123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.455872770704
  N      -3.155011      4.107296      5.010827
  Mo     -3.764868      2.940609      3.435257
  N      -4.294588      1.183645      4.508573
  C      -3.153562      0.440282      4.985436
  C      -2.020055      1.387752      5.367223
  N      -1.653297      2.274899      4.259147
  C      -0.915860      3.441333      4.762027
  C      -1.865910      4.315371      5.597505
  C      -0.868688      1.561568      3.245165
  C      -1.493412      1.849942      1.872294
  N      -2.919719      1.662027      1.937574
  H      -1.560804      5.370601      5.531410
  H      -1.845439      4.030735      6.661911
  H      -0.579953      4.015108      3.894456
  H      -0.043275      3.128846      5.351761
  H      -1.024943      1.229203      1.096059
  H      -1.315334      2.899873      1.617958
  H      -0.915490      0.488217      3.442567
  H       0.183520      1.863663      3.266917
  H      -3.404376     -0.131943      5.894285
  H      -2.815901     -0.294183      4.235056
  H      -2.386988      1.993099      6.198679
  H      -1.149440      0.809957      5.710852
  C     -13.053282      4.026501      9.648652
  C     -11.563294      4.150585      9.453089
  O     -10.968445      5.207194      9.459752
  N     -10.955006      2.935529      9.259942
  C      -9.606998      2.664583      9.034605
  C      -9.247495      1.383619      8.608311
  C      -7.925919      1.068809      8.361024
  C      -6.958354      2.035522      8.560608
  F      -5.664646      1.732348      8.277857
  C      -7.278559      3.317136      8.999068
  C      -6.204845      4.324436      9.238619
  O      -5.224537      4.082021      9.906701
  C      -6.378263      5.622317      8.473142
  C      -5.984286      5.202675      7.082363
  C      -6.954010      4.847721      6.134763
  C      -6.552188      4.307131      4.928863
  N      -5.277436      4.109131      4.622531
  C      -4.325697      4.460396      5.525123
  C      -4.648722      5.030607      6.765850
  C      -8.614702      3.621613      9.229597
  C       3.423023     -2.417731      6.868962
  C       2.248444     -2.555663      5.933003
  O       1.407212     -1.692297      5.779064
  N       2.245076     -3.754932      5.270749
  C       1.338342     -4.225858      4.323427
  C       1.670636     -5.365812      3.584683
  C       0.804294     -5.856338      2.626505
  C      -0.387520     -5.199746      2.382917
  F      -1.219069     -5.707120      1.443317
  C      -0.758082     -4.069424      3.110002
  C      -2.013505     -3.314491      2.907982
  O      -2.555334     -2.739142      3.837559
  C      -2.547493     -3.221013      1.488201
  C      -3.336187     -1.948458      1.360487
  C      -4.722677     -1.948862      1.185864
  C      -5.365894     -0.729361      1.204504
  N      -4.766064      0.427966      1.423659
  C      -3.429506      0.456613      1.638143
  C      -2.685973     -0.746158      1.530602
  C       0.115406     -3.608237      4.095336
  C      -8.671823     -6.628536     12.645223
  C      -8.376887     -7.019171     11.218557
  O      -8.316151     -8.165730     10.832890
  N      -8.186896     -5.927307     10.406694
  C      -7.901587     -5.886847      9.045934
  C      -7.791289     -7.034685      8.256543
  C      -7.508237     -6.916044      6.909594
  C      -7.333811     -5.670108      6.337097
  F      -7.060192     -5.635983      5.009696
  C      -7.436980     -4.497377      7.089792
  C      -7.275753     -3.114094      6.584072
  O      -7.398157     -2.162503      7.336988
  C      -6.959575     -2.925250      5.114109
  C      -6.817498     -1.468467      4.780770
  C      -7.953357     -0.687506      4.525932
  C      -7.748393      0.634333      4.206223
  N      -6.566368      1.228441      4.174514
  C      -5.448927      0.520243      4.476970
  C      -5.582150     -0.873411      4.755331
  C      -7.723833     -4.643172      8.450149
  H     -13.511533      3.575457      8.771063
  H     -13.266278      3.403792     10.514695
  H     -13.476019      5.014570      9.804578
  H     -11.563375      2.126742      9.209868
  H     -10.004074      0.627490      8.462483
  H      -7.639501      0.087468      8.016161
  H      -5.698233      6.375079      8.869965
  H      -7.407913      5.969932      8.500244
  H      -8.001691      4.982521      6.348482
  H      -7.286842      4.019931      4.187572
  H      -3.876420      5.270322      7.480389
  H      -8.889091      4.601182      9.583735
  H       4.355099     -2.463886      6.309816
  H       3.362056     -1.462325      7.381749
  H       3.413872     -3.220376      7.603022
  H       3.037523     -4.364873      5.438848
  H       2.607260     -5.871605      3.761940
  H       1.043898     -6.740585      2.058177
  H      -1.715947     -3.244666      0.781321
  H      -3.180951     -4.091130      1.298586
  H      -5.272768     -2.867006      1.056738
  H      -6.438590     -0.663947      1.051236
  H      -1.614430     -0.750323      1.668065
  H      -0.174683     -2.743071      4.668270
  H      -8.815444     -7.526710     13.238683
  H      -7.843966     -6.054864     13.056754
  H      -9.573866     -6.021773     12.688408
  H      -8.249890     -5.017804     10.849313
  H      -7.926069     -8.006439      8.701170
  H      -7.419810     -7.791677      6.286488
  H      -7.761025     -3.377731      4.524533
  H      -6.031723     -3.456753      4.887341
  H      -8.944167     -1.112225      4.556633
  H      -8.586214      1.279175      3.954991
  H      -4.707189     -1.488702      4.903396
  H      -7.802291     -3.735307      9.031644
  N      -3.728576      4.582609      2.079005
  H      -4.047326      5.452089      2.504168
  H      -4.322432      4.434118      1.264359
  H      -2.795826      4.773108      1.715621
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.475048589623
  N      -3.111803      4.163337      4.993600
  Mo     -3.743672      2.973955      3.443748
  N      -4.261740      1.236621      4.550621
  C      -3.119364      0.470853      5.020629
  C      -1.982333      1.411891      5.379592
  N      -1.628809      2.295957      4.246017
  C      -0.877996      3.476577      4.723274
  C      -1.811038      4.365783      5.560075
  C      -0.860849      1.562270      3.213251
  C      -1.499048      1.853764      1.850534
  N      -2.934441      1.685935      1.941104
  H      -1.493081      5.420379      5.481878
  H      -1.778530      4.090767      6.629817
  H      -0.547688      4.035783      3.837504
  H       0.006908      3.165226      5.303267
  H      -1.046865      1.221377      1.066735
  H      -1.297899      2.905837      1.587221
  H      -0.916274      0.485687      3.422279
  H       0.200307      1.854351      3.224593
  H      -3.361039     -0.094821      5.938651
  H      -2.795952     -0.278219      4.270798
  H      -2.329761      2.033090      6.213550
  H      -1.102207      0.834939      5.714783
  C     -13.090617      3.812353      9.382853
  C     -11.592581      4.020511      9.262522
  O     -11.061633      5.123984      9.299038
  N     -10.900427      2.837066      9.107150
  C      -9.520137      2.626707      8.948556
  C      -9.092524      1.351554      8.546254
  C      -7.743252      1.077542      8.363935
  C      -6.817228      2.080683      8.604839
  F      -5.504257      1.817473      8.384287
  C      -7.202136      3.360154      9.013936
  C      -6.171055      4.418027      9.273374
  O      -5.193478      4.213436      9.975513
  C      -6.355429      5.704313      8.471451
  C      -5.953647      5.277350      7.077153
  C      -6.933362      4.900536      6.135429
  C      -6.539898      4.337245      4.929504
  N      -5.253594      4.145617      4.619318
  C      -4.291047      4.523061      5.519278
  C      -4.606289      5.107917      6.756299
  C      -8.565019      3.624714      9.179380
  C       3.451359     -2.443337      6.883080
  C       2.255180     -2.566932      5.958278
  O       1.412709     -1.686745      5.829223
  N       2.226910     -3.768166      5.280225
  C       1.298564     -4.235905      4.336325
  C       1.634228     -5.377286      3.588517
  C       0.760170     -5.877545      2.631798
  C      -0.444560     -5.229520      2.400694
  F      -1.280172     -5.748106      1.464209
  C      -0.822784     -4.101097      3.136676
  C      -2.096628     -3.349777      2.954010
  O      -2.618237     -2.785907      3.907984
  C      -2.667404     -3.227748      1.537943
  C      -3.442278     -1.939900      1.409998
  C      -4.834580     -1.916209      1.258541
  C      -5.462551     -0.674769      1.280991
  N      -4.832725      0.482016      1.474207
  C      -3.483962      0.479324      1.655796
  C      -2.763787     -0.739472      1.555872
  C       0.060482     -3.626563      4.118174
  C      -8.615194     -6.770387     12.686164
  C      -8.357207     -7.139277     11.237487
  O      -8.320303     -8.293483     10.832191
  N      -8.170877     -6.033086     10.431286
  C      -7.913074     -5.966563      9.054954
  C      -7.828783     -7.098815      8.225748
  C      -7.571092     -6.939698      6.870548
  C      -7.397355     -5.672892      6.330384
  F      -7.150005     -5.604122      4.996968
  C      -7.475241     -4.516428      7.121373
  C      -7.311262     -3.101584      6.659277
  O      -7.415713     -2.186974      7.467068
  C      -7.014610     -2.838094      5.186896
  C      -6.857727     -1.373115      4.872171
  C      -7.984529     -0.567105      4.632425
  C      -7.755890      0.762274      4.300666
  N      -6.554883      1.335171      4.245354
  C      -5.449400      0.594589      4.543245
  C      -5.602394     -0.798808      4.827263
  C      -7.735965     -4.704049      8.487103
  H     -13.485026      3.330608      8.478476
  H     -13.319917      3.173596     10.245668
  H     -13.577374      4.782396      9.513668
  H     -11.465892      1.995892      9.032767
  H      -9.823768      0.562990      8.363933
  H      -7.405297      0.097740      8.030149
  H      -5.691376      6.479636      8.871287
  H      -7.398455      6.039451      8.482400
  H      -7.990413      5.029019      6.358333
  H      -7.279439      4.021494      4.194166
  H      -3.822636      5.359497      7.469496
  H      -8.890569      4.607728      9.503202
  H       4.385795     -2.491397      6.308431
  H       3.402155     -1.485255      7.406907
  H       3.452694     -3.257853      7.618988
  H       3.021059     -4.383807      5.433409
  H       2.587568     -5.879127      3.757448
  H       1.005807     -6.767574      2.054890
  H      -1.845125     -3.265048      0.810614
  H      -3.315036     -4.097349      1.353186
  H      -5.407964     -2.835076      1.145722
  H      -6.544656     -0.595898      1.142372
  H      -1.681476     -0.759840      1.683996
  H      -0.235088     -2.755243      4.695069
  H      -8.755924     -7.684653     13.268624
  H      -7.765844     -6.208229     13.095939
  H      -9.515819     -6.147903     12.768044
  H      -8.214051     -5.129029     10.894356
  H      -7.963547     -8.089314      8.647562
  H      -7.502004     -7.804990      6.213280
  H      -7.830467     -3.273412      4.591686
  H      -6.094665     -3.379998      4.923781
