      0.010852      5.372457
  Mo     -3.346078      1.835012      4.690888
  N      -4.807192      1.937661      6.176978
  C      -4.337476      2.737606      7.311392
  C      -2.896465      2.374917      7.642587
  N      -2.012221      2.257317      6.415295
  C      -1.029164      1.135602      6.611666
  C      -1.758575     -0.196836      6.479869
  C      -1.260476      3.524711      6.116228
  C      -2.213132      4.586712      5.600125
  N      -3.217618      3.887284      4.814531
  H      -1.039366     -1.005577      6.279100
  H      -2.316779     -0.460105      7.393263
  H      -0.280120      1.226259      5.815223
  H      -0.529699      1.248157      7.585156
  H      -2.702238      5.146494      6.413285
  H      -1.678880      5.328094      4.985537
  H      -0.720779      3.849601      7.018650
  H      -0.525940      3.269828      5.342336
  H      -4.953355      2.557120      8.207080
  H      -4.434493      3.807164      7.065331
  H      -2.887899      1.395265      8.134591
  H      -2.441764      3.104238      8.328870
  C      -5.762012      4.700430     -0.435006
  C      -5.176330      3.771450      0.593554
  O      -4.125661      4.038876      1.176137
  C      -5.893713      2.493666      0.899868
  C      -7.116730      2.138271      0.306595
  C      -7.723648      0.925194      0.613233
  C      -7.111357      0.060471      1.515687
  F      -7.732007     -1.091799      1.795374
  C      -5.891913      0.381002      2.144041
  C      -5.230290     -0.554747      3.087229
  O      -5.479683     -1.747411      3.174296
  N      -4.219383      0.023339      3.885271
  C      -3.508398     -0.749237      4.722817
  C      -5.308801      1.602709      1.803606
  C      -7.050709     10.163272     -1.340718
  C      -7.037356      8.919350     -0.485737
  O      -7.830580      8.002847     -0.681251
  C      -6.022839      8.819501      0.612804
  C      -4.976859      9.744421      0.775919
  C      -4.039374      9.574560      1.789768
  C      -4.139496      8.474817      2.638474
  F      -3.211643      8.364720      3.610013
  C      -5.176446      7.531657      2.518893
  C      -5.359987      6.301979      3.346747
  O      -6.453318      5.736343      3.401756
  N      -4.220271      5.837113      4.015053
  C      -4.176406      4.539188      4.147947
  C      -6.110951      7.744291      1.498776
  C     -13.151244     -0.946505      2.096583
  C     -12.028714     -1.171449      3.082580
  O     -11.925355     -2.227001      3.697449
  C     -11.033310     -0.069059      3.293623
  C     -11.101962      1.155552      2.606751
  C     -10.152409      2.147172      2.830785
  C      -9.122745      1.903044      3.733572
  F      -8.224729      2.892270      3.933186
  C      -9.015930      0.696085      4.442603
  C      -7.948917      0.405299      5.448735
  O      -8.139561     -0.386191      6.372195
  N      -6.717125      1.012370      5.219488
  C      -6.081710      1.491877      6.244558
  C      -9.998962     -0.271717      4.212603
  H      -6.766472      5.036852     -0.135964
  H      -5.111011      5.572759     -0.549342
  H      -5.870085      4.188505     -1.403225
  H      -7.603337      2.810718     -0.399957
  H      -8.677116      0.634014      0.173271
  H      -3.651648     -1.830766      4.846100
  H      -4.324689      1.876908      2.194708
  H      -7.155215     11.065742     -0.720076
  H      -6.103706     10.261334     -1.893747
  H      -7.879774     10.104676     -2.053487
  H      -4.882495     10.600941      0.107922
  H      -3.223277     10.282136      1.938286
  H      -4.950502      3.897407      3.681201
  H      -6.930418      7.034099      1.390214
  H     -13.779479     -1.842020      2.056973
  H     -12.753614     -0.732304      1.092744
  H     -13.764125     -0.081175      2.392694
  H     -11.904676      1.344779      1.894563
  H     -10.194573      3.109463      2.320207
  H      -6.585142      1.593501      7.222183
  H      -9.948401     -1.214797      4.758229
  N      -2.091872      1.866874      3.299166
  N      -1.480675      1.863874      2.264740
  H      -0.444752      1.793569      2.324826
89
Coordinates from ORCA-job orca E -6724.003151326512
  N      -2.644219      0.008524      5.377048
  Mo     -3.346563      1.829046      4.689725
  N      -4.805502      1.933610      6.177435
  C      -4.335940      2.737927      7.308934
  C      -2.892682      2.381104      7.638072
  N      -2.010618      2.261406      6.409251
  C      -1.022714      1.144012      6.608300
  C      -1.747464     -0.192030      6.483260
  C      -1.264325      3.530227      6.102060
  C      -2.222118      4.587117      5.585106
  N      -3.229568      3.883000      4.805864
  H      -1.025473     -0.999118      6.284071
  H      -2.303017     -0.453998      7.398905
  H      -0.275680      1.234235      5.809780
  H      -0.521397      1.262562      7.580342
  H      -2.709554      5.149056      6.397851
  H      -1.692468      5.327793      4.965551
  H      -0.722338      3.860870      7.001215
  H      -0.531533      3.274248      5.326792
  H      -4.949324      2.557276      8.206355
  H      -4.437224      3.806787      7.060586
  H      -2.879740      1.403241      8.133770
  H      -2.438668      3.114650      8.320519
  C      -5.775978      4.685586     -0.419621
  C      -5.183220      3.753285      0.602159
  O      -4.131806      4.021935      1.183154
  C      -5.896744      2.473122      0.908030
  C      -7.118569      2.114118      0.315378
  C      -7.720327      0.898157      0.620439
  C      -7.103968      0.034121      1.520926
  F      -7.720266     -1.120889      1.799510
  C      -5.886320      0.359617      2.150575
  C      -5.223267     -0.571352      3.097611
  O      -5.460598     -1.766822      3.179597
  N      -4.212950      0.011441      3.892457
  C      -3.497528     -0.756472      4.730534
  C      -5.308477      1.583671      1.811137
  C      -7.046352     10.169103     -1.336596
  C      -7.035315      8.924532     -0.482477
  O      -7.827003      8.006981     -0.681622
  C      -6.023991      8.824450      0.618620
  C      -4.978288      9.749002      0.783849
  C      -4.043600      9.579101      1.799856
  C      -4.146420      8.479781      2.648671
  F      -3.221791      8.369395      3.622873
  C      -5.183552      7.537601      2.527540
  C      -5.370669      6.309678      3.357228
  O      -6.467693      5.752077      3.419077
  N      -4.229985      5.837091      4.018177
  C      -4.191568      4.538295      4.146142
  C      -6.115032      7.749795      1.504915
  C     -13.155443     -0.922352      2.088906
  C     -12.033300     -1.152731      3.074166
  O     -11.937590     -2.206793      3.693042
  C     -11.030857     -0.056454      3.283155
  C     -11.089701      1.166256      2.591946
  C     -10.133107      2.152161      2.813215
  C      -9.107266      1.904345      3.718897
  F      -8.200813      2.886476      3.915130
  C      -9.011344      0.699747      4.434272
  C      -7.949673      0.407125      5.445899
  O      -8.148821     -0.378456      6.372701
  N      -6.714706      1.008617      5.219671
  C      -6.080314      1.488758      6.245086
  C     -10.000469     -0.262398      4.205487
  H      -6.779481      5.018824     -0.113139
  H      -5.126892      5.559891     -0.533547
  H      -5.888683      4.178234     -1.390031
  H      -7.608098      2.785822     -0.389927
  H      -8.673029      0.604110      0.180665
  H      -3.637005     -1.837681      4.856314
  H      -4.325230      1.861887      2.202601
  H      -7.154103     11.071275     -0.715625
  H      -6.097216     10.268307     -1.886505
  H      -7.872915     10.110082     -2.052120
  H      -4.882117     10.605342      0.115885
  H      -3.227774     10.286358      1.950128
  H      -4.969211      3.900498      3.681754
  H      -6.934479      7.039910      1.394718
  H     -13.792644     -1.812316      2.055549
  H     -12.756805     -0.718449      1.083263
  H     -13.759389     -0.049371      2.380193
  H     -11.890348      1.359176      1.877093
  H     -10.166900      3.112722      2.298605
  H      -6.584777      1.592589      7.221874
  H      -9.958135     -1.203865      4.754742
  N      -2.096406      1.863022      3.294438
  N      -1.489384      1.862410      2.257500
  H      -0.453851      1.791457      2.313594
89
Coordinates from ORCA-job orca E -6724.003178957737
  N      -2.627261      0.005827      5.383704
  Mo     -3.342277      1.820778      4.688575
  N      -4.800473      1.924688      6.176566
  C      -4.333559      2.733370      7.306029
  C      -2.887434      2.386164      7.633372
  N      -2.006760      2.266814      6.403467
  C      -1.010981      1.157105      6.606200
  C      -1.727080     -0.184291      6.488807
  C      -1.269300      3.538451      6.087393
  C      -2.234137      4.587611      5.568715
  N      -3.243706      3.877045      4.796206
  H      -1.000248     -0.987572      6.291932
  H      -2.279277     -0.445648      7.406629
  H      -0.266117      1.248337      5.805775
  H      -0.508658      1.283894      7.576669
  H      -2.720930      5.151396      6.380527
  H      -1.710530      5.327974      4.943790
  H      -0.726179      3.876772      6.983043
  H      -0.537464      3.282410      5.311252
  H      -4.944311      2.550265      8.204760
  H      -4.441704      3.801270      7.056276
  H      -2.867812      1.410122      8.132369
  H      -2.436342      3.124820      8.312226
  C      -5.823744      4.668675     -0.391456
  C      -5.212328      3.734526      0.617425
  O      -4.156547      4.007788      1.188309
  C      -5.913016      2.447410      0.924440
  C      -7.135137      2.078906      0.338393
  C      -7.724068      0.856785      0.644063
  C      -7.094850     -0.003650      1.538971
  F      -7.698822     -1.164952      1.818397
  C      -5.876601      0.331475      2.162406
  C      -5.201132     -0.595240      3.104985
  O      -5.432618     -1.791655      3.190474
  N      -4.195057     -0.005204      3.899340
  C      -3.475040     -0.766657      4.739866
  C      -5.311739      1.561129      1.822233
  C      -7.034410     10.162009     -1.343135
  C      -7.029203      8.920968     -0.483829
  O      -7.820761      8.003322     -0.683559
  C      -6.021869      8.822982      0.620972
  C      -4.974840      9.746112      0.785883
  C      -4.043958      9.578658      1.805808
  C      -4.151983      8.483081      2.658785
  F      -3.231662      8.374451      3.637340
  C      -5.190698      7.542873      2.538229
  C      -5.383678      6.319824      3.373844
  O      -6.486458      5.775622      3.448717
  N      -4.241615      5.836708      4.024357
  C      -4.210064      4.536836      4.145511
  C      -6.118268      7.752270      1.511501
  C     -13.148513     -0.882028      2.055747
  C     -12.026659     -1.125156      3.038199
  O     -11.924798     -2.191162      3.635294
  C     -11.024530     -0.031574      3.262197
  C     -11.084018      1.200594      2.588190
  C     -10.127401      2.183611      2.822307