  H      -8.994259     -0.975688      4.679314
  H      -8.595160      1.424418      4.058388
  H      -4.727839     -1.435875      4.958191
  H      -7.794280     -3.804333      9.101482
  N      -3.703714      4.629935      2.039600
  H      -4.018586      5.509969      2.462689
  H      -4.312129      4.470284      1.228499
  H      -2.772185      4.817089      1.654238
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.481801076261
  N      -3.093550      4.221246      5.006561
  Mo     -3.733799      3.005727      3.484408
  N      -4.239331      1.292789      4.623350
  C      -3.103901      0.506096      5.088408
  C      -1.964350      1.441556      5.428322
  N      -1.627276      2.318588      4.273441
  C      -0.867372      3.510045      4.725598
  C      -1.786221      4.413728      5.560241
  C      -0.873895      1.564926      3.231563
  C      -1.516517      1.855552      1.874622
  N      -2.956183      1.714095      1.981488
  H      -1.453066      5.464531      5.474477
  H      -1.748018      4.146586      6.633104
  H      -0.540612      4.049777      3.824649
  H       0.025385      3.200589      5.297043
  H      -1.080333      1.209602      1.090364
  H      -1.291527      2.902201      1.598747
  H      -0.941257      0.490943      3.457096
  H       0.192533      1.845047      3.242037
  H      -3.341969     -0.054934      6.010424
  H      -2.796217     -0.253109      4.339964
  H      -2.291404      2.079411      6.259837
  H      -1.074781      0.871087      5.753157
  C     -13.060757      3.586056      8.956756
  C     -11.563650      3.851944      8.950139
  O     -11.081707      4.981688      9.033534
  N     -10.809636      2.702220      8.844797
  C      -9.409917      2.557275      8.785026
  C      -8.898758      1.299906      8.417319
  C      -7.526289      1.083215      8.334011
  C      -6.664690      2.129106      8.638336
  F      -5.330861      1.921751      8.514225
  C      -7.134601      3.396148      9.005906
  C      -6.171177      4.511698      9.298991
  O      -5.212914      4.359390     10.047703
  C      -6.370754      5.781415      8.467377
  C      -5.952517      5.349262      7.078038
  C      -6.929519      4.951832      6.138368
  C      -6.536116      4.365450      4.940304
  N      -5.242221      4.179517      4.635004
  C      -4.281312      4.583703      5.536377
  C      -4.596591      5.181077      6.764456
  C      -8.519522      3.602031      9.072384
  C       3.445831     -2.535814      6.844399
  C       2.231312     -2.641786      5.936980
  O       1.389995     -1.751156      5.834739
  N       2.175316     -3.835102      5.243113
  C       1.220935     -4.278141      4.308895
  C       1.536792     -5.414093      3.538895
  C       0.641758     -5.897033      2.588089
  C      -0.563803     -5.235408      2.389978
  F      -1.420931     -5.732614      1.457527
  C      -0.923629     -4.115332      3.149093
  C      -2.202464     -3.354262      2.999522
  O      -2.696687     -2.799616      3.975950
  C      -2.811916     -3.210009      1.598487
  C      -3.562290     -1.906961      1.481695
  C      -4.956292     -1.849075      1.357562
  C      -5.558414     -0.587598      1.387508
  N      -4.897234      0.559376      1.559067
  C      -3.543271      0.514536      1.709048
  C      -2.851408     -0.717871      1.610609
  C      -0.017411     -3.653859      4.120981
  C      -8.526341     -6.932359     12.718029
  C      -8.289901     -7.243631     11.249633
  O      -8.257710     -8.388182     10.800732
  N      -8.117443     -6.111886     10.476457
  C      -7.878831     -6.004031      9.095699
  C      -7.801586     -7.114085      8.231181
  C      -7.561416     -6.909955      6.875271
  C      -7.399548     -5.622892      6.374018
  F      -7.168626     -5.505848      5.039655
  C      -7.471553     -4.490547      7.201066
  C      -7.315958     -3.055025      6.776939
  O      -7.417063     -2.168035      7.619753
  C      -7.033461     -2.745932      5.310514
  C      -6.873469     -1.279951      5.006946
  C      -7.992810     -0.463215      4.769535
  C      -7.750950      0.865159      4.413647
  N      -6.541845      1.424906      4.333403
  C      -5.448419      0.668272      4.640645
  C      -5.607485     -0.717709      4.944917
  C      -7.713846     -4.722178      8.564825
  H     -13.372325      3.093209      8.022622
  H     -13.335204      2.931130      9.798052
  H     -13.591264      4.539126      9.054021
  H     -11.331110      1.836773      8.731194
  H      -9.583278      0.480102      8.180268
  H      -7.123822      0.117570      8.020284
  H      -5.733536      6.578284      8.874085
  H      -7.423771      6.095383      8.457659
  H      -7.990410      5.074154      6.360550
  H      -7.269318      4.021359      4.210305
  H      -3.812200      5.443102      7.477102
  H      -8.913575      4.576942      9.352539
  H       4.375446     -2.584217      6.255895
  H       3.408701     -1.580804      7.378664
  H       3.458780     -3.359415      7.574775
  H       2.965727     -4.461104      5.374722
  H       2.493186     -5.924279      3.684355
  H       0.871968     -6.782752      1.993218
  H      -2.006373     -3.267011      0.850135
  H      -3.477225     -4.072123      1.424830
  H      -5.555091     -2.756802      1.258759
  H      -6.642703     -0.489664      1.267275
  H      -1.765809     -0.759743      1.727993
  H      -0.295093     -2.782529      4.711997
  H      -8.655517     -7.872371     13.264650
  H      -7.671827     -6.381915     13.141214
  H      -9.428361     -6.313640     12.843700
  H      -8.156272     -5.223321     10.970041
  H      -7.927528     -8.119385      8.627279
  H      -7.496924     -7.755588      6.188023
  H      -7.853873     -3.178673      4.713765
  H      -6.119889     -3.293206      5.024995
  H      -9.010285     -0.858930      4.832154
  H      -8.590833      1.529965      4.171187
  H      -4.734389     -1.361882      5.071335
  H      -7.766805     -3.839390      9.208684
  N      -3.676606      4.675846      2.027981
  H      -3.988967      5.560135      2.445070
  H      -4.291769      4.504897      1.223381
  H      -2.749871      4.859293      1.627237
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.485733881519
  N      -3.088209      4.272354      5.042005
  Mo     -3.728044      3.038701      3.540769
  N      -4.221639      1.345805      4.698496
  C      -3.092949      0.542563      5.155208
  C      -1.950627      1.473504      5.482121
  N      -1.634250      2.348181      4.314409
  C      -0.869435      3.545819      4.749997
  C      -1.777622      4.453967      5.588415
  C      -0.891032      1.583963      3.265247
  C      -1.536482      1.875615      1.913497
  N      -2.976269      1.755642      2.034801
  H      -1.432700      5.501546      5.504338
  H      -1.734914      4.186051      6.661435
  H      -0.548099      4.073180      3.839787
  H       0.030077      3.237362      5.311827
  H      -1.114469      1.220421      1.128814
  H      -1.295179      2.916128      1.627418
  H      -0.967350      0.513103      3.501812
  H       0.177896      1.855497      3.279206
  H      -3.327664     -0.019908      6.076450
  H      -2.799677     -0.219209      4.403513
  H      -2.259723      2.120759      6.313276
  H      -1.050570      0.911603      5.791893
  C     -12.949844      3.213854      8.470395
  C     -11.474476      3.560913      8.591423
  O     -11.069568      4.718223      8.724919
  N     -10.646804      2.462010      8.540306
  C      -9.239089      2.404620      8.592973
  C      -8.626790      1.182464      8.262426
  C      -7.241904      1.046141      8.290477
  C      -6.471512      2.140169      8.668002
  F      -5.122644      2.010134      8.654953
  C      -7.043924      3.377989      8.993435
  C      -6.173837      4.556170      9.331332
  O      -5.243224      4.464675     10.125787
  C      -6.403934      5.811885      8.484123
  C      -5.965990      5.388415      7.099759
  C      -6.933176      4.980744      6.155906
  C      -6.534139      4.384794      4.964109
  N      -5.235380      4.205482      4.667633
  C      -4.283546      4.628051      5.574726
  C      -4.603589      5.226140      6.796899
  C      -8.440570      3.500958      8.949255
  C       3.428370     -2.634599      6.774941
  C       2.197180     -2.714530      5.888262
  O       1.365452     -1.810569      5.814226
  N       2.109745     -3.895856      5.178671
  C       1.130740     -4.309158      4.255188
  C       1.422991     -5.436521      3.462141
  C       0.506847     -5.897612      2.519553
  C      -0.695585     -5.220657      2.356589
  F      -1.576554     -5.695067      1.432417
  C      -1.032654     -4.110289      3.139259
  C      -2.311775     -3.340073      3.026750
  O      -2.776835     -2.792607      4.022570
  C      -2.954702     -3.169574      1.644129
  C      -3.676497     -1.850722      1.549170
  C      -5.069728     -1.755866      1.452176
  C      -5.642455     -0.478623      1.496549
  N      -4.951073      0.653384      1.653747
  C      -3.595801      0.566767      1.773219
  C      -2.933432     -0.677649      1.667996
  C      -0.103893     -3.668408      4.100915
  C      -8.490492     -6.941709     12.781811
  C      -8.274100     -7.230239     11.306315
  O      -8.257109     -8.371283     10.842010
  N      -8.101591     -6.092480     10.545289
  C      -7.876865     -5.971039      9.161971
  C      -7.813979     -7.072433      8.284318
  C      -7.585983     -6.851051      6.927855
  C      -7.423224     -5.557727      6.442739
  F      -7.205244     -5.422340      5.107136
  C      -7.481703     -4.434819      7.283902
  C      -7.323912     -2.991126      6.877917
  O      -7.417574     -2.117208      7.738106
  C      -7.051926     -2.657676      5.418224
  C      -6.885474     -1.192610      5.129736
  C      -7.996025     -0.365008      4.900383
  C      -7.742329      0.959258      4.529697
  N      -6.528211      1.503779      4.426461
  C      -5.445256      0.735388      4.736676
  C      -5.611459     -0.643772      5.053869
  C      -7.711308     -4.683008      8.646879
  H     -13.158306      2.716215      7.509954
  H     -13.260226      2.532959      9.278474
  H     -13.536128      4.136840      8.531422
  H     -11.104133      1.567956      8.380297
  H      -9.240483      0.327549      7.962899
  H      -6.764416      0.106748      8.000286
  H      -5.802176      6.630136      8.902297
  H      -7.466723      6.093856      8.459344
  H      -7.996284      5.095949      6.372592
  H      -7.256708      4.022425      4.233672
  H      -3.823307      5.493046      7.512234
  H      -8.915226      4.450887      9.186268
  H       4.349188     -2.687338      6.172418
  H       3.409517     -1.685236      7.320252
  H       3.447582     -3.466932      7.495767
  H       2.893227     -4.534825      5.287619
  H       2.377827     -5.956204      3.582708
  H       0.717832     -6.776375      1.907486
  H      -2.168707     -3.243129      0.876068
  H      -3.638998     -4.018979      1.478370
  H      -5.693601     -2.647592      1.361945
  H      -6.726422     -0.359526      1.396838
  H      -1.847762     -0.742545      1.771889
  H      -0.360842     -2.802629      4.708759
  H      -8.620248     -7.891053     13.311953
  H      -7.628212     -6.404008     13.206654
  H      -9.385179     -6.317177     12.931956
  H      -8.128882     -5.210143     11.050473
  H      -7.941047     -8.080903      8.671359
  H      -7.532166     -7.687877      6.228816
  H      -7.876254     -3.085208      4.821531
  H      -6.148032     -3.212212      5.114283
  H      -9.018149     -0.746095      4.978095
  H      -8.580713      1.627849      4.292786
  H      -4.743942     -1.295166      5.173499
  H      -7.753726     -3.807937      9.302355
  N      -3.647551      4.729436      2.044808
  H      -3.959834      5.612576      2.462234
  H      -4.266596      4.551139      1.245718
  H      -2.725157      4.912722      1.635236
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.488547595913
  N      -3.096936      4.320933      5.052360
  Mo     -3.712815      3.067488      3.565183
  N      -4.211662      1.392298      4.729719
  C      -3.094494      0.584844      5.204512
  C      -1.954367      1.515755      5.531350
  N      -1.643431      2.382731      4.353656
  C      -0.881291      3.586240      4.781870
  C      -1.792427      4.495828      5.611757
  C      -0.891147      1.607964      3.314198
  C      -1.517691      1.897484      1.956503
  N      -2.957882      1.797030      2.067944
  H      -1.438524      5.541114      5.535567
  H      -1.759879      4.225916      6.684843
  H      -0.555126      4.102681      3.867597
  H       0.017191      3.281706      5.347426
  H      -1.096870      1.232461      1.179747
  H      -1.259505      2.931182      1.662611
  H      -0.978460      0.540406      3.560120
  H       0.178684      1.872822      3.348681
  H      -3.343106      0.028005      6.125520
  H      -2.799114     -0.182148      4.459418
  H      -2.261306      2.173116      6.354708
  H      -1.048256      0.965526      5.842071
  C     -12.836026      2.865591      8.240117
  C     -11.388014      3.290675      8.415557
  O     -11.052418      4.472759      8.525728
  N     -10.503546      2.239086      8.442029
  C      -9.098141      2.259590      8.556523
  C      -8.413594      1.059330      8.302297
  C      -7.028353      0.994395      8.393896
  C      -6.328589      2.139052      8.757115
  F      -4.974572      2.071702      8.804512
  C      -6.974879      3.358593      9.006732
  C      -6.184426      4.595021      9.324704
  O      -5.277664      4.586205     10.151096
  C      -6.469969      5.820825      8.449446
  C      -6.014365      5.406146      7.069899
  C      -6.960458      4.993464      6.110085
  C      -6.540502      4.397677      4.924667
  N      -5.234910      4.224123      4.650159
  C      -4.304737      4.661729      5.573596
  C      -4.645865      5.255249      6.787619
  C      -8.372637      3.408205      8.898666
  C       3.369599     -2.756360      6.752955
  C       2.136889     -2.803198      5.868204
  O       1.319167     -1.885395      5.813308
  N       2.028254     -3.968559      5.138412
  C       1.040533     -4.347761      4.209828
  C       1.319477     -5.462030      3.393933
  C       0.396881     -5.895005      2.444675
  C      -0.797824     -5.201495      2.301234
  F      -1.688138     -5.647738      1.370816
  C      -1.122094     -4.104282      3.106504
  C      -2.395482     -3.323771      3.013968
  O      -2.851115     -2.789780      4.022093
  C      -3.045915     -3.123397      1.640342
  C      -3.736905     -1.788828      1.562878
  C      -5.126228     -1.657440      1.464846
  C      -5.670178     -0.368101      1.519441
  N      -4.953592      0.746376      1.684839
  C      -3.601538      0.621287      1.802690
  C      -2.966237     -0.634019      1.694514
  C      -0.185731     -3.689234      4.073431
  C      -8.537605     -6.851146     12.828428
  C      -8.298682     -7.146320     11.359106
  O      -8.268075     -8.291456     10.905407
  N      -8.123003     -6.015761     10.591670
  C      -7.878381     -5.904954      9.210689
  C      -7.790776     -7.013646      8.345326
  C      -7.543908     -6.800716      6.990620
  C      -7.387449     -5.510408      6.498195
  F      -7.150456     -5.381687      5.164406
  C      -7.470516     -4.380749      7.327462
  C      -7.322727     -2.939704      6.911019
  O      -7.441137     -2.058490      7.761672
  C      -7.029439     -2.614810      5.457083
  C      -6.873110     -1.152624      5.157963
  C      -7.982876     -0.337600      4.895200
  C      -7.730857      0.982119      4.507811
  N      -6.519661      1.532696      4.414764
  C      -5.440242      0.779568      4.763120
  C      -5.601021     -0.594098      5.098749
  C      -7.718371     -4.619558      8.688759
  H     -12.976742      2.326186      7.290482
  H     -13.152658      2.196614      9.055058
  H     -13.466844      3.760216      8.242120
  H     -10.905953      1.316533      8.297744
  H      -8.968007      0.164518      8.008142
  H      -6.503717      0.066518      8.158915
  H      -5.906904      6.667092      8.864367
  H      -7.542661      6.062281      8.421217
  H      -8.027235      5.100943      6.309287
  H      -7.244898      4.023975      4.184013
  H      -3.878155      5.527234      7.513400
  H      -8.904629      4.340381      9.071719
  H       4.289464     -2.812783      6.150319
  H       3.363591     -1.816102      7.313235
  H       3.380255     -3.600214      7.459643
  H       2.801426     -4.621850      5.234440
  H       2.268987     -5.992411      3.501940
  H       0.596485     -6.763193      1.815345
  H      -2.267620     -3.208106      0.866074
  H      -3.747020     -3.957204      1.467000
  H      -5.771941     -2.531353      1.363358
  H      -6.750313     -0.226918      1.416881
  H      -1.883688     -0.721655      1.804662
  H      -0.429540     -2.832323      4.697630
  H      -8.668049     -7.798990     13.360037
  H      -7.686852     -6.304741     13.263990
  H      -9.437295     -6.231493     12.964581
  H      -8.164822     -5.129653     11.088857
  H      -7.913778     -8.018535      8.740871
  H      -7.470547     -7.642068      6.299862
  H      -7.835873     -3.060934      4.849345
  H      -6.118216     -3.166422      5.170547
  H      -9.004159     -0.721304      4.963887
  H      -8.571564      1.637972      4.246894
  H      -4.732687     -1.236347      5.244457
  H      -7.780255     -3.740038      9.335525
  N      -3.584462      4.778162      2.037236
  H      -3.904676      5.657852      2.453294
  H      -4.195342      4.592715      1.234885
  H      -2.659814      4.963066      1.635529
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.490726773462
  N      -3.109892      4.352549      5.089339
  Mo     -3.716338      3.085336      3.616714
  N      -4.219550      1.422795      4.782626
  C      -3.106620      0.612457      5.260716
  C      -1.963580      1.541222      5.584865
  N      -1.663211      2.405849      4.402956
  C      -0.899184      3.610271      4.826527
  C      -1.808878      4.517692      5.658113
  C      -0.905502      1.625958      3.370137
  C      -1.521452      1.915479      2.010066
  N      -2.960502      1.831470      2.120694
  H      -1.447991      5.561241      5.593656
  H      -1.782341      4.239709      6.729214
  H      -0.574948      4.123603      3.910383
  H       0.000837      3.307103      5.390132
  H      -1.106968      1.241431      1.238288
  H      -1.252223      2.943424      1.708711
  H      -1.001768      0.560208      3.618272
  H       0.164767      1.884674      3.417849
  H      -3.360230      0.058278      6.181286
  H      -2.813773     -0.155075      4.515397
  H      -2.265606      2.200001      6.408192
  H      -1.052309      0.996854      5.888032
  C     -12.710480      2.694250      7.835578
  C     -11.292044      3.154873      8.118729
  O     -10.999172      4.343391      8.263586
  N     -10.383854      2.128047      8.196567
  C      -8.991162      2.184064      8.404835
  C      -8.261208      1.005073      8.188516
  C      -6.885253      0.977049      8.367116
  C      -6.238191      2.135498      8.777897
  F      -4.886496      2.101957      8.905097
  C      -6.930956      3.334375      8.993214
  C      -6.202998      4.593734      9.353382
  O      -5.317495      4.611368     10.200842
  C      -6.503932      5.812559      8.476295
  C      -6.046063      5.412274      7.094969
  C      -6.980175      5.013199      6.121381
  C      -6.549814      4.418568      4.938496
  N      -5.242518      4.238367      4.675940
  C      -4.323100      4.675623      5.609655
  C      -4.675989      5.256713      6.824254
  C      -8.319648      3.347292      8.797403
  C       3.317047     -2.849651      6.700767
  C       2.077389     -2.872877      5.826724
  O       1.268082     -1.947706      5.793304
  N       1.952385     -4.024568      5.080559
  C       0.953993     -4.378283      4.154317
  C       1.217443     -5.477705      3.314421
  C       0.282667     -5.885846      2.366991
  C      -0.907623     -5.181257      2.250237
  F      -1.811367     -5.603876      1.321634
  C      -1.216025     -4.097320      3.079032
  C      -2.483365     -3.309169      3.015391
  O      -2.923568     -2.786695      4.036486
  C      -3.150285     -3.083580      1.654934
  C      -3.812484     -1.733846      1.600688
  C      -5.199210     -1.570396      1.517025
  C      -5.716381     -0.272783      1.589030
  N      -4.974949      0.824434      1.752569
  C      -3.625233      0.669383      1.854106
  C      -3.016498     -0.597191      1.736323
  C      -0.267077     -3.708335      4.044094
  C      -8.467158     -6.836537     12.895817
  C      -8.236186     -7.129181     11.425724
  O      -8.205687     -8.273105     10.972569
  N      -8.067789     -5.998304     10.658907
  C      -7.830930     -5.884765      9.277388
  C      -7.740813     -6.991849      8.412074
  C      -7.502109     -6.776643      7.056663
  C      -7.356514     -5.486353      6.564663
  F      -7.127425     -5.355091      5.229265
  C      -7.442278     -4.357214      7.394052
  C      -7.307108     -2.918685      6.977463
  O      -7.428279     -2.036214      7.826528
  C      -7.021019     -2.591996      5.523752
  C      -6.875027     -1.128183      5.225963
  C      -7.986865     -0.319788      4.956747
  C      -7.740318      0.999024      4.567967
  N      -6.531956      1.552736      4.471069
  C      -5.450158      0.809881      4.824751
  C      -5.607025     -0.562111      5.168925
  C      -7.681720     -4.598124      8.756670
  H     -12.768296      2.162432      6.874062
  H     -13.067175      2.007907      8.617841
  H     -13.362669      3.572025      7.800971
  H     -10.749652      1.196735      8.017071
  H      -8.765608      0.097885      7.851199
  H      -6.332942      0.062568      8.154021
  H      -5.951590      6.663552      8.895397
  H      -7.578418      6.043290      8.454280
  H      -8.048254      5.124047      6.308298
  H      -7.246577      4.049734      4.189156
  H      -3.914431      5.522501      7.557670
  H      -8.885833      4.263667      8.937741
  H       4.230956     -2.905156      6.090555
  H       3.323456     -1.918123      7.274464
  H       3.327165     -3.703251      7.394455