  C      -9.100947      1.923315      3.723622
  F      -8.193981      2.902328      3.932468
  C      -9.004961      0.709305      4.423311
  C      -7.944729      0.404530      5.433116
  O      -8.147412     -0.388271      6.352806
  N      -6.708003      1.004426      5.212968
  C      -6.075749      1.480948      6.241412
  C      -9.993906     -0.249741      4.181543
  H      -6.824785      4.994051     -0.068911
  H      -5.181397      5.547411     -0.508840
  H      -5.946916      4.166896     -1.363382
  H      -7.635006      2.748090     -0.362045
  H      -8.676853      0.555449      0.209454
  H      -3.608432     -1.848388      4.868053
  H      -4.328504      1.847615      2.208526
  H      -7.143975     11.066863     -0.726382
  H      -6.082727     10.257673     -1.889247
  H      -7.857890     10.101007     -2.062080
  H      -4.874933     10.599586      0.114853
  H      -3.227395     10.285048      1.956064
  H      -4.992579      3.904670      3.684165
  H      -6.938677      7.043490      1.401376
  H     -13.785432     -1.771607      2.010644
  H     -12.748926     -0.665987      1.052955
  H     -13.752647     -0.012663      2.357120
  H     -11.885057      1.403639      1.876437
  H     -10.161403      3.151179      2.321141
  H      -6.582358      1.583526      7.217204
  H      -9.951776     -1.198541      4.717956
  N      -2.094854      1.860109      3.291019
  N      -1.491340      1.864179      2.251966
  H      -0.455508      1.795410      2.304745
89
Coordinates from ORCA-job orca E -6724.003195480139
  N      -2.615609      0.004070      5.387714
  Mo     -3.337969      1.816912      4.690534
  N      -4.793709      1.919554      6.180655
  C      -4.326681      2.729279      7.309193
  C      -2.878824      2.386372      7.633351
  N      -2.000517      2.268456      6.401599
  C      -1.000370      1.162799      6.603948
  C      -1.711862     -0.181229      6.490535
  C      -1.268081      3.541713      6.081093
  C      -2.236904      4.587339      5.563329
  N      -3.248538      3.874180      4.795134
  H      -0.982668     -0.982062      6.292989
  H      -2.260625     -0.443204      7.410159
  H      -0.257728      1.255140      5.801623
  H      -0.496264      1.293134      7.572964
  H      -2.722194      5.151651      6.375636
  H      -1.716931      5.327708      4.935483
  H      -0.723532      3.883362      6.974589
  H      -0.537509      3.286240      5.303605
  H      -4.935041      2.544383      8.209186
  H      -4.438273      3.796870      7.059703
  H      -2.855433      1.410680      8.132749
  H      -2.428196      3.126653      8.310661
  C      -5.857962      4.650110     -0.385545
  C      -5.237729      3.721892      0.623278
  O      -4.183723      4.004379      1.192821
  C      -5.927880      2.429578      0.932606
  C      -7.148181      2.051078      0.348883
  C      -7.727281      0.824717      0.656490
  C      -7.089986     -0.029954      1.550973
  F      -7.683777     -1.196159      1.831662
  C      -5.873129      0.314852      2.171810
  C      -5.189276     -0.607614      3.112519
  O      -5.414923     -1.805154      3.199033
  N      -4.185044     -0.013103      3.905676
  C      -3.461392     -0.771860      4.745901
  C      -5.318220      1.548584      1.830117
  C      -7.036301     10.140655     -1.347830
  C      -7.032996      8.904157     -0.481990
  O      -7.823715      7.985329     -0.679209
  C      -6.028800      8.812204      0.626173
  C      -4.982845      9.736962      0.789630
  C      -4.054694      9.575419      1.813146
  C      -4.164305      8.483796      2.670939
  F      -3.247296      8.380222      3.653386
  C      -5.201838      7.542206      2.551762
  C      -5.395321      6.323107      3.393126
  O      -6.500201      5.785009      3.478527
  N      -4.249939      5.835556      4.034074
  C      -4.219204      4.535342      4.151665
  C      -6.127083      7.745772      1.521750
  C     -13.137882     -0.838774      2.024606
  C     -12.015548     -1.094199      3.003362
  O     -11.916546     -2.165662      3.591047
  C     -11.014110     -0.002974      3.241621
  C     -11.071514      1.235883      2.579934
  C     -10.114728      2.215767      2.825817
  C      -9.090374      1.945830      3.726809
  F      -8.182555      2.921779      3.946169
  C      -8.997287      0.725335      4.415541
  C      -7.940567      0.410500      5.426004
  O      -8.147211     -0.389508      6.338399
  N      -6.701358      1.007356      5.212110
  C      -6.070085      1.478934      6.243365
  C      -9.986055     -0.230562      4.161798
  H      -6.860488      4.968775     -0.061061
  H      -5.222382      5.533236     -0.505571
  H      -5.979861      4.146283     -1.356457
  H      -7.654460      2.715950     -0.351048
  H      -8.678506      0.515834      0.223756
  H      -3.591557     -1.854111      4.874479
  H      -4.336676      1.843012      2.214839
  H      -7.147933     11.048598     -0.736166
  H      -6.083261     10.233834     -1.891731
  H      -7.857775     10.075560     -2.068752
  H      -4.881699     10.587143      0.114631
  H      -3.239272     10.283419      1.962443
  H      -5.004543      3.904570      3.693930
  H      -6.946665      7.035796      1.412694
  H     -13.777166     -1.726077      1.972048
  H     -12.738493     -0.615150      1.023389
  H     -13.739269      0.029677      2.334097
  H     -11.870464      1.446458      1.868452
  H     -10.146780      3.188165      2.333999
  H      -6.577866      1.580141      7.218697
  H      -9.946059     -1.184561      4.689072
  N      -2.093545      1.860023      3.290429
  N      -1.493514      1.867358      2.249331
  H      -0.457131      1.801765      2.298636
89
Coordinates from ORCA-job orca E -6724.003217376470
  N      -2.592577     -0.000082      5.394239
  Mo     -3.329917      1.809926      4.697084
  N      -4.777376      1.908777      6.194653
  C      -4.307429      2.718625      7.321539
  C      -2.855751      2.382791      7.635805
  N      -1.984741      2.269286      6.398352
  C      -0.976163      1.170888      6.596139
  C      -1.679294     -0.177803      6.490044
  C      -1.262240      3.545906      6.069911
  C      -2.239231      4.585791      5.556956
  N      -3.256345      3.868742      4.798563
  H      -0.946153     -0.973679      6.288030
  H      -2.219003     -0.442405      7.414140
  H      -0.239451      1.266145      5.788758
  H      -0.466563      1.306517      7.561455
  H      -2.719702      5.150531      6.371770
  H      -1.726974      5.326460      4.923267
  H      -0.713424      3.892632      6.958802
  H      -0.535448      3.292428      5.288295
  H      -4.909382      2.529543      8.224994
  H      -4.425471      3.786021      7.074170
  H      -2.824497      1.406940      8.134249
  H      -2.404169      3.124805      8.310431
  C      -5.925785      4.618626     -0.362779
  C      -5.289233      3.700413      0.644753
  O      -4.236400      3.997264      1.208838
  C      -5.957590      2.396542      0.953711
  C      -7.173884      1.999530      0.373242
  C      -7.734069      0.764658      0.682115
  C      -7.081780     -0.080035      1.574810
  F      -7.657431     -1.254636      1.857841
  C      -5.868160      0.282896      2.191894
  C      -5.169967     -0.630508      3.130499
  O      -5.381319     -1.830934      3.216370
  N      -4.168755     -0.027006      3.920419
  C      -3.436126     -0.781652      4.757300
  C      -5.332065      1.524498      1.849157
  C      -7.056971     10.072936     -1.360230
  C      -7.053215      8.847796     -0.478376
  O      -7.848192      7.929538     -0.659683
  C      -6.053188      8.773082      0.634857
  C      -5.008626      9.701344      0.788589
  C      -4.083941      9.556589      1.818041
  C      -4.195559      8.477411      2.691000
  F      -3.283598      8.388692      3.680113
  C      -5.231282      7.532891      2.581356
  C      -5.423306      6.325752      3.440358
  O      -6.531966      5.801696      3.554940
  N      -4.269294      5.831504      4.059357
  C      -4.237858      4.531120      4.172197
  C      -6.154065      7.719873      1.546044
  C     -13.103103     -0.734039      1.942493
  C     -11.987756     -1.014217      2.922498
  O     -11.893100     -2.100136      3.483632
  C     -10.986949      0.069902      3.193713
  C     -11.036505      1.322906      2.558669
  C     -10.078838      2.294278      2.832560
  C      -9.061707      2.002114      3.735101
  F      -8.151616      2.970005      3.979532
  C      -8.978318      0.767778      4.399951
  C      -7.931586      0.429165      5.413199
  O      -8.149650     -0.384840      6.310134
  N      -6.686337      1.018326      5.215230
  C      -6.056808      1.477170      6.253043
  C      -9.967138     -0.179646      4.117853
  H      -6.930824      4.924744     -0.034309
  H      -5.302943      5.509946     -0.486975
  H      -6.045562      4.111721     -1.332212
  H      -7.692425      2.657277     -0.324412
  H      -8.682194      0.442282      0.252379
  H      -3.559899     -1.865008      4.885173
  H      -4.355202      1.834488      2.233824
  H      -7.167290     10.988731     -0.760405
  H      -6.104609     10.158382     -1.906060
  H      -7.879213      9.999016     -2.079481
  H      -4.905913     10.541307      0.101163
  H      -3.270335     10.268303      1.960190
  H      -5.028991      3.901124      3.724230
  H      -6.972733      7.007586      1.444458
  H     -13.743847     -1.618277      1.866119
  H     -12.696322     -0.489993      0.948996
  H     -13.704424      0.129153      2.266535
  H     -11.828922      1.550855      1.846041
  H     -10.104303      3.276930      2.361169
  H      -6.566582      1.574960      7.227678
  H      -9.934315     -1.144665      4.625233
  N      -2.094930      1.861524      3.289001
  N      -1.504554      1.876458      2.242334
  H      -0.467014      1.818207      2.281866
89
Coordinates from ORCA-job orca E -6724.003250986828
  N      -2.562651     -0.005637      5.406539
  Mo     -3.319376      1.798771      4.706598
  N      -4.754776      1.896293      6.214651
  C      -4.279970      2.708087      7.337683
  C      -2.823307      2.381631      7.638520
  N      -1.962673      2.271657      6.393210
  C      -0.943419      1.182726      6.586345
  C      -1.636279     -0.171862      6.492724
  C      -1.252895      3.551949      6.052517
  C      -2.240487      4.583516      5.543991
  N      -3.264090      3.859515      4.800192
  H      -0.898597     -0.962091      6.285545
  H      -2.163442     -0.437943      7.423551
  H      -0.214846      1.279887      5.771853
  H      -0.426180      1.326905      7.546297
  H      -2.714717      5.150546      6.360856
  H      -1.738098      5.323175      4.901278
  H      -0.698582      3.906709      6.934814
  H      -0.531106      3.299635      5.265955
  H      -4.873016      2.515679      8.246364
  H      -4.406011      3.774864      7.091201
  H      -2.781520      1.406497      8.137464
  H      -2.369883      3.127047      8.308035