  H       2.719660     -4.686812      5.159640
  H       2.163894     -6.015214      3.402903
  H       0.469057     -6.742698      1.719826
  H      -2.387622     -3.177978      0.867220
  H      -3.871177     -3.899895      1.483136
  H      -5.864955     -2.427876      1.413689
  H      -6.794628     -0.110605      1.503472
  H      -1.936223     -0.705936      1.841392
  H      -0.496754     -2.862445      4.686970
  H      -8.592162     -7.785265     13.425993
  H      -7.616287     -6.288772     13.327481
  H      -9.366571     -6.219294     13.038544
  H      -8.110299     -5.112784     11.156806
  H      -7.855926     -7.996602      8.808549
  H      -7.427027     -7.616574      6.365594
  H      -7.824136     -3.043775      4.916464
  H      -6.108599     -3.137838      5.231696
  H      -9.005971     -0.706387      5.023514
  H      -8.583785      1.648648      4.302759
  H      -4.738728     -1.201006      5.319003
  H      -7.746102     -3.720320      9.403999
  N      -3.544682      4.813877      2.073616
  H      -3.867926      5.689031      2.494829
  H      -4.153103      4.627316      1.270893
  H      -2.618108      4.998701      1.678278
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.492698626458
  N      -3.123634      4.385009      5.064811
  Mo     -3.715065      3.086797      3.618098
  N      -4.225660      1.442263      4.795543
  C      -3.112889      0.643051      5.293723
  C      -1.970681      1.578209      5.610823
  N      -1.672831      2.428117      4.418403
  C      -0.912637      3.639988      4.829029
  C      -1.828844      4.551981      5.647728
  C      -0.900246      1.635551      3.407402
  C      -1.498630      1.909906      2.038147
  N      -2.937557      1.837181      2.138253
  H      -1.466346      5.594892      5.585097
  H      -1.813365      4.277602      6.719761
  H      -0.588843      4.143708      3.907773
  H      -0.013062      3.348137      5.399100
  H      -1.083735      1.220960      1.280473
  H      -1.221095      2.930719      1.722360
  H      -1.003135      0.572845      3.664321
  H       0.169318      1.892128      3.469902
  H      -3.373863      0.105038      6.221315
  H      -2.813545     -0.133581      4.560789
  H      -2.277397      2.244070      6.426284
  H      -1.057049      1.042414      5.920114
  C     -12.660904      2.656815      7.754491
  C     -11.251452      3.133476      8.052661
  O     -10.964894      4.326294      8.157921
  N     -10.343824      2.112768      8.191123
  C      -8.956960      2.179999      8.425467
  C      -8.220478      0.995483      8.275938
  C      -6.848153      0.982386      8.478094
  C      -6.210577      2.157209      8.846537
  F      -4.859613      2.133039      8.993332
  C      -6.910348      3.358292      9.002719
  C      -6.199576      4.631343      9.331613
  O      -5.326863      4.688931     10.189031
  C      -6.528698      5.828878      8.437575
  C      -6.078240      5.426596      7.055360
  C      -7.002775      5.030597      6.073447
  C      -6.561711      4.430139      4.896314
  N      -5.253855      4.243803      4.643723
  C      -4.341870      4.689956      5.580534
  C      -4.708200      5.268330      6.792380
  C      -8.294901      3.358831      8.780622
  C       3.275739     -2.897455      6.699511
  C       2.036341     -2.910776      5.825669
  O       1.231150     -1.982868      5.797894
  N       1.908192     -4.057056      5.072732
  C       0.909769     -4.400499      4.143223
  C       1.169785     -5.490742      3.291201
  C       0.232421     -5.886451      2.341791
  C      -0.956261     -5.178552      2.234548
  F      -1.862478     -5.590695      1.304133
  C      -1.260950     -4.102161      3.074884
  C      -2.524474     -3.312064      3.022243
  O      -2.961192     -2.794070      4.047154
  C      -3.195758     -3.076314      1.666082
  C      -3.835896     -1.715236      1.618296
  C      -5.220361     -1.530049      1.535576
  C      -5.718939     -0.227432      1.611470
  N      -4.960746      0.857592      1.772720
  C      -3.613714      0.684373      1.871455
  C      -3.023510     -0.591703      1.756181
  C      -0.309267     -3.727266      4.042352
  C      -8.452283     -6.870587     12.884962
  C      -8.211969     -7.158999     11.415763
  O      -8.173706     -8.300245     10.960577
  N      -8.045048     -6.024464     10.653917
  C      -7.801554     -5.903647      9.274846
  C      -7.697180     -7.006565      8.407275
  C      -7.453150     -6.785766      7.054165
  C      -7.316287     -5.493980      6.566411
  F      -7.081767     -5.358205      5.232211
  C      -7.416032     -4.367244      7.398071
  C      -7.293035     -2.930299      6.986821
  O      -7.427310     -2.050806      7.835440
  C      -7.001761     -2.598087      5.534510
  C      -6.867417     -1.131283      5.234106
  C      -7.983285     -0.334874      4.946344
  C      -7.745282      0.985438      4.561401
  N      -6.541300      1.549857      4.475583
  C      -5.455004      0.823188      4.841901
  C      -5.606226     -0.549936      5.192825
  C      -7.660614     -4.614313      8.759183
  H     -12.693372      2.087760      6.814060
  H     -13.033755      2.000606      8.554115
  H     -13.314689      3.529584      7.669906
  H     -10.703202      1.173912      8.041138
  H      -8.709662      0.070460      7.971359
  H      -6.295339      0.059316      8.314735
  H      -5.981541      6.691278      8.839858
  H      -7.605284      6.048148      8.430422
  H      -8.072086      5.144009      6.249022
  H      -7.253912      4.059222      4.143738
  H      -3.951904      5.537840      7.529437
  H      -8.865480      4.277739      8.874930
  H       4.188636     -2.952940      6.088820
  H       3.286387     -1.969781      7.278777
  H       3.282183     -3.754764      7.387827
  H       2.672483     -4.723089      5.147375
  H       2.115139     -6.030220      3.372436
  H       0.415278     -6.736642      1.685735
  H      -2.442061     -3.181748      0.871951
  H      -3.932433     -3.878506      1.497910
  H      -5.899170     -2.376451      1.431049
  H      -6.794921     -0.049628      1.533461
  H      -1.945580     -0.714787      1.865359
  H      -0.535015     -2.888287      4.694661
  H      -8.576041     -7.820586     13.412472
  H      -7.606517     -6.320249     13.321956
  H      -9.354809     -6.257901     13.023528
  H      -8.095761     -5.140782     11.154122
  H      -7.806081     -8.012951      8.800380
  H      -7.367245     -7.622849      6.361649
  H      -7.796494     -3.055409      4.921373
  H      -6.081796     -3.132236      5.246391
  H      -8.998977     -0.731261      4.999113
  H      -8.591105      1.626710      4.285132
  H      -4.736191     -1.182120      5.356037
  H      -7.736500     -3.739764      9.408684
  N      -3.500940      4.813637      2.055896
  H      -3.831116      5.687098      2.473934
  H      -4.103149      4.618989      1.251402
  H      -2.570190      4.997077      1.671242
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.494667054989
  N      -3.143857      4.409786      5.073118
  Mo     -3.729164      3.088691      3.646434
  N      -4.248124      1.456824      4.829244
  C      -3.134087      0.664264      5.339530
  C      -1.991907      1.601400      5.653755
  N      -1.689615      2.442906      4.456918
  C      -0.931277      3.657712      4.863336
  C      -1.854341      4.572356      5.672316
  C      -0.904368      1.643662      3.460982
  C      -1.487256      1.911865      2.082501
  N      -2.926897      1.849380      2.174363
  H      -1.489745      5.614660      5.615797
  H      -1.852643      4.296595      6.743922
  H      -0.606859      4.158668      3.940686
  H      -0.033355      3.372746      5.439346
  H      -1.073535      1.212239      1.334484
  H      -1.201768      2.928111      1.758825
  H      -1.014499      0.581589      3.717352
  H       0.165225      1.896487      3.535375
  H      -3.399591      0.137309      6.272076
  H      -2.830061     -0.117761      4.614458
  H      -2.304167      2.269125      6.465792
  H      -1.080615      1.065582      5.969328
  C     -12.570364      2.629177      7.510650
  C     -11.177213      3.113918      7.869153
  O     -10.897868      4.307245      7.980238
  N     -10.273886      2.095195      8.054783
  C      -8.899501      2.167869      8.348971
  C      -8.152352      0.985532      8.242649
  C      -6.788292      0.982672      8.499747
  C      -6.169279      2.165325      8.879722
  F      -4.824346      2.150181      9.075884
  C      -6.881736      3.364321      8.998069
  C      -6.203846      4.651944      9.343820
  O      -5.345487      4.731693     10.213615
  C      -6.553273      5.839746      8.442242
  C      -6.110243      5.434850      7.059631
  C      -7.032094      5.050232      6.071896
  C      -6.585107      4.448544      4.897734
  N      -5.278591      4.253260      4.651420
  C      -4.365336      4.699054      5.587898
  C      -4.739993      5.269000      6.802007
  C      -8.257104      3.351894      8.720848
  C       3.236276     -2.949743      6.668596
  C       1.992233     -2.951039      5.800336
  O       1.191077     -2.019514      5.782467
  N       1.856788     -4.092505      5.040326
  C       0.853485     -4.425631      4.111922
  C       1.104355     -5.506196      3.245076
  C       0.158375     -5.887108      2.297932
  C      -1.028999     -5.174704      2.205751
  F      -1.942089     -5.574744      1.277377
  C      -1.324239     -4.105847      3.060278
  C      -2.582350     -3.309006      3.025502
  O      -3.007964     -2.794298      4.057216
  C      -3.266254     -3.060690      1.676993
  C      -3.881870     -1.686766      1.641896
  C      -5.264822     -1.478768      1.571219
  C      -5.742161     -0.169979      1.659597
  N      -4.963125      0.901118      1.817409
  C      -3.617732      0.708273      1.903176
  C      -3.050010     -0.578590      1.778889
  C      -0.364531     -3.748450      4.026439
  C      -8.388750     -6.883427     12.911382
  C      -8.149795     -7.174196     11.441615
  O      -8.107599     -8.314748     10.986878
  N      -7.988783     -6.037764     10.679362
  C      -7.748963     -5.914476      9.300100
  C      -7.637976     -7.016546      8.432329
  C      -7.398504     -6.794881      7.078623
  C      -7.272394     -5.502622      6.589378
  F      -7.041914     -5.367567      5.254504
  C      -7.378731     -4.375386      7.420765
  C      -7.268889     -2.939984      7.008877
  O      -7.407914     -2.057142      7.855192
  C      -6.984513     -2.605886      5.553694
  C      -6.865373     -1.135989      5.262895
  C      -7.989004     -0.349588      4.972936
  C      -7.764200      0.975370      4.599669
  N      -6.565078      1.550877      4.520970
  C      -5.472137      0.833310      4.882175
  C      -5.612947     -0.540851      5.232143
  C      -7.618590     -4.624350      8.783158
  H     -12.556922      2.054842      6.572857
  H     -12.975231      1.976403      8.297488
  H     -13.224317      3.497936      7.391188
  H     -10.622790      1.153956      7.894695
  H      -8.619908      0.052498      7.928600
  H      -6.227330      0.057209      8.368663
  H      -6.009285      6.712572      8.826779
  H      -7.631718      6.049592      8.451054
  H      -8.102049      5.171271      6.239180
  H      -7.277778      4.083570      4.141856
  H      -3.986074      5.536632      7.542841
  H      -8.836258      4.268010      8.785738
  H       4.145227     -3.005414      6.051905
  H       3.255629     -2.026377      7.254707
  H       3.240590     -3.811914      7.350993
  H       2.618449     -4.762469      5.106301
  H       2.048760     -6.049576      3.313355
  H       0.333540     -6.730515      1.630728
  H      -2.527674     -3.177102      0.870626
  H      -4.023207     -3.845867      1.518897
  H      -5.957989     -2.313994      1.469029
  H      -6.816434      0.026906      1.600056
  H      -1.973352     -0.719475      1.882726
  H      -0.583428     -2.917343      4.691093
  H      -8.508595     -7.832282     13.442144
  H      -7.543433     -6.329472     13.344807
  H      -9.293532     -6.273721     13.048887
  H      -8.043035     -5.154197     11.179412
  H      -7.738593     -8.024028      8.825472
  H      -7.307739     -7.631908      6.386391
  H      -7.776693     -3.064188      4.938579
  H      -6.058662     -3.127199      5.261517
  H      -9.000162     -0.757943      5.015883
  H      -8.614164      1.612451      4.326035
  H      -4.738307     -1.167137      5.398358
  H      -7.700144     -3.750322      9.432831
  N      -3.474210      4.811679      2.082299
  H      -3.807875      5.683630      2.500499
  H      -4.070670      4.615793      1.274218
  H      -2.537864      4.992017      1.710311
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.496605893347
  N      -3.155536      4.439400      5.067075
  Mo     -3.739458      3.086051      3.670108
  N      -4.268187      1.472293      4.869115
  C      -3.153066      0.688487      5.397516
  C      -2.010891      1.628998      5.702275
  N      -1.698916      2.453371      4.495259
  C      -0.942309      3.674053      4.889737
  C      -1.870868      4.598824      5.681435
  C      -0.903562      1.639666      3.518574
  C      -1.469112      1.895924      2.128979
  N      -2.909649      1.847943      2.212203
  H      -1.502855      5.639534      5.622716
  H      -1.884655      4.329695      6.754499
  H      -0.616642      4.165864      3.962259
  H      -0.046675      3.398884      5.473723
  H      -1.058371      1.180641      1.394717
  H      -1.171613      2.905157      1.793208
  H      -1.023919      0.579682      3.779607
  H       0.166752      1.886530      3.603032
  H      -3.423586      0.180939      6.339544
  H      -2.844307     -0.105859      4.688041
  H      -2.328240      2.305663      6.505332
  H      -1.104702      1.091995      6.030715
  C     -12.506597      2.672269      7.238654
  C     -11.130382      3.155331      7.662811
  O     -10.846996      4.348527      7.769487
  N     -10.244631      2.132347      7.910491
  C      -8.886084      2.201102      8.271932
  C      -8.140186      1.013482      8.218518
  C      -6.787093      1.011332      8.534706
  C      -6.179151      2.197972      8.919678
  F      -4.843154      2.182560      9.166266
  C      -6.890785      3.401560      8.990841
  C      -6.223484      4.693859      9.343361
  O      -5.380543      4.781982     10.227776
  C      -6.566875      5.878078      8.430877
  C      -6.128852      5.465582      7.048854
  C      -7.051211      5.090930      6.057446
  C      -6.602004      4.479023      4.889205
  N      -5.298011      4.270420      4.649943
  C      -4.379263      4.719030      5.581847
  C      -4.758931      5.287822      6.796456
  C      -8.254660      3.387625      8.656535
  C       3.215605     -2.997904      6.630607
  C       1.961685     -2.990920      5.775018
  O       1.165165     -2.054652      5.765870
  N       1.812810     -4.132078      5.015298
  C       0.798674     -4.458811      4.095460
  C       1.034810     -5.534744      3.218275
  C       0.074573     -5.904823      2.280205
  C      -1.111278     -5.187201      2.205196
  F      -2.036211     -5.578849      1.285301
  C      -1.391670     -4.121188      3.069775
  C      -2.643604     -3.314646      3.054671
  O      -3.049640     -2.795678      4.093023
  C      -3.347878     -3.058356      1.716592
  C      -3.934355     -1.670231      1.688583
  C      -5.314969     -1.435309      1.636886
  C      -5.765782     -0.117391      1.733879
  N      -4.961494      0.937889      1.878209
  C      -3.618794      0.719290      1.943214
  C      -3.078518     -0.579661      1.812890
  C      -0.418516     -3.777026      4.027885
  C      -8.234867     -6.987665     12.915349
  C      -8.026358     -7.259800     11.436290
  O      -7.993588     -8.393750     10.963582
  N      -7.880638     -6.111225     10.687250
  C      -7.670073     -5.967077      9.304952
  C      -7.573727     -7.056551      8.418486
  C      -7.362783     -6.814731      7.063042
  C      -7.250270     -5.514733      6.589437
  F      -7.047229     -5.360480      5.252389
  C      -7.342706     -4.399332      7.439271
  C      -7.245329     -2.958862      7.045465
  O      -7.365605     -2.087310      7.906863
  C      -6.987790     -2.604635      5.587891
  C      -6.875865     -1.130635      5.309688
  C      -8.004495     -0.346850      5.026742
  C      -7.786918      0.982296      4.661910
  N      -6.589366      1.563546      4.582063
  C      -5.491501      0.847423      4.931868
  C      -5.626787     -0.528187      5.280610
  C      -7.553923     -4.669376      8.803125
  H     -12.446378      2.083687      6.311020
  H     -12.955338      2.034164      8.014196
  H     -13.149324      3.542029      7.071454
  H     -10.590131      1.190643      7.744702
  H      -8.594189      0.074913      7.898300
  H      -6.221932      0.083197      8.444564
  H      -6.017225      6.752504      8.804479
  H      -7.644039      6.095047      8.444407
  H      -8.121363      5.222706      6.217591
  H      -7.297188      4.116883      4.133361
  H      -4.006042      5.555274      7.539442
  H      -8.832611      4.306319      8.683837
  H       4.117219     -3.058484      6.002864
  H       3.247995     -2.075174      7.217754
  H       3.220769     -3.860998      7.312541
  H       2.571686     -4.806138      5.072126
  H       1.978086     -6.082915      3.271194
  H       0.237757     -6.745224      1.605267
  H      -2.630346     -3.193103      0.894288
  H      -4.128696     -3.824363      1.579642
  H      -6.025275     -2.257960      1.546012
  H      -6.836546      0.102767      1.697778
  H      -2.003062     -0.741360      1.905753
  H      -0.626813     -2.949957      4.701459
  H      -8.344822     -7.942861     13.437570
  H      -7.379249     -6.439917     13.337344
  H      -9.136801     -6.379202     13.077984
  H      -7.924994     -5.234999     11.201126
  H      -7.663234     -8.070688      8.798104
  H      -7.283634     -7.641783      6.356799
  H      -7.790467     -3.054063      4.979894
  H      -6.063782     -3.117021      5.274524
  H      -9.013875     -0.762081      5.065998
  H      -8.639293      1.620249      4.396598
  H      -4.749465     -1.152633      5.443924
  H      -7.624697     -3.804722      9.467333
  N      -3.442348      4.793202      2.100750
  H      -3.777529      5.666757      2.514446
  H      -4.031924      4.594554      1.288418
  H      -2.499689      4.966746      1.741651
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.498499279398
  N      -3.169042      4.470826      5.076731
  Mo     -3.739232      3.089965      3.700676
  N      -4.281686      1.491989      4.908725
  C      -3.171591      0.714083      5.461796
  C      -2.033463      1.657287      5.766636
  N      -1.703543      2.467995      4.553878
  C      -0.953736      3.694244      4.946140
  C      -1.894073      4.625482      5.715570
  C      -0.893491      1.643574      3.596671
  C      -1.430933      1.895239      2.193242
  N      -2.872226      1.863146      2.257709
  H      -1.522355      5.664884      5.660050
  H      -1.931079      4.360044      6.788961
  H      -0.619059      4.179201      4.017952
  H      -0.064704      3.427189      5.543659
  H      -1.018079      1.168309      1.472112
  H      -1.116796      2.898385      1.853455
  H      -1.027090      0.585077      3.858424
  H       0.176784      1.883833      3.700257
  H      -3.453979      0.222895      6.409376
  H      -2.853835     -0.091296      4.768821
  H      -2.360021      2.343323      6.558224
  H      -1.134411      1.119514      6.113723
  C     -12.403353      2.569104      6.961061
  C     -11.058112      3.077368      7.451830
  O     -10.793213      4.276603      7.549329
  N     -10.176465      2.069859      7.770573
  C      -8.839247      2.162549      8.201723
  C      -8.079021      0.982722      8.210552
  C      -6.741211      1.004862      8.586603
  C      -6.163332      2.209128      8.970729
  F      -4.839042      2.215626      9.270770
  C      -6.892610      3.406877      8.987434
  C      -6.262462      4.719494      9.344414
  O      -5.441275      4.834175     10.246801
  C      -6.615214      5.891785      8.414755
  C      -6.167447      5.477506      7.036492
  C      -7.082664      5.108506      6.036759
  C      -6.621138      4.495728      4.873565
  N      -5.316310      4.284391      4.649142
  C      -4.400962      4.738216      5.583560
  C      -4.794328      5.299671      6.797413
  C      -8.240921      3.364709      8.592357
  C       3.184237     -3.085183      6.572559
  C       1.921083     -3.057746      5.729856
  O       1.135299     -2.111592      5.734633
  N       1.750504     -4.192778      4.964481
  C       0.723147     -4.500766      4.051863
  C       0.939462     -5.569002      3.159541
  C      -0.035723     -5.918363      2.227808
  C      -1.215388     -5.188433      2.173202
  F      -2.153966     -5.561234      1.259061
  C      -1.476077     -4.128851      3.052720
  C      -2.717824     -3.306163      3.059394
  O      -3.102408     -2.787199      4.107082
  C      -3.439177     -3.029602      1.733308
  C      -3.987118     -1.624970      1.717992
  C      -5.362211     -1.352911      1.681457
  C      -5.777719     -0.023549      1.793001
  N      -4.941986      1.009062      1.934363
  C      -3.604698      0.752081      1.981949
  C      -3.099955     -0.559177      1.839016
  C      -0.488740     -3.806895      4.005052
  C      -8.119682     -6.977020     12.951027
  C      -7.930570     -7.250540     11.468985
  O      -7.901486     -8.385342     10.995541
  N      -7.797293     -6.101968     10.716984
  C      -7.606302     -5.958756      9.331241
  C      -7.516297     -7.049308      8.444018
  C      -7.324047     -6.807259      7.085268
  C      -7.223504     -5.506462      6.609064
  F      -7.037609     -5.352092      5.269663
  C      -7.310107     -4.390601      7.459386
  C      -7.222655     -2.949192      7.063485
  O      -7.335966     -2.075722      7.926329
  C      -6.983828     -2.592074      5.603021
  C      -6.880653     -1.117358      5.333575
  C      -8.011639     -0.337829      5.047065
  C      -7.798919      0.995675      4.692134
  N      -6.603143      1.583219      4.621819
  C      -5.504870      0.865947      4.969901