  C      -6.022802      4.567936     -0.322988
  C      -5.359704      3.658964      0.675584
  O      -4.309773      3.975767      1.233976
  C      -6.000054      2.341401      0.986008
  C      -7.212394      1.920887      0.413061
  C      -7.748149      0.676190      0.726014
  C      -7.075630     -0.154685      1.616324
  F      -7.628911     -1.338222      1.905993
  C      -5.864788      0.231641      2.225299
  C      -5.146475     -0.667456      3.161792
  O      -5.341339     -1.870564      3.253319
  N      -4.149290     -0.048939      3.945153
  C      -3.403941     -0.795881      4.778490
  C      -5.353143      1.481998      1.878272
  C      -7.094080      9.995543     -1.366743
  C      -7.094176      8.785757     -0.463893
  O      -7.890748      7.866292     -0.630907
  C      -6.093252      8.726290      0.649441
  C      -5.048467      9.656670      0.789116
  C      -4.123722      9.528499      1.820957
  C      -4.235226      8.462318      2.709397
  F      -3.325706      8.388397      3.702493
  C      -5.270012      7.515669      2.612991
  C      -5.457739      6.321790      3.491460
  O      -6.569411      5.815134      3.643530
  N      -4.293409      5.820538      4.083381
  C      -4.260138      4.520425      4.194441
  C      -6.194091      7.686282      1.576208
  C     -13.044834     -0.586804      1.820088
  C     -11.938409     -0.901573      2.799872
  O     -11.852838     -2.004513      3.328170
  C     -10.941214      0.172626      3.119396
  C     -10.979465      1.444225      2.521509
  C     -10.023084      2.404004      2.837200
  C      -9.019062      2.082373      3.744595
  F      -8.109370      3.039677      4.028348
  C      -8.949450      0.829725      4.375605
  C      -7.919051      0.459273      5.394546
  O      -8.155403     -0.370955      6.271451
  N      -6.665497      1.037235      5.220224
  C      -6.038928      1.478873      6.267023
  C      -9.935983     -0.106256      4.051559
  H      -7.030201      4.854340      0.015806
  H      -5.418827      5.471531     -0.450260
  H      -6.142396      4.061516     -1.292607
  H      -7.747722      2.568787     -0.281102
  H      -8.693195      0.336770      0.302636
  H      -3.518939     -1.880137      4.907971
  H      -4.381821      1.811946      2.260733
  H      -7.201170     10.921694     -0.782639
  H      -6.141452     10.068573     -1.913677
  H      -7.916483      9.912157     -2.084783
  H      -4.946154     10.486171      0.089029
  H      -3.311252     10.243528      1.953052
  H      -5.058329      3.889263      3.761794
  H      -7.013387      6.973046      1.485591
  H     -13.687646     -1.465964      1.711182
  H     -12.628790     -0.314190      0.837885
  H     -13.645957      0.268356      2.165104
  H     -11.761062      1.695424      1.805216
  H     -10.039403      3.400192      2.394628
  H      -6.552263      1.574701      7.239936
  H      -9.913291     -1.085767      4.530995
  N      -2.098517      1.857170      3.286688
  N      -1.521454      1.879254      2.232566
  H      -0.482897      1.830018      2.258836
89
Coordinates from ORCA-job orca E -6724.003287585369
  N      -2.534076     -0.010962      5.426480
  Mo     -3.311511      1.784508      4.718331
  N      -4.728485      1.889673      6.241880
  C      -4.243884      2.706794      7.356261
  C      -2.781594      2.389379      7.638747
  N      -1.936248      2.277374      6.382636
  C      -0.906410      1.198149      6.571965
  C      -1.590269     -0.161943      6.499445
  C      -1.239305      3.559181      6.022695
  C      -2.238135      4.580997      5.517293
  N      -3.270491      3.847521      4.795022
  H      -0.849734     -0.948075      6.286869
  H      -2.100758     -0.425193      7.440297
  H      -0.188896      1.292766      5.747421
  H      -0.378149      1.354857      7.523915
  H      -2.703128      5.154632      6.334896
  H      -1.746591      5.315989      4.860828
  H      -0.676864      3.925102      6.895270
  H      -0.525041      3.304150      5.230214
  H      -4.824636      2.515340      8.273133
  H      -4.377489      3.772255      7.107204
  H      -2.727981      1.416965      8.141760
  H      -2.322994      3.140361      8.298366
  C      -6.164460      4.485822     -0.270123
  C      -5.466267      3.590340      0.716617
  O      -4.419047      3.932638      1.264922
  C      -6.070700      2.257084      1.032266
  C      -7.277465      1.805081      0.470652
  C      -7.781189      0.549162      0.791822
  C      -7.083070     -0.260982      1.681442
  F      -7.606872     -1.454836      1.982080
  C      -5.876288      0.157017      2.278541
  C      -5.131913     -0.719403      3.215233
  O      -5.305919     -1.924907      3.320399
  N      -4.137585     -0.078079      3.984537
  C      -3.375302     -0.812757      4.814231
  C      -5.396630      1.416880      1.922126
  C      -7.135087      9.945966     -1.356399
  C      -7.140857      8.747180     -0.438958
  O      -7.944297      7.831491     -0.592694
  C      -6.133819      8.692126      0.669102
  C      -5.085195      9.620017      0.795738
  C      -4.156844      9.499934      1.825531
  C      -4.268616      8.442685      2.723990
  F      -3.358848      8.376056      3.717860
  C      -5.305606      7.497707      2.639243
  C      -5.489849      6.314796      3.533331
  O      -6.603494      5.827238      3.722417
  N      -4.316611      5.803819      4.096367
  C      -4.283232      4.504597      4.211769
  C      -6.234238      7.660156      1.605575
  C     -12.944348     -0.427531      1.651553
  C     -11.853700     -0.776241      2.637884
  O     -11.771722     -1.899181      3.122672
  C     -10.870652      0.289943      3.021190
  C     -10.898740      1.581858      2.467481
  C      -9.953231      2.531970      2.840187
  C      -8.970648      2.181102      3.760149
  F      -8.071800      3.129620      4.099970
  C      -8.913352      0.908178      4.349207
  C      -7.905387      0.505379      5.378372
  O      -8.164774     -0.339719      6.233905
  N      -6.643078      1.070722      5.232941
  C      -6.019466      1.493751      6.288999
  C      -9.888228     -0.018573      3.968683
  H      -7.173410      4.748031      0.083541
  H      -5.584823      5.404186     -0.403523
  H      -6.286054      3.978536     -1.239007
  H      -7.834182      2.437850     -0.220630
  H      -8.721482      0.186517      0.377275
  H      -3.480487     -1.897179      4.950346
  H      -4.432922      1.773276      2.300337
  H      -7.231333     10.879830     -0.782858
  H      -6.184293     10.004544     -1.908253
  H      -7.961369      9.861183     -2.069796
  H      -4.983450     10.442651      0.087506
  H      -3.343044     10.215070      1.948505
  H      -5.090681      3.871111      3.801436
  H      -7.057113      6.949536      1.525122
  H     -13.579958     -1.304847      1.496021
  H     -12.512564     -0.113725      0.688617
  H     -13.556397      0.410144      2.019398
  H     -11.663670      1.856248      1.741796
  H      -9.962163      3.543259      2.432837
  H      -6.536347      1.591599      7.259704
  H      -9.874194     -1.014242      4.413880
  N      -2.111320      1.841039      3.281192
  N      -1.552206      1.865590      2.217330
  H      -0.513123      1.824349      2.226006
89
Coordinates from ORCA-job orca E -6724.003349017035
  N      -2.547684     -0.006171      5.430329
  Mo     -3.320229      1.787922      4.718132
  N      -4.729842      1.904835      6.248454
  C      -4.238140      2.723892      7.357877
  C      -2.776095      2.401532      7.634893
  N      -1.935713      2.282055      6.375877
  C      -0.909885      1.198932      6.565883
  C      -1.600253     -0.158363      6.500141
  C      -1.233382      3.559957      6.012095
  C      -2.229180      4.584243      5.505243
  N      -3.263781      3.851079      4.788118
  H      -0.864103     -0.948571      6.286226
  H      -2.107726     -0.417137      7.443998
  H      -0.194041      1.287287      5.739140
  H      -0.378459      1.356714      7.516023
  H      -2.690652      5.162667      6.321581
  H      -1.734990      5.314743      4.845396
  H      -0.668324      3.925542      6.883168
  H      -0.521357      3.300010      5.219162
  H      -4.815563      2.538193      8.278109
  H      -4.368499      3.789210      7.105416
  H      -2.723853      1.430777      8.141398
  H      -2.311710      3.153045      8.289955
  C      -6.213959      4.474075     -0.246078
  C      -5.500643      3.571101      0.723248
  O      -4.451729      3.914867      1.267686
  C      -6.097467      2.233586      1.034862
  C      -7.301433      1.775105      0.472169
  C      -7.798703      0.516598      0.792405
  C      -7.098659     -0.288716      1.685532
  F      -7.618487     -1.483358      1.988499
  C      -5.894910      0.136487      2.284315
  C      -5.149897     -0.729783      3.229298
  O      -5.321750     -1.934449      3.347248
  N      -4.157811     -0.077456      3.994005
  C      -3.392952     -0.808630      4.824090
  C      -5.420763      1.397453      1.925621
  C      -7.110672     10.006939     -1.340298
  C      -7.129667      8.803660     -0.428885
  O      -7.941511      7.896348     -0.588426
  C      -6.114561      8.726176      0.670525
  C      -5.056407      9.642394      0.799445
  C      -4.123217      9.504071      1.822422
  C      -4.240244      8.439927      2.711717
  F      -3.326250      8.356957      3.700243
  C      -5.286191      7.505069      2.623639
  C      -5.476956      6.317640      3.510356
  O      -6.592332      5.833768      3.695765
  N      -4.307895      5.802941      4.077316
  C      -4.277834      4.505067      4.203839
  C      -6.218819      7.685253      1.596909
  C     -12.906858     -0.477332      1.625591
  C     -11.816126     -0.813044      2.616722
  O     -11.718815     -1.936820      3.096750
  C     -10.853583      0.267240      3.011613
  C     -10.893117      1.558926      2.457398
  C      -9.966059      2.522507      2.842456
  C      -8.990572      2.185462      3.774745
  F      -8.113644      3.146795      4.132329
  C      -8.920696      0.913035      4.361492
  C      -7.912480      0.524271      5.395887
  O      -8.169264     -0.313433      6.259475
  N      -6.652969      1.094505      5.246572
  C      -6.024177      1.519116      6.298917
  C      -9.877891     -0.028049      3.970102
  H      -7.220849      4.726636      0.120961
  H      -5.641401      5.397734     -0.375000
  H      -6.342656      3.976461     -1.219249
  H      -7.860918      2.404762     -0.219742
  H      -8.736177      0.148872      0.376221
  H      -3.498826     -1.892131      4.963926
  H      -4.461158      1.760294      2.307751
  H      -7.192914     10.939146     -0.761601
  H      -6.160244     10.056093     -1.894371
  H      -7.939710      9.936880     -2.051962
  H      -4.951173     10.471051      0.098751
  H      -3.302469     10.210668      1.947341
  H      -5.087650      3.869859      3.800329
  H      -7.049233      6.983575      1.514324