  C      -5.634711     -0.508818      5.315497
  C      -7.502765     -4.661177      8.826145
  H     -12.283585      1.962610      6.050414
  H     -12.887771      1.941417      7.724101
  H     -13.045839      3.427198      6.739535
  H     -10.501059      1.120719      7.604161
  H      -8.505928      0.030696      7.890339
  H      -6.160572      0.082769      8.543531
  H      -6.079598      6.778246      8.780772
  H      -7.695278      6.096646      8.425988
  H      -8.154449      5.242464      6.185167
  H      -7.310574      4.132415      4.112488
  H      -4.048945      5.568657      7.548126
  H      -8.832000      4.275120      8.574129
  H       4.078512     -3.152962      5.934351
  H       3.234405     -2.166247      7.164909
  H       3.185557     -3.952556      7.249729
  H       2.502266     -4.875799      5.008505
  H       1.878120     -6.127273      3.195154
  H       0.111470     -6.752965      1.541326
  H      -2.742518     -3.182728      0.896351
  H      -4.246248     -3.771287      1.612489
  H      -6.094434     -2.156964      1.594011
  H      -6.842460      0.226478      1.775262
  H      -2.027946     -0.749341      1.923156
  H      -0.682266     -2.985558      4.690503
  H      -8.221085     -7.931709     13.476519
  H      -7.258652     -6.427332     13.360364
  H      -9.020857     -6.369719     13.124502
  H      -7.837110     -5.225451     11.230863
  H      -7.595858     -8.064119      8.824842
  H      -7.249779     -7.634659      6.378298
  H      -7.790414     -3.041275      4.999733
  H      -6.059421     -3.098261      5.279992
  H      -9.019070     -0.759663      5.075750
  H      -8.652544      1.633435      4.429291
  H      -4.755379     -1.129540      5.483972
  H      -7.568723     -3.795825      9.490784
  N      -3.390496      4.788350      2.135117
  H      -3.730889      5.661858      2.544546
  H      -3.965149      4.590582      1.312023
  H      -2.439422      4.957798      1.796720
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.500431188068
  N      -3.177474      4.504927      5.093009
  Mo     -3.728106      3.093630      3.738573
  N      -4.290994      1.514338      4.960222
  C      -3.191887      0.743428      5.546474
  C      -2.058442      1.689117      5.854452
  N      -1.703370      2.480254      4.635366
  C      -0.962142      3.712773      5.024571
  C      -1.916218      4.654537      5.762408
  C      -0.878042      1.639485      3.705191
  C      -1.377343      1.883587      2.285085
  N      -2.818572      1.873654      2.320063
  H      -1.537857      5.691462      5.707765
  H      -1.982776      4.397534      6.836383
  H      -0.611809      4.186067      4.096013
  H      -0.083784      3.454759      5.641493
  H      -0.959981      1.141984      1.582037
  H      -1.039552      2.877876      1.941822
  H      -1.030138      0.584373      3.971844
  H       0.191684      1.870536      3.833421
  H      -3.493040      0.271451      6.498572
  H      -2.862436     -0.075879      4.875485
  H      -2.395504      2.389469      6.628813
  H      -1.169193      1.151552      6.227092
  C     -12.313140      2.479441      6.658945
  C     -11.006308      3.016637      7.217772
  O     -10.761907      4.222195      7.301065
  N     -10.134074      2.029421      7.614421
  C      -8.823614      2.149605      8.116790
  C      -8.053345      0.978993      8.193205
  C      -6.735608      1.025962      8.630940
  C      -6.189276      2.246669      9.011367
  F      -4.879645      2.275354      9.366834
  C      -6.932605      3.436646      8.968348
  C      -6.334184      4.763457      9.327571
  O      -5.540830      4.898154     10.252083
  C      -6.675743      5.926018      8.379377
  C      -6.207550      5.508472      7.008629
  C      -7.109337      5.143873      5.995631
  C      -6.630507      4.524627      4.842071
  N      -5.323899      4.307089      4.642014
  C      -4.419111      4.766861      5.583946
  C      -4.831179      5.326934      6.792271
  C      -8.260026      3.367483      8.509887
  C       3.137780     -3.211422      6.503581
  C       1.864843     -3.155524      5.676865
  O       1.094606     -2.196499      5.700471
  N       1.665349     -4.280099      4.903083
  C       0.621782     -4.560666      3.999475
  C       0.812412     -5.619092      3.089190
  C      -0.179346     -5.940365      2.164065
  C      -1.348488     -5.192611      2.133952
  F      -2.303556     -5.538238      1.225681
  C      -1.583781     -4.142158      3.031644
  C      -2.811165     -3.298913      3.063059
  O      -3.172439     -2.783611      4.122014
  C      -3.546698     -2.993455      1.750779
  C      -4.045816     -1.570705      1.752027
  C      -5.411238     -1.250701      1.729473
  C      -5.781019      0.091228      1.858634
  N      -4.907261      1.093080      2.001341
  C      -3.579109      0.785936      2.032575
  C      -3.119675     -0.538190      1.874493
  C      -0.580523     -3.849010      3.977501
  C      -7.937771     -6.992216     12.987152
  C      -7.775383     -7.260573     11.501058
  O      -7.745965     -8.394761     11.023971
  N      -7.666038     -6.110147     10.748768
  C      -7.503466     -5.963825      9.359347
  C      -7.418950     -7.052508      8.468390
  C      -7.254250     -6.805514      7.106493
  C      -7.175140     -5.502495      6.631242
  F      -7.014473     -5.342513      5.289248
  C      -7.257283     -4.389443      7.485374
  C      -7.188406     -2.945608      7.091040
  O      -7.292163     -2.075886      7.959566
  C      -6.972832     -2.581663      5.628903
  C      -6.880764     -1.106119      5.362799
  C      -8.013440     -0.334149      5.065164
  C      -7.806538      1.003159      4.717235
  N      -6.614313      1.600484      4.660226
  C      -5.515740      0.885529      5.014288
  C      -5.638312     -0.488291      5.358863
  C      -7.422428     -4.664676      8.854649
  H     -12.130145      1.852654      5.772681
  H     -12.835796      1.863860      7.406666
  H     -12.950952      3.323322      6.377297
  H     -10.436244      1.072467      7.450732
  H      -8.454387      0.015256      7.874768
  H      -6.140443      0.112767      8.638963
  H      -6.150761      6.817305      8.749034
  H      -7.756933      6.127993      8.374323
  H      -8.182911      5.282303      6.125876
  H      -7.309005      4.158774      4.072372
  H      -4.098004      5.597274      7.554569
  H      -8.860707      4.269055      8.441470
  H       4.023074     -3.288076      5.853682
  H       3.210078     -2.298572      7.103176
  H       3.133231     -4.084754      7.173263
  H       2.406698     -4.975266      4.930488
  H       1.743209     -6.191397      3.104639
  H      -0.052619     -6.767041      1.463794
  H      -2.871533     -3.165894      0.900152
  H      -4.382066     -3.705541      1.643143
  H      -6.170665     -2.029136      1.642223
  H      -6.836381      0.378010      1.858046
  H      -2.054121     -0.765087      1.950149
  H      -0.754439     -3.034228      4.676228
  H      -8.021408     -7.948922     13.512267
  H      -7.072968     -6.436778     13.380904
  H      -8.840257     -6.392353     13.179573
  H      -7.703430     -5.234933     11.265139
  H      -7.480977     -8.069003      8.848002
  H      -7.184390     -7.630713      6.396327
  H      -7.782687     -3.035116      5.033048
  H      -6.047841     -3.080611      5.295650
  H      -9.017768     -0.764344      5.079008
  H      -8.662404      1.637039      4.451805
  H      -4.755966     -1.101620      5.537580
  H      -7.484229     -3.800842      9.522015
  N      -3.321717      4.776982      2.175910
  H      -3.667246      5.652924      2.575584
  H      -3.875592      4.580313      1.338420
  H      -2.360692      4.939695      1.862986
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.502418576614
  N      -3.177899      4.538011      5.109794
  Mo     -3.691976      3.094755      3.771683
  N      -4.282358      1.534139      5.007366
  C      -3.202554      0.772737      5.638997
  C      -2.078259      1.722574      5.959172
  N      -1.688087      2.491705      4.737544
  C      -0.963261      3.732745      5.128579
  C      -1.938807      4.684808      5.821904
  C      -0.841949      1.633066      3.843522
  C      -1.285516      1.867499      2.402858
  N      -2.724304      1.883418      2.391077
  H      -1.553214      5.719137      5.769599
  H      -2.045467      4.439115      6.895250
  H      -0.586823      4.192166      4.203315
  H      -0.102472      3.486472      5.774515
  H      -0.856689      1.109778      1.724533
  H      -0.916830      2.850961      2.060551
  H      -1.017458      0.582566      4.115951
  H       0.225043      1.854434      4.007300
  H      -3.531925      0.320469      6.591693
  H      -2.854593     -0.061617      4.996097
  H      -2.430962      2.439734      6.710280
  H      -1.201996      1.188189      6.366557
  C     -12.273924      2.334994      6.457935
  C     -11.002969      2.915676      7.052987
  O     -10.786723      4.129176      7.105131
  N     -10.131094      1.962473      7.520732
  C      -8.842535      2.125265      8.067010
  C      -8.060078      0.970367      8.213262
  C      -6.760000      1.052155      8.691945
  C      -6.245042      2.294820      9.046513
  F      -4.947888      2.355556      9.440098
  C      -7.005030      3.471250      8.938365
  C      -6.439556      4.814645      9.281591
  O      -5.677976      4.979181     10.227858
  C      -6.765100      5.957956      8.305145
  C      -6.258384      5.535256      6.948874
  C      -7.134834      5.166918      5.915935
  C      -6.626118      4.542156      4.777048
  N      -5.314769      4.325631      4.613895
  C      -4.433973      4.796667      5.571183
  C      -4.876772      5.357114      6.768390
  C      -8.313507      3.364841      8.436168
  C       3.081648     -3.375492      6.417803
  C       1.800458     -3.282367      5.608148
  O       1.051985     -2.306933      5.653649
  N       1.565338     -4.391276      4.823105
  C       0.504577     -4.634156      3.928579
  C       0.664829     -5.680538      2.998311
  C      -0.342824     -5.965559      2.078072
  C      -1.495919     -5.193730      2.074290
  F      -2.468783     -5.503072      1.170771
  C      -1.701335     -4.155404      2.992647
  C      -2.909811     -3.287556      3.049651
  O      -3.248898     -2.781713      4.121470
  C      -3.650936     -2.940562      1.751489
  C      -4.088196     -1.498399      1.774351
  C      -5.437652     -1.116614      1.760575
  C      -5.749130      0.238074      1.912519
  N      -4.829511      1.197821      2.065896
  C      -3.515935      0.825518      2.084229
  C      -3.113966     -0.511089      1.907867
  C      -0.682556     -3.898120      3.933146
  C      -7.761737     -6.957710     13.027464
  C      -7.618353     -7.228524     11.540725
  O      -7.582459     -8.365252     11.068220
  N      -7.533572     -6.082319     10.781248
  C      -7.393250     -5.943108      9.388408
  C      -7.306971     -7.035858      8.502415
  C      -7.164133     -6.793240      7.137054
  C      -7.107803     -5.491749      6.654601
  F      -6.966859     -5.334403      5.309961
  C      -7.192520     -4.376268      7.504106