  H     -13.524445     -1.365662      1.458319
  H     -12.476123     -0.145395      0.668331
  H     -13.537496      0.344426      1.997760
  H     -11.654095      1.822390      1.722674
  H      -9.985734      3.534369      2.436539
  H      -6.537227      1.622514      7.270930
  H      -9.853554     -1.023993      4.414218
  N      -2.126745      1.831280      3.275361
  N      -1.571950      1.849629      2.209163
  H      -0.533510      1.804368      2.213420
89
Coordinates from ORCA-job orca E -6724.003426617594
  N      -2.540933     -0.005329      5.437636
  Mo     -3.320714      1.784392      4.723892
  N      -4.722845      1.905419      6.260502
  C      -4.226997      2.725239      7.367387
  C      -2.762722      2.405575      7.636655
  N      -1.928043      2.285042      6.373400
  C      -0.898988      1.204290      6.561538
  C      -1.587433     -0.154415      6.502629
  C      -1.228706      3.562970      6.003824
  C      -2.228355      4.584693      5.499470
  N      -3.266252      3.848519      4.789976
  H      -0.851405     -0.944153      6.285903
  H      -2.089371     -0.412200      7.449775
  H      -0.187322      1.291690      5.731086
  H      -0.363452      1.365962      7.508796
  H      -2.686404      5.165026      6.316368
  H      -1.738195      5.313971      4.835238
  H      -0.659808      3.930860      6.871459
  H      -0.520281      3.301790      5.208026
  H      -4.799145      2.538443      8.290736
  H      -4.360446      3.790604      7.115960
  H      -2.705757      1.435900      8.144763
  H      -2.296013      3.159185      8.287733
  C      -6.297090      4.447834     -0.207691
  C      -5.557174      3.544706      0.741629
  O      -4.500425      3.893793      1.267363
  C      -6.134361      2.198491      1.052536
  C      -7.332563      1.723886      0.491449
  C      -7.809907      0.457304      0.808782
  C      -7.097100     -0.339369      1.699794
  F      -7.597697     -1.543007      1.999078
  C      -5.899664      0.102652      2.299115
  C      -5.144127     -0.752149      3.246291
  O      -5.303662     -1.957839      3.369775
  N      -4.156853     -0.087261      4.007517
  C      -3.384830     -0.812263      4.836167
  C      -5.444666      1.370638      1.940956
  C      -7.126129      9.995645     -1.330924
  C      -7.141047      8.795994     -0.414692
  O      -7.957894      7.891025     -0.562647
  C      -6.119462      8.721643      0.678883
  C      -5.057743      9.634877      0.795894
  C      -4.117790      9.498153      1.812770
  C      -4.232397      8.439051      2.708507
  F      -3.310974      8.358150      3.690007
  C      -5.282915      7.507991      2.633067
  C      -5.474769      6.326592      3.527984
  O      -6.592971      5.853692      3.725746
  N      -4.305717      5.803497      4.086511
  C      -4.283686      4.505464      4.213062
  C      -6.221525      7.686432      1.611799
  C     -12.867498     -0.428065      1.564885
  C     -11.786974     -0.772075      2.564390
  O     -11.689884     -1.901770      3.030575
  C     -10.825678      0.303398      2.974526
  C     -10.854277      1.597100      2.424540
  C      -9.928419      2.556639      2.823253
  C      -8.966074      2.213119      3.766487
  F      -8.089918      3.168618      4.140747
  C      -8.907499      0.938340      4.349354
  C      -7.910984      0.546592      5.394270
  O      -8.180198     -0.286635      6.258467
  N      -6.648870      1.111699      5.253539
  C      -6.019368      1.527832      6.308854
  C      -9.862536      0.001162      3.943402
  H      -7.298483      4.688097      0.182319
  H      -5.735510      5.377734     -0.341351
  H      -6.441400      3.956437     -1.181950
  H      -7.902453      2.346632     -0.198273
  H      -8.741551      0.075990      0.391948
  H      -3.485114     -1.895928      4.977354
  H      -4.489739      1.746875      2.322020
  H      -7.203449     10.930535     -0.755631
  H      -6.179139     10.041076     -1.891455
  H      -7.959967      9.923857     -2.036754
  H      -4.954133     10.459319      0.090036
  H      -3.293276     10.201942      1.927606
  H      -5.099199      3.874760      3.815557
  H      -7.054450      6.986977      1.537681
  H     -13.482639     -1.315399      1.382717
  H     -12.427706     -0.086193      0.615257
  H     -13.502416      0.389508      1.938846
  H     -11.605886      1.865157      1.681334
  H      -9.939911      3.569958      2.420511
  H      -6.533626      1.633981      7.279929
  H      -9.846682     -0.996454      4.384227
  N      -2.137145      1.826514      3.273309
  N      -1.589404      1.847893      2.203601
  H      -0.551503      1.798165      2.200912
89
Coordinates from ORCA-job orca E -6724.003488160814
  N      -2.533621     -0.002020      5.448239
  Mo     -3.321570      1.780408      4.730315
  N      -4.716348      1.908700      6.272519
  C      -4.216915      2.728389      7.377695
  C      -2.750218      2.412072      7.639133
  N      -1.920731      2.290703      6.371818
  C      -0.887775      1.213113      6.559011
  C      -1.573845     -0.147118      6.508374
  C      -1.224658      3.568616      5.996651
  C      -2.228679      4.586536      5.494005
  N      -3.267659      3.845491      4.790523
  H      -0.838179     -0.936550      6.289399
  H      -2.070315     -0.402877      7.458896
  H      -0.180694      1.299248      5.724551
  H      -0.348123      1.380015      7.503006
  H      -2.685353      5.167949      6.310817
  H      -1.743150      5.315390      4.826069
  H      -0.652477      3.938970      6.861008
  H      -0.519550      3.306377      5.198196
  H      -4.783647      2.538926      8.303891
  H      -4.354157      3.793937      7.128778
  H      -2.688017      1.443614      8.148854
  H      -2.281696      3.168106      8.286091
  C      -6.399111      4.410508     -0.159120
  C      -5.623582      3.507425      0.761507
  O      -4.562673      3.868092      1.270768
  C      -6.173133      2.148729      1.067432
  C      -7.359121      1.650924      0.501056
  C      -7.811381      0.374664      0.814696
  C      -7.087458     -0.407687      1.709484
  F      -7.566503     -1.620509      2.007006
  C      -5.900972      0.056675      2.313781
  C      -5.134630     -0.782596      3.266147
  O      -5.278631     -1.989289      3.397575
  N      -4.155352     -0.100594      4.023918
  C      -3.374428     -0.815698      4.852257
  C      -5.470262      1.333502      1.957114
  C      -7.138524     10.002260     -1.315734
  C      -7.142581      8.798827     -0.404482
  O      -7.962825      7.895461     -0.544743
  C      -6.116854      8.726071      0.685211
  C      -5.053898      9.638396      0.796261
  C      -4.108257      9.499787      1.807485
  C      -4.219326      8.441183      2.704677
  F      -3.289642      8.357496      3.677787
  C      -5.273097      7.513226      2.637327
  C      -5.466578      6.334520      3.535663
  O      -6.587818      5.869550      3.738098
  N      -4.299133      5.803885      4.090374
  C      -4.285471      4.505143      4.215489
  C      -6.215875      7.692472      1.620048
  C     -12.833597     -0.377231      1.509913
  C     -11.756476     -0.730588      2.509640
  O     -11.654614     -1.867100      2.958206
  C     -10.798369      0.341343      2.935707
  C     -10.821655      1.638344      2.394266
  C      -9.898532      2.595411      2.805647
  C      -8.945504      2.245135      3.755602
  F      -8.072393      3.196276      4.147660
  C      -8.893174      0.966209      4.331423
  C      -7.907470      0.573875      5.386985
  O      -8.188207     -0.255955      6.251091
  N      -6.643841      1.135876      5.255171
  C      -6.014957      1.540288      6.315691
  C      -9.844387      0.031866      3.911377
  H      -7.395285      4.625634      0.258161
  H      -5.857072      5.352183     -0.291352
  H      -6.557145      3.932053     -1.137590
  H      -7.939651      2.263238     -0.189088
  H      -8.733108     -0.025482      0.393669
  H      -3.466342     -1.899839      4.996166
  H      -4.524100      1.728460      2.341246
  H      -7.217098     10.934763     -0.736601
  H      -6.195353     10.054085     -1.882041
  H      -7.976596      9.929255     -2.016424
  H      -4.952630     10.462339      0.089498
  H      -3.280889     10.201199      1.916077
  H      -5.104848      3.879165      3.819671
  H      -7.049378      6.993535      1.550020
  H     -13.444414     -1.264344      1.312418
  H     -12.391978     -0.019595      0.566958
  H     -13.472933      0.432416      1.893638
  H     -11.566703      1.910525      1.645983
  H      -9.906391      3.611180      2.409220
  H      -6.532228      1.647207      7.285248
  H      -9.833409     -0.968410      4.346504
  N      -2.149803      1.819260      3.270527
  N      -1.610022      1.844261      2.196993
  H      -0.572638      1.785228      2.186319
89
Coordinates from ORCA-job orca E -6724.003464826724
  N      -2.545668      0.005458      5.441907
  Mo     -3.323987      1.789083      4.725587
  N      -4.729756      1.915921      6.258364
  C      -4.237046      2.731303      7.369920
  C      -2.773075      2.411050      7.642102
  N      -1.933754      2.292260      6.381217
  C      -0.905355      1.210607      6.571576
  C      -1.595300     -0.147201      6.509772
  C      -1.231261      3.570079      6.018261
  C      -2.230153      4.591523      5.512899
  N      -3.260145      3.852751      4.793895
  H      -0.860796     -0.938488      6.294050
  H      -2.101348     -0.404518      7.454753
  H      -0.192167      1.298827      5.742562
  H      -0.372117      1.371791      7.520154
  H      -2.695703      5.167043      6.328806
  H      -1.739488      5.325134      4.854237
  H      -0.664904      3.934265      6.888965
  H      -0.520918      3.310726      5.223448
  H      -4.810907      2.538944      8.291080
  H      -4.371137      3.797824      7.124305
  H      -2.716867      1.440899      8.149249
  H      -2.308449      3.164222      8.295177
  C      -6.346502      4.431168     -0.201139
  C      -5.585687      3.529638      0.733157
  O      -4.523648      3.884006      1.244485
  C      -6.142388      2.172971      1.034260
  C      -7.322735      1.679043      0.453558
  C      -7.782202      0.404308      0.762518
  C      -7.070847     -0.380307      1.665272
  F      -7.557361     -1.591906      1.957209
  C      -5.889321      0.078929      2.282428
  C      -5.133992     -0.765608      3.239215
  O      -5.281700     -1.972250      3.365293
  N      -4.158057     -0.088371      4.005467
  C      -3.383718     -0.805151      4.837497
  C      -5.451446      1.355339      1.931349
  C      -7.106539     10.063018     -1.307461
  C      -7.103417      8.844098     -0.417150
  O      -7.911933      7.933651     -0.579311
  C      -6.084731      8.763616      0.678440
  C      -5.028425      9.681223      0.809266
  C      -4.087707      9.532002      1.823300
  C      -4.196638      8.459071      2.704148
  F      -3.268683      8.365011      3.677572
  C      -5.245437      7.526996      2.618864
  C      -5.441343      6.334564      3.498194
  O      -6.561115      5.850075      3.664047
  N      -4.280841      5.811991      4.076724
  C      -4.265026      4.512057      4.197539
  C      -6.182450      7.716512      1.597649
  C     -12.908114     -0.465610      1.620483
  C     -11.815935     -0.798692      2.610340
  O     -11.712819     -1.923347      3.087897
  C     -10.844838      0.278325      2.992131
  C     -10.872659      1.561340      2.419525
  C      -9.938894      2.524761      2.789959
  C      -8.970471      2.193855      3.731227
  F      -8.086254      3.150721      4.083799
  C      -8.912545      0.928326      4.337721
  C      -7.914312      0.559855      5.390305
  O      -8.184167     -0.257481      6.270188
  N      -6.655005      1.127866      5.241559
  C      -6.025143      1.537652      6.299974
  C      -9.874748     -0.011434      3.957690
  H      -7.346546      4.650658      0.204018
  H      -5.798767      5.369804     -0.331392
  H      -6.494786      3.950111     -1.179773
  H      -7.893015      2.292694     -0.243811
  H      -8.699732      0.005778      0.330837
  H      -3.476509     -1.889709      4.979035
  H      -4.506862      1.746283      2.323012
  H      -7.203041     10.984295     -0.713248
  H      -6.159402     10.136785     -1.864495
  H      -7.937606      9.991042     -2.016613
  H      -4.928342     10.516677      0.115982
  H      -3.264166     10.235570      1.946399
  H      -5.074969      3.885546      3.782410
  H      -7.010652      7.013322      1.512880
  H     -13.526189     -1.354301      1.455607
  H     -12.481550     -0.133398      0.661493
  H     -13.537014      0.356334      1.995479
  H     -11.629908      1.817952      1.678133
  H      -9.950260      3.530299      2.368750
  H      -6.542975      1.641521      7.269757
  H      -9.860512     -1.000493      4.417714
  N      -2.142682      1.827770      3.273310
  N      -1.594555      1.853114      2.204207
  H      -0.557549      1.783499      2.201358
89
Coordinates from ORCA-job orca E -6724.003534935067
  N      -2.536339      0.003801      5.449143
  Mo     -3.324247      1.783281      4.730854
  N      -4.719534      1.915642      6.271598
  C      -4.220402      2.731018      7.379852
  C      -2.754013      2.413215      7.641691
  N      -1.923136      2.293864      6.375065
  C      -0.890307      1.216099      6.561428
  C      -1.576675     -0.143399      6.509216
  C      -1.226216      3.571783      6.003375
  C      -2.230007      4.589621      5.501861
  N      -3.264525      3.847925      4.791783
  H      -0.841977     -0.933238      6.289476
  H      -2.074083     -0.399432      7.459039
  H      -0.183563      1.303389      5.726848
  H      -0.350573      1.382042      7.505439
  H      -2.690896      5.166790      6.319255
  H      -1.745277      5.322165      4.837722
  H      -0.654576      3.939828      6.868969
  H      -0.520838      3.311311      5.204553
  H      -4.787909      2.537991      8.304842
  H      -4.357237      3.797345      7.134975
  H      -2.692857      1.443840      8.149594
  H      -2.285822      3.167895      8.290345
  C      -6.426742      4.401000     -0.158275
  C      -5.645051      3.502930      0.761735
  O      -4.579816      3.865556      1.260348
  C      -6.185463      2.140252      1.065824
  C      -7.366471      1.634827      0.495273
  C      -7.811395      0.355764      0.808174
  C      -7.085309     -0.421268      1.705553
  F      -7.559114     -1.636278      2.003949
  C      -5.903054      0.049782      2.312769
  C      -5.133930     -0.786350      3.265227
  O      -5.271854     -1.994062      3.394811
  N      -4.157939     -0.100676      4.023677
  C      -3.375057     -0.811866      4.852706
  C      -5.479380      1.329668      1.957163
  C      -7.110197     10.051678     -1.307987
  C      -7.113921      8.838076     -0.410358
  O      -7.926375      7.930600     -0.568486
  C      -6.091623      8.755466      0.681746
  C      -5.030763      9.668993      0.806576
  C      -4.088302      9.519889      1.819133
  C      -4.199480      8.450458      2.703758
  F      -3.270886      8.356068      3.676992
  C      -5.251891      7.522244      2.624009
  C      -5.449012      6.334857      3.509772
  O      -6.570518      5.860872      3.690952
  N      -4.286532      5.807797      4.079559
  C      -4.273234      4.508058      4.202394
  C      -6.191180      7.711609      1.604631
  C     -12.847781     -0.421857      1.537577
  C     -11.758961     -0.763370      2.528254
  O     -11.649565     -1.895425      2.986484
  C     -10.805527      0.317271      2.943081
  C     -10.839941      1.610048      2.393153
  C      -9.921210      2.575979      2.793009
  C      -8.960435      2.237904      3.739678
  F      -8.091500      3.198093      4.119639
  C      -8.897151      0.962734      4.324798
  C      -7.907492      0.584101      5.381865
  O      -8.184879     -0.242156      6.250955
  N      -6.645296      1.149019      5.245974
  C      -6.017830      1.548209      6.310177
  C      -9.844922      0.020602      3.916405
  H      -7.422890      4.609334      0.261831
  H      -5.890205      5.345306     -0.292248
  H      -6.584161      3.922790     -1.136696
  H      -7.948385      2.242741     -0.197405
  H      -8.728539     -0.051736      0.384085
  H      -3.462560     -1.896642      4.997392
  H      -4.536991      1.730958      2.343876
  H      -7.200377     10.976778     -0.718882
  H      -6.163279     10.116503     -1.866300
  H      -7.942403      9.980862     -2.015956
  H      -4.929385     10.501932      0.110457
  H      -3.262184     10.221176      1.938428
  H      -5.086892      3.882807      3.793719
  H      -7.023025      7.011949      1.524945
  H     -13.455719     -1.313118      1.351425
  H     -12.418061     -0.067348      0.588040
  H     -13.487290      0.386688      1.923720
  H     -11.590700      1.872446      1.647463
  H      -9.938460      3.588947      2.390319
  H      -6.537449      1.649078      7.279271
  H      -9.826112     -0.976377      4.358661
  N      -2.155553      1.820890      3.268328
  N      -1.618071      1.848710      2.193832
  H      -0.581000      1.777939      2.180622
89
Coordinates from ORCA-job orca E -6724.003540404472
  N      -2.537095      0.003210      5.450355
  Mo     -3.326341      1.783250      4.734511
  N      -4.718294      1.915961      6.277721
  C      -4.217062      2.729680      7.385940
  C      -2.750631      2.410558      7.645146
  N      -1.921976      2.292194      6.377160
  C      -0.888972      1.214378      6.560651
  C      -1.575140     -0.144920      6.508172
  C      -1.225940      3.570361      6.005373
  C      -2.230373      4.588613      5.506631
  N      -3.265012      3.847767      4.795788
  H      -0.840789     -0.934382      6.286022
  H      -2.070571     -0.402168      7.458722
  H      -0.183595      1.302471      5.724967
  H      -0.347508      1.379253      7.503875
  H      -2.690841      5.163827      6.325685
  H      -1.747149      5.322786      4.843183
  H      -0.652763      3.937773      6.870260
  H      -0.521910      3.310879      5.205031
  H      -4.783534      2.536196      8.311492
  H      -4.353417      3.796262      7.141924
  H      -2.689610      1.440542      8.151836
  H      -2.280944      3.164134      8.293982
  C      -6.423689      4.394113     -0.167797
  C      -5.638018      3.493506      0.746203
  O      -4.581524      3.862791      1.258197
  C      -6.182552      2.134194      1.058123
  C      -7.367592      1.630531      0.493791
  C      -7.816518      0.354603      0.814182
  C      -7.090503     -0.420511      1.713160
  F      -7.568066     -1.632157      2.019357
  C      -5.904455      0.049157      2.314186
  C      -5.135165     -0.786148      3.266973
  O      -5.275930     -1.993471      3.399154
  N      -4.160078     -0.101009      4.026698
  C      -3.376798     -0.812452      4.855033
  C      -5.476716      1.325643      1.951348
  C      -7.118081     10.056045     -1.302733
  C      -7.118528      8.838286     -0.410648
  O      -7.937954      7.936398     -0.563691
  C      -6.095355      8.753102      0.680456
  C      -5.034018      9.666258      0.806027
  C      -4.091672      9.516313      1.818550
  C      -4.203223      8.446287      2.702242
  F      -3.276003      8.351881      3.677080
  C      -5.255100      7.517550      2.620939
  C      -5.451408      6.329558      3.506009
  O      -6.571773      5.853198      3.686642
  N      -4.288459      5.806024      4.078222
  C      -4.272093      4.506614      4.203236
  C      -6.194876      7.708134      1.602079
  C     -12.838514     -0.418625      1.530551
  C     -11.753919     -0.757633      2.526751
  O     -11.648371     -1.887806      2.990393
  C     -10.801213      0.323718      2.941533
  C     -10.833107      1.615035      2.387785
  C      -9.914255      2.580796      2.787591
  C      -8.955630      2.244465      3.737253
  F      -8.085717      3.205123      4.113775
  C      -8.895427      0.971439      4.326516
  C      -7.907676      0.592173      5.384607
  O      -8.187432     -0.233119      6.253923
  N      -6.643953      1.154888      5.250126
  C      -6.017100      1.550827      6.316155
  C      -9.843216      0.029288      3.918292
  H      -7.421149      4.595897      0.252562
  H      -5.891317      5.341599     -0.295962
  H      -6.578169      3.920967     -1.149183
  H      -7.949284      2.237288     -0.200078
  H      -8.736649     -0.051488      0.395163
  H      -3.462974     -1.897363      4.999487
  H      -4.532596      1.725684      2.334671
  H      -7.202016     10.978486     -0.708580
  H      -6.174833     10.121332     -1.867016
  H      -7.955130      9.990536     -2.005446
  H      -4.932790     10.499973      0.110812
  H      -3.265920     10.217866      1.939208
  H      -5.083728      3.879446      3.793101
  H      -7.027333      7.009029      1.522453
  H     -13.447071     -1.309808      1.345985
  H     -12.404459     -0.069110      0.581099
  H     -13.478310      0.392560      1.910491
  H     -11.581624      1.876542      1.639722
  H      -9.929278      3.592678      2.381871
  H      -6.536859      1.648970      7.285333
  H      -9.826332     -0.966632      4.363095
  N      -2.160792      1.822337      3.269105
  N      -1.627458      1.852130      2.192592
  H      -0.590472      1.779932      2.175340
89
Coordinates from ORCA-job orca E -6724.003571011935
  N      -2.536311      0.005138      5.450022
  Mo     -3.328333      1.784155      4.736128
  N      -4.718065      1.916308      6.280963
  C      -4.216306      2.728339      7.390019
  C      -2.749365      2.409692      7.646997
  N      -1.921946      2.293322      6.377991
  C      -0.887747      1.216330      6.559417
  C      -1.572757     -0.143455      6.506399
  C      -1.227364      3.572398      6.007022
  C      -2.233279      4.590053      5.510518
  N      -3.266750      3.848739      4.798330