  C      -7.143473     -2.932332      7.101426
  O      -7.245863     -2.061746      7.969444
  C      -6.944908     -2.571971      5.637283
  C      -6.865271     -1.097561      5.366214
  C      -7.995699     -0.335533      5.041986
  C      -7.791938      1.004803      4.700214
  N      -6.604491      1.613655      4.669084
  C      -5.509551      0.901571      5.042536
  C      -5.626765     -0.469988      5.387285
  C      -7.336001     -4.646018      8.876220
  H     -12.041663      1.683083      5.601880
  H     -12.816714      1.733488      7.202574
  H     -12.914162      3.156401      6.121576
  H     -10.407694      0.994911      7.376335
  H      -8.440040     -0.007505      7.915164
  H      -6.148685      0.152587      8.754523
  H      -6.260146      6.857135      8.682900
  H      -7.848007      6.150008      8.269086
  H      -8.211303      5.303991      6.018642
  H      -7.283126      4.167603      3.993384
  H      -4.165073      5.632636      7.548436
  H      -8.926766      4.252587      8.316871
  H       3.957465     -3.463555      5.756838
  H       3.179782     -2.471063      7.026186
  H       3.067360     -4.255991      7.077645
  H       2.291939     -5.102237      4.831600
  H       1.583618     -6.271420      2.992813
  H      -0.240092     -6.782067      1.362422
  H      -2.994615     -3.131448      0.890350
  H      -4.516335     -3.616600      1.649048
  H      -6.230232     -1.859791      1.666134
  H      -6.790606      0.569826      1.925565
  H      -2.059553     -0.785277      1.978353
  H      -0.832768     -3.090364      4.645622
  H      -7.826360     -7.913873     13.555894
  H      -6.897851     -6.391324     13.407132
  H      -8.667784     -6.367607     13.232331
  H      -7.573871     -5.204963     11.293796
  H      -7.350495     -8.050886      8.887666
  H      -7.093209     -7.620838      6.430068
  H      -7.751614     -3.038673      5.047418
  H      -6.016130     -3.064884      5.304352
  H      -8.995791     -0.774552      5.029734
  H      -8.648099      1.631475      4.419407
  H      -4.743284     -1.073380      5.586419
  H      -7.399061     -3.779186      9.539355
  N      -3.220565      4.759022      2.217367
  H      -3.574451      5.639019      2.600368
  H      -3.741332      4.565174      1.358112
  H      -2.247084      4.914639      1.940926
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.504345952451
  N      -3.193168      4.568763      5.129442
  Mo     -3.673547      3.089593      3.815523
  N      -4.278222      1.549184      5.073935
  C      -3.210217      0.802700      5.738491
  C      -2.094178      1.760978      6.061983
  N      -1.687141      2.508674      4.834736
  C      -0.978812      3.760995      5.216882
  C      -1.972327      4.720585      5.872851
  C      -0.824710      1.633793      3.973889
  C      -1.225094      1.851822      2.518134
  N      -2.659844      1.888349      2.469386
  H      -1.583008      5.753439      5.818443
  H      -2.106990      4.488331      6.945960
  H      -0.585623      4.205160      4.291304
  H      -0.129495      3.531912      5.884220
  H      -0.788136      1.077943      1.863766
  H      -0.832503      2.824384      2.171869
  H      -1.016649      0.588393      4.255334
  H       0.238742      1.850342      4.164528
  H      -3.556980      0.365919      6.692144
  H      -2.847881     -0.042292      5.117566
  H      -2.457970      2.491050      6.794446
  H      -1.223072      1.236557      6.492743
  C     -12.149585      2.236222      6.158478
  C     -10.925961      2.846790      6.817232
  O     -10.734886      4.064385      6.862594
  N     -10.067772      1.917947      7.349671
  C      -8.813765      2.112011      7.961026
  C      -8.024241      0.972817      8.171333
  C      -6.753158      1.083329      8.714365
  C      -6.274645      2.339959      9.068358
  F      -4.999137      2.427095      9.524487
  C      -7.046150      3.500637      8.898899
  C      -6.521097      4.856292      9.242342
  O      -5.798072      5.049718     10.212826
  C      -6.846970      5.982532      8.250208
  C      -6.311888      5.556967      6.906371
  C      -7.166062      5.176163      5.860429
  C      -6.632772      4.543190      4.736745
  N      -5.317310      4.332618      4.601694
  C      -4.459568      4.822178      5.567269
  C      -4.927052      5.387635      6.752580
  C      -8.324343      3.365331      8.332512
  C       3.027640     -3.507696      6.322370
  C       1.736944     -3.380984      5.533991
  O       1.008565     -2.392487      5.603857
  N       1.468704     -4.473923      4.738963
  C       0.391002     -4.683383      3.856795
  C       0.522713     -5.716309      2.907531
  C      -0.500614     -5.969826      1.995814
  C      -1.640219     -5.179857      2.021427
  F      -2.631166     -5.457810      1.126651
  C      -1.817893     -4.155051      2.960110
  C      -3.011109     -3.271949      3.046486
  O      -3.331859     -2.780344      4.131071
  C      -3.760801     -2.889091      1.764287
  C      -4.143126     -1.432479      1.810717
  C      -5.475890     -0.996795      1.812624
  C      -5.735816      0.364234      1.992259
  N      -4.777095      1.284158      2.152411
  C      -3.477639      0.857945      2.148630
  C      -3.127984     -0.487343      1.951003
  C      -0.782780     -3.928673      3.891029
  C      -7.598472     -6.974013     13.071157
  C      -7.479783     -7.237452     11.581866
  O      -7.447181     -8.372463     11.106281
  N      -7.413259     -6.089745     10.824641
  C      -7.297889     -5.946662      9.430150
  C      -7.220469     -7.036478      8.540968
  C      -7.102481     -6.789823      7.174251
  C      -7.061752     -5.487724      6.694304
  F      -6.945144     -5.325601      5.347637
  C      -7.138166     -4.374967      7.547471
  C      -7.102526     -2.930778      7.146593
  O      -7.195193     -2.063495      8.018069
  C      -6.927621     -2.568777      5.680317
  C      -6.856290     -1.093746      5.408211
  C      -7.984793     -0.337416      5.068609
  C      -7.783887      1.004792      4.735215
  N      -6.600333      1.620637      4.720371
  C      -5.506006      0.912378      5.102038
  C      -5.621086     -0.459540      5.445668
  C      -7.256855     -4.647975      8.920968
  H     -11.857993      1.576835      5.327119
  H     -12.724663      1.635211      6.878284
  H     -12.782223      3.041846      5.774078
  H     -10.318246      0.943563      7.203717
  H      -8.376326     -0.013995      7.872286
  H      -6.132506      0.195432      8.828911
  H      -6.363406      6.891115      8.632984
  H      -7.931811      6.157200      8.193322
  H      -8.244763      5.306404      5.942568
  H      -7.271446      4.153792      3.945538
  H      -4.232823      5.673284      7.543856
  H      -8.943713      4.241007      8.164093
  H       3.891822     -3.603835      5.648088
  H       3.150687     -2.612515      6.939311
  H       3.007759     -4.395310      6.971753
  H       2.182162     -5.197832      4.726648
  H       1.431391     -6.320976      2.879541
  H      -0.420143     -6.775277      1.265667
  H      -3.124954     -3.092495      0.891199
  H      -4.650084     -3.533782      1.668364
  H      -6.297023     -1.706855      1.714458
  H      -6.763641      0.732633      2.027764
  H      -2.084799     -0.802183      2.010998
  H      -0.910225     -3.129256      4.617070
  H      -7.649945     -7.932964     13.595277
  H      -6.730975     -6.406103     13.439046
  H      -8.502573     -6.388668     13.295352
  H      -7.448911     -5.213996     11.340185
  H      -7.251670     -8.052133      8.924681
  H      -7.039079     -7.615165      6.464534
  H      -7.737029     -3.042355      5.100448
  H      -5.999969     -3.057488      5.337909
  H      -8.981189     -0.781716      5.035801
  H      -8.640594      1.626370      4.445835
  H      -4.737894     -1.058281      5.653945
  H      -7.313381     -3.783224      9.586541
  N      -3.160871      4.732410      2.256629
  H      -3.522921      5.616879      2.621038
  H      -3.655088      4.535120      1.382733
  H      -2.179335      4.883768      2.007578
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.506312236497
  N      -3.201307      4.591977      5.133150
  Mo     -3.638409      3.074595      3.843176
  N      -4.254158      1.551160      5.124760
  C      -3.196129      0.824342      5.821443
  C      -2.093011      1.796489      6.151577
  N      -1.672832      2.525984      4.919862
  C      -0.985776      3.792453      5.291149
  C      -2.001002      4.755693      5.908223
  C      -0.788836      1.639383      4.094496
  C      -1.143112      1.837479      2.623891
  N      -2.573036      1.888718      2.533343
  H      -1.611259      5.788382      5.851674
  H      -2.162507      4.537370      6.980508
  H      -0.576349      4.221660      4.365599
  H      -0.147972      3.585524      5.980252
  H      -0.693462      1.048917      1.996192
  H      -0.729923      2.800563      2.274583
  H      -0.992089      0.598695      4.383934
  H       0.269080      1.856053      4.313861
  H      -3.558439      0.396422      6.772846
  H      -2.815536     -0.026113      5.219208
  H      -2.473087      2.534122      6.867697
  H      -1.223958      1.287536      6.604168
  C     -12.125483      2.147360      6.056077
  C     -10.928763      2.787932      6.734233
  O     -10.754127      4.007922      6.755700
  N     -10.073150      1.882641      7.307887
  C      -8.833786      2.106308      7.936719
  C      -8.033851      0.982990      8.188746
  C      -6.773307      1.123650      8.748376
  C      -6.316531      2.394570      9.078144
  F      -5.050079      2.510819      9.553576
  C      -7.099559      3.538609      8.866800
  C      -6.603549      4.907810      9.189326
  O      -5.898275      5.135543     10.165571
  C      -6.928464      6.004925      8.167274
  C      -6.362449      5.566574      6.840018
  C      -7.190077      5.163537      5.781316
  C      -6.628566      4.520914      4.677125
  N      -5.308094      4.323215      4.570051
  C      -4.478271      4.837535      5.543510
  C      -4.973621      5.411573      6.714130
  C      -8.366155      3.373900      8.283338
  C       2.988613     -3.622267      6.235649
  C       1.693884     -3.462374      5.460802
  O       0.986214     -2.460981      5.548807
  N       1.398081     -4.540521      4.656695
  C       0.310341     -4.720039      3.780607
  C       0.421615     -5.740622      2.816100
  C      -0.610536     -5.967040      1.907630
  C      -1.738537     -5.162252      1.953660
  F      -2.740723     -5.414778      1.063292
  C      -1.896924     -4.149473      2.909086
  C      -3.078657     -3.256894      3.017593
  O      -3.391050     -2.781249      4.112236
  C      -3.828799     -2.839546      1.746290
  C      -4.159956     -1.371388      1.816628
  C      -5.475486     -0.886489      1.829505
  C      -5.689390      0.475905      2.043978
  N      -4.696884      1.356213      2.221073
  C      -3.410914      0.883828      2.195346
  C      -3.109616     -0.467101      1.970508
  C      -0.851709     -3.949695      3.835477
  C      -7.525698     -6.962782     13.108894
  C      -7.414514     -7.228885     11.619929