  H      -0.838182     -0.932160      6.282301
  H      -2.066786     -0.402153      7.457292
  H      -0.183353      1.305848      5.723044
  H      -0.345402      1.380889      7.502193
  H      -2.694570      5.162916      6.330758
  H      -1.751756      5.326332      4.848199
  H      -0.653527      3.939282      6.871703
  H      -0.524015      3.314535      5.205535
  H      -4.781645      2.532738      8.315829
  H      -4.353708      3.795256      7.148010
  H      -2.687205      1.439128      8.152508
  H      -2.279390      3.162793      8.296185
  C      -6.437623      4.386187     -0.168233
  C      -5.651631      3.490227      0.750081
  O      -4.591956      3.859826      1.255309
  C      -6.189897      2.127759      1.059008
  C      -7.371748      1.619462      0.492255
  C      -7.816291      0.341830      0.811818
  C      -7.088956     -0.430335      1.712232
  F      -7.563085     -1.643362      2.018398
  C      -5.905034      0.043342      2.314385
  C      -5.133608     -0.789509      3.267503
  O      -5.269844     -1.997507      3.398517
  N      -4.160588     -0.101786      4.027679
  C      -3.374900     -0.811769      4.854779
  C      -5.481731      1.321561      1.952446
  C      -7.109446     10.065014     -1.302701
  C      -7.113509      8.847400     -0.410411
  O      -7.929491      7.943425     -0.569422
  C      -6.091001      8.759734      0.681118
  C      -5.030074      9.672969      0.809656
  C      -4.088624      9.520965      1.822644
  C      -4.200652      8.448994      2.703937
  F      -3.273895      8.352684      3.679041
  C      -5.252091      7.520003      2.619639
  C      -5.449607      6.330299      3.502141
  O      -6.569887      5.851753      3.677498
  N      -4.288099      5.807004      4.077694
  C      -4.271718      4.507436      4.202315
  C      -6.190809      7.712583      1.600115
  C     -12.838293     -0.420121      1.532436
  C     -11.753042     -0.757993      2.528297
  O     -11.646900     -1.887744      2.992872
  C     -10.800360      0.323918      2.941553
  C     -10.832521      1.614606      2.386360
  C      -9.913062      2.580714      2.784170
  C      -8.953930      2.245474      3.733681
  F      -8.083512      3.206290      4.108411
  C      -8.893908      0.973354      4.324888
  C      -7.906461      0.595826      5.383747
  O      -8.186585     -0.228475      6.253932
  N      -6.643157      1.159662      5.249972
  C      -6.016887      1.551901      6.317985
  C      -9.841917      0.030684      3.918228
  H      -7.435674      4.587912      0.250765
  H      -5.906466      5.333920     -0.299656
  H      -6.590667      3.909404     -1.148143
  H      -7.954965      2.224282     -0.202021
  H      -8.734428     -0.067701      0.391816
  H      -3.458017     -1.896980      4.998635
  H      -4.540157      1.725453      2.337704
  H      -7.196617     10.987349     -0.708851
  H      -6.163736     10.130889     -1.862839
  H      -7.943374      9.999029     -2.009088
  H      -4.928488     10.508237      0.116371
  H      -3.263093     10.222363      1.945616
  H      -5.081832      3.880243      3.789067
  H      -7.022878      7.013292      1.518214
  H     -13.446852     -1.311574      1.349174
  H     -12.404910     -0.071522      0.582351
  H     -13.477960      0.391360      1.911968
  H     -11.581408      1.875398      1.638316
  H      -9.928113      3.592093      2.377165
  H      -6.537294      1.647080      7.287075
  H      -9.825130     -0.964642      4.364333
  N      -2.166099      1.825277      3.267937
  N      -1.636023      1.858287      2.189955
  H      -0.599420      1.782328      2.169319
89
Coordinates from ORCA-job orca E -6724.003587244884
  N      -2.535843      0.008210      5.447373
  Mo     -3.331826      1.786497      4.737706
  N      -4.720165      1.915382      6.283204
  C      -4.219394      2.724253      7.394843
  C      -2.751924      2.406631      7.650242
  N      -1.924756      2.294579      6.380729
  C      -0.888761      1.218973      6.559246
  C      -1.571473     -0.141728      6.502910
  C      -1.232397      3.575569      6.012785
  C      -2.240200      4.592553      5.519569
  N      -3.270720      3.851247      4.802857
  H      -0.835927     -0.928767      6.276247
  H      -2.064737     -0.403717      7.453299
  H      -0.184614      1.311808      5.723012
  H      -0.346514      1.382128      7.502313
  H      -2.703995      5.160545      6.341785
  H      -1.760741      5.333110      4.860604
  H      -0.658547      3.941157      6.878020
  H      -0.529173      3.321080      5.210084
  H      -4.784234      2.524620      8.320091
  H      -4.358473      3.791714      7.156336
  H      -2.688457      1.434847      8.153270
  H      -2.282650      3.158587      8.301276
  C      -6.444912      4.386308     -0.168663
  C      -5.657551      3.491537      0.749601
  O      -4.596322      3.861160      1.251548
  C      -6.193034      2.127671      1.057225
  C      -7.373731      1.617639      0.489813
  C      -7.816521      0.339314      0.809202
  C      -7.088330     -0.431760      1.709859
  F      -7.561366     -1.645134      2.016506
  C      -5.904930      0.043367      2.311888
  C      -5.131154     -0.789348      3.263150
  O      -5.262439     -1.998435      3.389654
  N      -4.160298     -0.100746      4.025183
  C      -3.371915     -0.809994      4.850159
  C      -5.483643      1.322504      1.950613
  C      -7.090994     10.082960     -1.306132
  C      -7.099004      8.863398     -0.416465
  O      -7.914637      7.960107     -0.580694
  C      -6.078329      8.771289      0.676470
  C      -5.017191      9.683597      0.809952
  C      -4.077667      9.527618      1.824082
  C      -4.191931      8.452920      2.701821
  F      -3.266485      8.353134      3.677867
  C      -5.243668      7.524598      2.612579
  C      -5.444415      6.332021      3.490443
  O      -6.564910      5.850680      3.656769
  N      -4.286410      5.809976      4.074482
  C      -4.270402      4.510234      4.198720
  C      -6.180174      7.721171      1.591662
  C     -12.846908     -0.439276      1.548161
  C     -11.759043     -0.772648      2.542678
  O     -11.649671     -1.901087      3.009684
  C     -10.806436      0.311643      2.949717
  C     -10.842763      1.601064      2.391785
  C      -9.922794      2.569176      2.783495
  C      -8.958990      2.237472      3.729582
  F      -8.088663      3.200626      4.098223
  C      -8.894962      0.966965      4.323755
  C      -7.904566      0.593047      5.380979
  O      -8.181465     -0.231232      6.252286
  N      -6.643107      1.161566      5.246664
  C      -6.018282      1.549035      6.317758
  C      -9.843511      0.022115      3.923033
  H      -7.442948      4.587024      0.250872
  H      -5.914710      5.334479     -0.300927
  H      -6.597896      3.909124     -1.148422
  H      -7.957424      2.221561     -0.204846
  H      -8.733986     -0.071680      0.389184
  H      -3.450418     -1.895785      4.992201
  H      -4.543076      1.727839      2.336302
  H      -7.179496     11.003886     -0.710295
  H      -6.143509     10.149574     -1.863160
  H      -7.922781     10.019172     -2.015259
  H      -4.913804     10.520882      0.119390
  H      -3.251728     10.227859      1.950864
  H      -5.077212      3.883392      3.778432
  H      -7.012186      7.022306      1.505828
  H     -13.455186     -1.331870      1.369690
  H     -12.415773     -0.094187      0.595769
  H     -13.486381      0.373235      1.925797
  H     -11.595060      1.859469      1.646314
  H      -9.940933      3.579673      2.374405
  H      -6.539793      1.637654      7.286815
  H      -9.823957     -0.972070      4.371518
  N      -2.172764      1.833013      3.266598
  N      -1.646840      1.872229      2.186851
  H      -0.610782      1.790177      2.161706
89
Coordinates from ORCA-job orca E -6724.003602562917
  N      -2.533202      0.010604      5.446236
  Mo     -3.337467      1.788090      4.745060
  N      -4.718504      1.912370      6.295889
  C      -4.215881      2.716477      7.409754
  C      -2.747007      2.400042      7.658230
  N      -1.924285      2.294538      6.385281
  C      -0.884939      1.221222      6.556548
  C      -1.564161     -0.140998      6.497367
  C      -1.236492      3.578506      6.019740
  C      -2.248469      4.594438      5.533868
  N      -3.276538      3.853250      4.813444
  H      -0.827627     -0.925300      6.264412
  H      -2.052971     -0.408215      7.448624
  H      -0.183328      1.318854      5.718699
  H      -0.340304      1.382438      7.498597
  H      -2.713530      5.155344      6.360265
  H      -1.773538      5.341143      4.878600
  H      -0.660383      3.942526      6.884180
  H      -0.535523      3.329011      5.213459
  H      -4.777412      2.511475      8.335849
  H      -4.357554      3.784736      7.176344
  H      -2.680204      1.426385      8.157248
  H      -2.276485      3.150051      8.310646
  C      -6.466137      4.373002     -0.171017
  C      -5.675125      3.482952      0.748744
  O      -4.614663      3.857120      1.248916
  C      -6.203964      2.116622      1.056942
  C      -7.382616      1.601001      0.490528
  C      -7.820542      0.321568      0.812209
  C      -7.089150     -0.444990      1.714151
  F      -7.558241     -1.659027      2.024237
  C      -5.906785      0.035433      2.314079
  C      -5.127655     -0.793996      3.263715
  O      -5.251570     -2.004317      3.387124
  N      -4.161110     -0.101854      4.028165
  C      -3.366889     -0.809780      4.848359
  C      -5.490678      1.315754      1.951060
  C      -7.086457     10.093106     -1.305835
  C      -7.098169      8.873272     -0.416462
  O      -7.917243      7.973123     -0.580241
  C      -6.075264      8.776173      0.674061
  C      -5.012103      9.686074      0.807517
  C      -4.071504      9.526645      1.820082
  C      -4.186882      8.450903      2.696384
  F      -3.260427      8.348554      3.671304
  C      -5.240227      7.524308      2.606692
  C      -5.443153      6.330997      3.483045
  O      -6.563475      5.847507      3.643876
  N      -4.287745      5.810734      4.073898
  C      -4.270660      4.511171      4.199901
  C      -6.177580      7.724413      1.587223
  C     -12.837332     -0.434144      1.540804
  C     -11.753327     -0.765586      2.540299
  O     -11.646321     -1.892870      3.010563
  C     -10.800841      0.318967      2.946683
  C     -10.835030      1.607319      2.385826
  C      -9.914331      2.574989      2.776851
  C      -8.951967      2.244508      3.724997
  F      -8.081191      3.207606      4.092042
  C      -8.890260      0.975481      4.322001
  C      -7.902072      0.601735      5.381002
  O      -8.180457     -0.222922      6.251538
  N      -6.640607      1.172194      5.250733
  C      -6.016960      1.547994      6.327257
  C      -9.839585      0.030773      3.921939
  H      -7.465001      4.570967      0.247961
  H      -5.939540      5.322916     -0.305541
  H      -6.617117      3.893048     -1.149846
  H      -7.968748      2.201539     -0.205027
  H      -8.736882     -0.093515      0.393774
  H      -3.437567     -1.896402      4.987485
  H      -4.552568      1.725701      2.337013
  H      -7.170931     11.013951     -0.709264
  H      -6.139310     10.156674     -1.863814
  H      -7.919266     10.032737     -2.014048
  H      -4.908023     10.524071      0.117934
  H      -3.243993     10.224955      1.947147
  H      -5.073815      3.883278      3.773710
  H      -7.011088      7.027303      1.501445
  H     -13.446576     -1.326443      1.363866
  H     -12.401926     -0.094016      0.588543
  H     -13.476789      0.381109      1.912348
  H     -11.585948      1.865406      1.638822
  H      -9.930701      3.584767      2.365712
  H      -6.539523      1.627724      7.296378
  H      -9.821898     -0.962553      4.372418
  N      -2.187844      1.843279      3.265814
  N      -1.672790      1.893194      2.181379
  H      -0.637740      1.803294      2.144783
89
Coordinates from ORCA-job orca E -6724.003611739910
  N      -2.530476      0.012191      5.443453
  Mo     -3.340960      1.789605      4.749152
  N      -4.718786      1.907652      6.302098
  C      -4.216809      2.708755      7.418277
  C      -2.746919      2.394502      7.663448
  N      -1.925994      2.294656      6.388857
  C      -0.883773      1.223511      6.555600
  C      -1.559593     -0.140284      6.492816
  C      -1.241777      3.581326      6.026069
  C      -2.256666      4.596254      5.544594
  N      -3.282362      3.855233      4.820660
  H      -0.821440     -0.921984      6.256266
  H      -2.046421     -0.411819      7.443855
  H      -0.182930      1.325476      5.717631
  H      -0.338839      1.383175      7.497742
  H      -2.723268      5.152026      6.373610
  H      -1.784184      5.347401      4.892663
  H      -0.665201      3.944314      6.890643
  H      -0.541464      3.335881      5.217959
  H      -4.776807      2.499379      8.344312
  H      -4.361009      3.777434      7.188445
  H      -2.677311      1.419487      8.159457
  H      -2.276838      3.143367      8.317516
  C      -6.473060      4.373423     -0.170210
  C      -5.679908      3.483693      0.748078
  O      -4.620529      3.859735      1.249073
  C      -6.207202      2.116892      1.056973
  C      -7.385689      1.599948      0.491675
  C      -7.821905      0.319983      0.813646
  C      -7.088675     -0.446004      1.714620
  F      -7.555897     -1.660696      2.024893
  C      -5.906297      0.035726      2.313384
  C      -5.123678     -0.794006      3.260017
  O      -5.242896     -2.005284      3.378744
  N      -4.159399     -0.101182      4.026792
  C      -3.361505     -0.809296      4.843226
  C      -5.492254      1.316838      1.950650
  C      -7.078358     10.096578     -1.311570
  C      -7.092111      8.876940     -0.421916
  O      -7.914250      7.979306     -0.583930
  C      -6.069168      8.778241      0.668519
  C      -5.004508      9.686311      0.801757
  C      -4.064015      9.525406      1.814220
  C      -4.181221      8.450024      2.690769
  F      -3.254488      8.346345      3.665273
  C      -5.236259      7.525274      2.601392
  C      -5.441832      6.332400      3.477735
  O      -6.562813      5.849458      3.635942
  N      -4.288960      5.812463      4.073557
  C      -4.272411      4.513021      4.200485
  C      -6.173217      7.726783      1.581862
  C     -12.838544     -0.436227      1.543731
  C     -11.754270     -0.767594      2.543030
  O     -11.646372     -1.895145      3.012386
  C     -10.801769      0.317112      2.948939
  C     -10.837723      1.606173      2.389657
  C      -9.916981      2.573803      2.780374
  C      -8.952764      2.242957      3.726632
  F      -8.082525      3.206396      4.093624
  C      -8.889076      0.973174      4.321777
  C      -7.899726      0.598360      5.379260
  O      -8.175829     -0.229593      6.247354
  N      -6.639571      1.173043      5.251295
  C      -6.016973      1.542303      6.330920
  C      -9.838639      0.028358      3.922033
  H      -7.471545      4.570723      0.249968
  H      -5.947338      5.323767     -0.305201
  H      -6.624852      3.893307     -1.148831
  H      -7.972899      2.199746     -0.203616
  H      -8.738145     -0.096047      0.395935
  H      -3.426763     -1.896629      4.979242
  H      -4.554426      1.727671      2.335973
  H      -7.160589     11.017723     -0.715134
  H      -6.131340     10.158086     -1.869979
  H      -7.911676     10.037802     -2.019315
  H      -4.899013     10.523878      0.111863
  H      -3.235121     10.222106      1.941035
  H      -5.073296      3.885157      3.770059
  H      -7.007833      7.030998      1.496062
  H     -13.448315     -1.328335      1.367651
  H     -12.402778     -0.097452      0.591119
  H     -13.477544      0.379836      1.914198
  H     -11.589978      1.864792      1.644196
  H      -9.934640      3.584135      2.370629
  H      -6.540068      1.615081      7.300268
  H      -9.819653     -0.965495      4.371289
  N      -2.196122      1.853112      3.265657
  N      -1.687562      1.911780      2.178682
  H      -0.653096      1.817763      2.134981
89
Coordinates from ORCA-job orca E -6724.003616711141
  N      -2.527252      0.011931      5.442626
  Mo     -3.342420      1.789449      4.753346
  N      -4.717481      1.902699      6.308170
  C      -4.215688      2.702819      7.425095
  C      -2.744990      2.390526      7.667665
  N      -1.925936      2.294115      6.391526
  C      -0.881522      1.224585      6.555162
  C      -1.554872     -0.140431      6.490627
  C      -1.244300      3.582585      6.029846
  C      -2.261258      4.596670      5.550897
  N      -3.285839      3.855501      4.825838
  H      -0.815458     -0.920291      6.251915
  H      -2.040082     -0.414498      7.441754
  H      -0.181443      1.329296      5.716914
  H      -0.336202      1.383551      7.497201
  H      -2.728213      5.149948      6.381414
  H      -1.790021      5.349995      4.900553
  H      -0.667355      3.945309      6.894280
  H      -0.544574      3.339478      5.220523
  H      -4.774281      2.491283      8.351483
  H      -4.361691      3.771574      7.196771
  H      -2.672915      1.414883      8.162103
  H      -2.275026      3.139063      8.322191
  C      -6.478930      4.371286     -0.169001
  C      -5.684652      3.482809      0.749606
  O      -4.626969      3.861297      1.252266
  C      -6.210308      2.115565      1.059251
  C      -7.388463      1.597062      0.494771
  C      -7.822580      0.316365      0.816574
  C      -7.087415     -0.449100      1.716432
  F      -7.552319     -1.664745      2.026345
  C      -5.905454      0.034231      2.314671
  C      -5.120181     -0.795331      3.259423
  O      -5.236556     -2.007065      3.375904
  N      -4.157355     -0.101651      4.027498
  C      -3.356811     -0.810119      4.841066
  C      -5.493695      1.316230      1.952392
  C      -7.082762     10.091798     -1.313808
  C      -7.096032      8.873098     -0.422903
  O      -7.920669      7.977057     -0.581104
  C      -6.071152      8.774471      0.665745
  C      -5.004880      9.681009      0.795759
  C      -4.062677      9.520040      1.806665
  C      -4.179910      8.445987      2.684862
  F      -3.251363      8.342030      3.657569
  C      -5.236716      7.522989      2.598865
  C      -5.442963      6.332032      3.477686
  O      -6.564527      5.850969      3.637941
  N      -4.290699      5.811778      4.073846
  C      -4.274453      4.512567      4.202404
  C      -6.175239      7.724424      1.580838
  C     -12.834581     -0.424007      1.536582
  C     -11.751832     -0.758502      2.536532
  O     -11.646014     -1.886966      3.004130
  C     -10.798292      0.324262      2.945249
  C     -10.831860      1.614303      2.388030
  C      -9.910640      2.580165      2.781735
  C      -8.948260      2.246662      3.728986
  F      -8.077926      3.208536      4.099556
  C      -8.886568      0.975536      4.321586
  C      -7.898558      0.597449      5.379196
  O      -8.175217     -0.233385      6.244273
  N      -6.638249      1.172839      5.254363
  C      -6.015961      1.537974      6.335457
  C      -9.836785      0.032557      3.918963
  H      -7.477246      4.568785      0.251454
  H      -5.953737      5.321757     -0.305052
  H      -6.631087      3.889849     -1.146885
  H      -7.977099      2.196247     -0.199855
  H      -8.738517     -0.100672      0.399208
  H      -3.418569     -1.897932      4.974740
  H      -4.556281      1.728145      2.337433
  H      -7.162464     11.013772     -0.718300
  H      -6.136796     10.151410     -1.874197
  H      -7.917660     10.033365     -2.019707
  H      -4.899453     10.517571      0.104621
  H      -3.232460     10.215621      1.930899
  H      -5.074729      3.884254      3.771572
  H      -7.011282      7.030058      1.497555
  H     -13.445888     -1.314755      1.358931
  H     -12.396922     -0.085281      0.584794
  H     -13.472409      0.393029      1.906869
  H     -11.582779      1.874874      1.641916
  H      -9.926527      3.591241      2.373767
  H      -6.539152      1.608006      7.304975
  H      -9.819304     -0.962129      4.366454
  N      -2.201146      1.858689      3.266665
  N      -1.697548      1.923427      2.177802
  H      -0.663339      1.828603      2.128757
89
Coordinates from ORCA-job orca E -6724.003619548025
  N      -2.524393      0.011567      5.441641
  Mo     -3.342129      1.789353      4.755782
  N      -4.716675      1.898540      6.310783
  C      -4.215800      2.698512      7.428279
  C      -2.744699      2.387809      7.670279
  N      -1.926041      2.293724      6.393638
  C      -0.880250      1.225172      6.555752
  C      -1.551938     -0.140624      6.489573
  C      -1.245804      3.583440      6.033286
  C      -2.263766      4.596983      5.555082
  N      -3.287266      3.855585      4.829076
  H      -0.811462     -0.919297      6.250276
  H      -2.036986     -0.416147      7.440355
  H      -0.180276      1.331818      5.717679
  H      -0.335205      1.383555      7.498044
  H      -2.731294      5.149117      6.386053
  H      -1.792595      5.351309      4.905831
  H      -0.669385      3.945898      6.898166
  H      -0.545820      3.341883      5.223729
  H      -4.774030      2.485730      8.354596
  H      -4.362958      3.767239      7.200598
  H      -2.671097      1.411804      8.163776
  H      -2.275416      3.136308      8.325315
  C      -6.479648      4.371406     -0.169785
  C      -5.685159      3.483597      0.749339
  O      -4.627951      3.863007      1.252287
  C      -6.210526      2.116506      1.059977
  C      -7.389120      1.597756      0.496583
  C      -7.822516      0.316871      0.818516
  C      -7.086148     -0.448713      1.717259
  F      -7.550129     -1.664736      2.027046
  C      -5.903854      0.034842      2.314646
  C      -5.117296     -0.795058      3.258145
  O      -5.232405     -2.006988      3.373211
  N      -4.154880     -0.101249      4.026843
  C      -3.353076     -0.810349      4.838682
  C      -5.492917      1.317134      1.952382
  C      -7.086542     10.085050     -1.316929
  C      -7.098232      8.866851     -0.425393
  O      -7.922348      7.970080     -0.582449
  C      -6.072989      8.769876      0.663029
  C      -5.006776      9.676654      0.791603
  C      -4.064007      9.516751      1.802162
  C      -4.180639      8.443526      2.681470
  F      -3.251376      8.340271      3.653524
  C      -5.237649      7.520665      2.597214
  C      -5.443696      6.330991      3.477869
  O      -6.565550      5.850883      3.639550
  N      -4.291621      5.810956      4.074089
  C      -4.275382      4.511894      4.203841
  C      -6.176694      7.720897      1.579467
  C     -12.834524     -0.413184      1.533316
  C     -11.750822     -0.751825      2.530799
  O     -11.644969     -1.882069      2.994090
  C     -10.796845      0.329181      2.943255
  C     -10.829995      1.621118      2.390488
  C      -9.908819      2.585551      2.787731
  C      -8.946952      2.248630      3.734260
  F      -8.076888      3.209107      4.109024
  C      -8.885448      0.975226      4.322246
  C      -7.897433      0.593442      5.378573
  O      -8.173685     -0.240843      6.240388
  N      -6.637250      1.169493      5.255755
  C      -6.015270      1.533664      6.337082
  C      -9.835611      0.033785      3.916100
  H      -7.477293      4.570461      0.251495
  H      -5.953793      5.321258     -0.307444
  H      -6.633365      3.888684     -1.146732
  H      -7.978792      2.196968     -0.197140
  H      -8.738723     -0.100226      0.401801
  H      -3.413186     -1.898493      4.970456
  H      -4.555178      1.729075      2.336624
  H      -7.167222     11.007385     -0.722098
  H      -6.140647     10.145319     -1.877378
  H      -7.921430     10.025259     -2.022726
  H      -4.901822     10.512686      0.099743
  H      -3.233785     10.212550      1.925110
  H      -5.075152      3.883038      3.772949
  H      -7.012903      7.026602      1.497390
  H     -13.446368     -1.302991      1.352912
  H     -12.397658     -0.071066      0.582368
  H     -13.471605      0.402763      1.907291
  H     -11.580708      1.884077      1.644986
  H      -9.924426      3.598001      2.383246
  H      -6.538459      1.602910      7.306713
  H      -9.818106     -0.962425      4.360171
  N      -2.201862      1.862499      3.268057
  N      -1.700255      1.931024      2.178568
  H      -0.666023      1.837201      2.127291
89
Coordinates from ORCA-job orca E -6724.003621857027
  N      -2.521858      0.011240      5.441247
  Mo     -3.341447      1.788738      4.757112
  N      -4.716530      1.895345      6.311384
  C      -4.216864      2.696231      7.428855
  C      -2.745568      2.387017      7.671462
  N      -1.926568      2.293948      6.394906
  C      -0.879715      1.226244      6.556878
  C      -1.550024     -0.140173      6.489839
  C      -1.247270      3.584454      6.035282
  C      -2.265872      4.597214      5.556566
  N      -3.288242      3.855090      4.829954
  H      -0.808566     -0.918101      6.251166
  H      -2.035663     -0.416133      7.440198
  H      -0.179594      1.334043      5.719087
  H      -0.335223      1.384674      7.499474
  H      -2.734209      5.149122      6.387243
  H      -1.794474      5.351815      4.907775
  H      -0.671752      3.947119      6.900654
  H      -0.546671      3.343739      5.226015
  H      -4.775222      2.483162      8.355029
  H      -4.364850      3.764758      7.200787
  H      -2.670937      1.411075      8.164933
  H      -2.277262      3.136044      8.326575
  C      -6.480829      4.371187     -0.168493
  C      -5.686026      3.483917      0.750903
  O      -4.629112      3.864090      1.253913
  C      -6.210440      2.116469      1.061367
  C      -7.389039      1.597286      0.498220
  C      -7.821322      0.315870      0.819490
  C      -7.083922     -0.449830      1.717261
  F      -7.546798     -1.666470      2.026350
  C      -5.901758      0.034161      2.314556
  C      -5.114432     -0.795811      3.257331
  O      -5.228689     -2.007834      3.371816
  N      -4.152309     -0.101566      4.026164
  C      -3.349896     -0.810697      4.837413
  C      -5.491884      1.316989      1.952925
  C      -7.088760     10.085186     -1.317255
  C      -7.099078      8.866129     -0.426942
  O      -7.922437      7.968724     -0.584623
  C      -6.073465      8.768979      0.661063
  C      -5.007199      9.675740      0.789539
  C      -4.063976      9.515344      1.799581
  C      -4.180191      8.441766      2.678515
  F      -3.250299      8.337732      3.649866
  C      -5.237407      7.519170      2.594578
  C      -5.443450      6.329711      3.475563
  O      -6.565509      5.849818      3.637000
  N      -4.291764      5.809702      4.072188
  C      -4.275802      4.510699      4.202905
  C      -6.176849      7.719737      1.577260
  C     -12.837494     -0.406299      1.533908
  C     -11.752745     -0.747982      2.529140
  O     -11.647651     -1.879134      2.990434
  C     -10.796961      0.331131      2.942461
  C     -10.827776      1.623360      2.390361
  C      -9.905255      2.586229      2.788357
  C      -8.944507      2.247227      3.735202
  F      -8.073120      3.206065      4.111179
  C      -8.885136      0.973271      4.322416
  C      -7.897578      0.589551      5.378521
  O      -8.174521     -0.245694      6.239149
  N      -6.636978      1.164651      5.256524
  C      -6.015263      1.530248      6.337222
  C      -9.836512      0.033535      3.915447
  H      -7.477863      4.571090      0.253862
  H      -5.954671      5.320699     -0.307225
  H      -6.635985      3.887852     -1.144857
  H      -7.979676      2.196600     -0.194584
  H      -8.737415     -0.101561      0.402866
  H      -3.409026     -1.899038      4.968141
  H      -4.554217      1.729271      2.337022
  H      -7.170409     11.006924     -0.721623
  H      -6.142934     10.146952     -1.877666
  H      -7.923603     10.025206     -2.023089
  H      -4.902578     10.512241      0.098189
  H      -3.233697     10.211124      1.922287
  H      -5.075122      3.881470      3.771833
  H      -7.013232      7.025646      1.495377
  H     -13.450815     -1.294960      1.352924
  H     -12.401701     -0.063123      0.582847
  H     -13.472797      0.409908      1.910359
  H     -11.577840      1.887599      1.644652
  H      -9.919045      3.598842      2.384277
  H      -6.538520      1.600827      7.306769
  H      -9.820429     -0.962921      4.359015
  N      -2.201248      1.864334      3.269091
  N      -1.700344      1.935459      2.179495
  H      -0.665996      1.843019      2.127366
89
Coordinates from ORCA-job orca E -6724.003622789569
  N      -2.519750      0.011463      5.440330
  Mo     -3.340328      1.788934      4.758165
  N      -4.716345      1.893286      6.311444
  C      -4.217730      2.694355      7.429349
  C      -2.746418      2.385883      7.672785
  N      -1.926712      2.294051      6.396561
  C      -0.879310      1.226720      6.558201
  C      -1.548779     -0.139986      6.489706
  C      -1.247877      3.585239      6.038360
  C      -2.266741      4.597659      5.559325
  N      -3.287970      3.855175      4.831577
  H      -0.806659     -0.917420      6.251488
  H      -2.035301     -0.416573      7.439445
  H      -0.178954      1.335685      5.720755
  H      -0.335316      1.384617      7.501170
  H      -2.736031      5.149064      6.389797
  H      -1.795126      5.352720      4.911216
  H      -0.673336      3.947591      6.904498
  H      -0.546505      3.345555      5.229459
  H      -4.776486      2.480731      8.355157
  H      -4.366120      3.762853      7.201443
  H      -2.671424      1.409710      8.165753
  H      -2.279010      3.134921      8.328517
  C      -6.480795      4.369694     -0.172158
  C      -5.686129      3.483568      0.748455
  O      -4.628904      3.864174      1.250540
  C      -6.210381      2.116413      1.060339
  C      -7.389720      1.597212      0.498641
  C      -7.822040      0.316136      0.821212
  C      -7.083844     -0.449160      1.718626
  F      -7.546830     -1.665437      2.029082
  C      -5.900827      0.034780      2.314308
  C      -5.112862     -0.795058      3.256583
  O      -5.226513     -2.007160      3.370722
  N      -4.150428     -0.100706      4.025052
  C      -3.347686     -0.810070      4.835739
  C      -5.491012      1.317338      1.951585
  C      -7.089835     10.083809     -1.318486
  C      -7.099110      8.864178     -0.428965
  O      -7.920956      7.965602     -0.587985
  C      -6.073785      8.767473      0.659310
  C      -5.008280      9.675083      0.788465
  C      -4.065245      9.514972      1.798697
  C      -4.180836      8.440974      2.677189
  F      -3.251089      8.337213      3.648720
  C      -5.237316      7.517586      2.592639
  C      -5.442838      6.327797      3.473337
  O      -6.564649      5.846753      3.633421
  N      -4.291376      5.808988      4.071343
  C      -4.274786      4.510017      4.202703
  C      -6.176585      7.717850      1.575081
  C     -12.839315     -0.400495      1.534203
  C     -11.752372     -0.745399      2.525862
  O     -11.645460     -1.878357      2.982330
  C     -10.796831      0.332793      2.942166
  C     -10.828351      1.626658      2.394005
  C      -9.905947      2.588724      2.794379
  C      -8.944760      2.247172      3.739779
  F      -8.073566      3.205247      4.118332
  C      -8.884827      0.971528      4.323348
  C      -7.896713      0.585212      5.377965
  O      -8.173242     -0.252232      6.236577
  N      -6.636179      1.160333      5.256732
  C      -6.015014      1.527431      6.337014
  C      -9.835904      0.032604      3.913938
  H      -7.477150      4.571321      0.251011
  H      -5.953910      5.318473     -0.313070
  H      -6.637543      3.884872     -1.147494
  H      -7.981008      2.196272     -0.193813
  H      -8.738739     -0.101305      0.405940
  H      -3.406531     -1.898556      4.965495
  H      -4.552852      1.729580      2.334470
  H      -7.173073     11.005042     -0.722282
  H      -6.143774     10.147210     -1.878333
  H      -7.924179     10.023213     -2.024864
  H      -4.904091     10.512007      0.097567
  H      -3.235570     10.211394      1.921837
  H      -5.073050      3.880121      3.770554
  H      -7.012403      7.023147      1.492759
  H     -13.452209     -1.288909      1.350634
  H     -12.405864     -0.052780      0.583732
  H     -13.474503      0.413507      1.915624
  H     -11.578899      1.892760      1.649408
  H      -9.920272      3.602492      2.393269
  H      -6.538413      1.598680      7.306453
  H      -9.819148     -0.965113      4.354599
  N      -2.199780      1.866670      3.270266
  N      -1.698907      1.940024      2.180843
  H      -0.664448      1.848889      2.128593