  O      -7.386718     -8.364787     11.148358
  N      -7.348986     -6.083292     10.859873
  C      -7.240153     -5.943439      9.464797
  C      -7.168184     -7.035251      8.579115
  C      -7.057504     -6.793148      7.211350
  C      -7.018638     -5.493468      6.727283
  F      -6.910538     -5.336613      5.379037
  C      -7.089283     -4.377502      7.577185
  C      -7.055394     -2.935758      7.171121
  O      -7.142400     -2.064707      8.038999
  C      -6.889552     -2.582619      5.701113
  C      -6.821608     -1.108741      5.421783
  C      -7.946909     -0.360332      5.055193
  C      -7.748808      0.982449      4.729144
  N      -6.570179      1.605742      4.740339
  C      -5.477255      0.905660      5.138757
  C      -5.591580     -0.467060      5.483116
  C      -7.200615     -4.645806      8.952346
  H     -11.803153      1.474214      5.247829
  H     -12.712563      1.553889      6.771995
  H     -12.757028      2.936362      5.637430
  H     -10.305662      0.901958      7.174667
  H      -8.370029     -0.014052      7.907355
  H      -6.143237      0.246273      8.895832
  H      -6.465912      6.927478      8.542552
  H      -8.014246      6.160425      8.088187
  H      -8.271326      5.282827      5.840503
  H      -7.246635      4.111776      3.879744
  H      -4.298274      5.714073      7.515004
  H      -8.993947      4.236938      8.085265
  H       3.844877     -3.727764      5.553219
  H       3.133811     -2.736155      6.860462
  H       2.958094     -4.515976      6.875691
  H       2.098218     -5.276759      4.629546
  H       1.321547     -6.356920      2.773251
  H      -0.545994     -6.762775      1.165859
  H      -3.208251     -3.051010      0.864527
  H      -4.738445     -3.454659      1.651262
  H      -6.321729     -1.564070      1.719793
  H      -6.703536      0.875778      2.099425
  H      -2.078017     -0.818172      2.021390
  H      -0.962633     -3.158688      4.573176
  H      -7.577162     -7.921090     13.633749
  H      -6.655547     -6.396850     13.472738
  H      -8.426735     -6.374894     13.337466
  H      -7.380766     -5.206228     11.373292
  H      -7.198431     -8.049299      8.966531
  H      -6.998982     -7.620806      6.504304
  H      -7.699048     -3.062834      5.127877
  H      -5.962005     -3.070717      5.357716
  H      -8.938660     -0.810819      4.995930
  H      -8.604624      1.598022      4.425269
  H      -4.709530     -1.060970      5.708815
  H      -7.253319     -3.779357      9.615289
  N      -3.096224      4.694355      2.276634
  H      -3.468863      5.583579      2.618289
  H      -3.561530      4.490377      1.388569
  H      -2.107546      4.844253      2.056319
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.508252840462
  N      -3.212231      4.615605      5.135399
  Mo     -3.603847      3.057549      3.872302
  N      -4.224810      1.553461      5.184363
  C      -3.173495      0.849064      5.909367
  C      -2.085352      1.839072      6.240430
  N      -1.659505      2.550707      5.000816
  C      -0.994445      3.833544      5.355237
  C      -2.030980      4.797363      5.936169
  C      -0.752415      1.653997      4.210748
  C      -1.063698      1.825785      2.727417
  N      -2.488654      1.887401      2.598873
  H      -1.643795      5.831039      5.875474
  H      -2.213517      4.593261      7.007921
  H      -0.573009      4.247042      4.427842
  H      -0.165436      3.652564      6.062536
  H      -0.601554      1.021679      2.129147
  H      -0.633478      2.779271      2.370813
  H      -0.962233      0.617845      4.510226
  H       0.299152      1.874826      4.455953
  H      -3.546583      0.428341      6.859593
  H      -2.776351     -0.005355      5.324025
  H      -2.483160      2.582160      6.941343
  H      -1.214153      1.351104      6.711262
  C     -12.072997      2.036221      5.937891
  C     -10.907193      2.712299      6.635585
  O     -10.754243      3.934841      6.635823
  N     -10.053617      1.833045      7.252873
  C      -8.831761      2.088899      7.901968
  C      -8.019061      0.984209      8.196079
  C      -6.772048      1.158617      8.777445
  C      -6.341741      2.443888      9.086906
  F      -5.088262      2.592800      9.587525
  C      -7.137011      3.569128      8.832194
  C      -6.673535      4.955192      9.132806
  O      -5.992029      5.222835     10.116306
  C      -7.009511      6.021988      8.082642
  C      -6.414604      5.571425      6.772620
  C      -7.216027      5.137103      5.705519
  C      -6.626439      4.485113      4.622839
  N      -5.300515      4.306879      4.540495
  C      -4.498698      4.851560      5.518586
  C      -5.021418      5.437477      6.671931
  C      -8.389765      3.371441      8.227649
  C       2.961330     -3.710168      6.127831
  C       1.659580     -3.521514      5.371009
  O       0.971051     -2.508708      5.476429
  N       1.335837     -4.587870      4.562490
  C       0.235722     -4.743477      3.697121
  C       0.325464     -5.754099      2.720301
  C      -0.718391     -5.959068      1.820169
  C      -1.836971     -5.142832      1.888254
  F      -2.852076     -5.376258      1.006967
  C      -1.975378     -4.139632      2.857900
  C      -3.148007     -3.241207      2.990774
  O      -3.452484     -2.783577      4.095761
  C      -3.900046     -2.787978      1.731266
  C      -4.178502     -1.309834      1.827982
  C      -5.475040     -0.775489      1.855889
  C      -5.641963      0.585481      2.108770
  N      -4.615906      1.423194      2.303677
  C      -3.345164      0.906717      2.248497
  C      -3.094222     -0.448268      1.993208
  C      -0.916727     -3.960821      3.774536
  C      -7.495677     -6.960053     13.150942
  C      -7.389746     -7.228719     11.661711
  O      -7.373915     -8.365087     11.192316
  N      -7.314639     -6.083647     10.900796
  C      -7.207816     -5.944515      9.505504
  C      -7.147606     -7.037215      8.621012
  C      -7.039619     -6.797894      7.252630
  C      -6.992195     -5.499622      6.766922
  F      -6.888824     -5.347533      5.417549
  C      -7.050412     -4.380992      7.615697
  C      -7.008329     -2.940950      7.208274
  O      -7.084931     -2.066258      8.073766
  C      -6.850727     -2.593550      5.734717
  C      -6.780910     -1.120413      5.453682
  C      -7.904420     -0.376819      5.068355
  C      -7.709827      0.967456      4.753788
  N      -6.534506      1.594395      4.784790
  C      -5.440994      0.900305      5.190076
  C      -5.555451     -0.473702      5.534525
  C      -7.158864     -4.647087      8.992135
  H     -11.716082      1.352220      5.153613
  H     -12.670142      1.446647      6.648722
  H     -12.705784      2.805202      5.485142
  H     -10.264638      0.846005      7.131410
  H      -8.333958     -0.024321      7.929651
  H      -6.133054      0.292968      8.956687
  H      -6.572666      6.962678      8.444042
  H      -8.096898      6.150869      7.985949
  H      -8.300116      5.238928      5.744976
  H      -7.224118      4.051169      3.822912
  H      -4.364189      5.761504      7.479525
  H      -9.026309      4.219732      7.998740
  H       3.807096     -3.825268      5.433910
  H       3.130074     -2.831724      6.757585
  H       2.923612     -4.608378      6.761185
  H       2.023779     -5.334824      4.520160
  H       1.218419     -6.379432      2.661325
  H      -0.670582     -6.747082      1.068965
  H      -3.297132     -3.005790      0.838962
  H      -4.830081     -3.371823      1.638918
  H      -6.346642     -1.418108      1.734054
  H      -6.641016      1.015788      2.186798
  H      -2.074846     -0.834448      2.029467
  H      -1.009612     -3.176045      4.521672
  H      -7.555959     -7.917828     13.675923
  H      -6.619472     -6.402808     13.513729
  H      -8.390066     -6.362882     13.381699
  H      -7.337456     -5.206006     11.413642
  H      -7.185340     -8.050375      9.010369
  H      -6.990691     -7.627123      6.546632
  H      -7.665240     -3.073010      5.168692
  H      -5.927052     -3.084101      5.384398
  H      -8.892270     -0.831880      4.986194
  H      -8.565038      1.579839      4.441186
  H      -4.674104     -1.065910      5.770582
  H      -7.202831     -3.779848      9.654544
  N      -3.043654      4.650608      2.287644
  H      -3.426648      5.545630      2.602416
  H      -3.481904      4.434601      1.388616
  H      -2.049319      4.799986      2.093369
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.509890375201
  N      -3.217360      4.634118      5.132861
  Mo     -3.575891      3.041195      3.893943
  N      -4.203036      1.556130      5.234423
  C      -3.156147      0.868753      5.980939
  C      -2.080195      1.873041      6.308937
  N      -1.651038      2.568839      5.060072
  C      -0.999636      3.863825      5.398235
  C      -2.050548      4.828432      5.952345
  C      -0.725465      1.662879      4.298822
  C      -1.000358      1.812362      2.805638
  N      -2.421227      1.884432      2.645370
  H      -1.663929      5.862521      5.889794
  H      -2.248949      4.634154      7.023240
  H      -0.570866      4.264139      4.468324
  H      -0.176382      3.702924      6.117520
  H      -0.531382      0.992894      2.234248
  H      -0.553730      2.755762      2.440738
  H      -0.942191      0.629999      4.604427
  H       0.320714      1.885151      4.565903
  H      -3.536767      0.454091      6.930976
  H      -2.747132      0.011403      5.409142
  H      -2.493462      2.620337      6.996794
  H      -1.206719      1.403250      6.793616
  C     -12.050319      1.943216      5.887205
  C     -10.903156      2.651335      6.585838
  O     -10.767228      3.875595      6.564151
  N     -10.044960      1.795203      7.232275
  C      -8.831564      2.079800      7.884693
  C      -8.004974      0.992453      8.208354
  C      -6.765636      1.197473      8.798514
  C      -6.357221      2.494822      9.087321
  F      -5.113578      2.673023      9.602123
  C      -7.163999      3.603991      8.800251
  C      -6.724489      5.005127      9.080429
  O      -6.055082      5.302496     10.063902
  C      -7.066842      6.047868      8.005738
  C      -6.451312      5.582817      6.710822
  C      -7.233229      5.121249      5.639747
  C      -6.622374      4.458441      4.577048
  N      -5.292950      4.295697      4.513048
  C      -4.510924      4.865225      5.492747
  C      -5.054739      5.464549      6.629877
  C      -8.408828      3.375836      8.187061
  C       2.912462     -3.783780      6.083096
  C       1.611252     -3.571118      5.330214
  O       0.931353     -2.554099      5.452282
  N       1.278290     -4.622328      4.505359
  C       0.177203     -4.757364      3.636860
  C       0.264197     -5.749547      2.640891
  C      -0.780384     -5.934660      1.736933
  C      -1.897368     -5.117258      1.820666
  F      -2.912696     -5.332583      0.935163
  C      -2.034391     -4.132333      2.810030
  C      -3.207293     -3.237797      2.959337
  O      -3.522780     -2.810861      4.073665
  C      -3.950385     -2.748346      1.705395
  C      -4.186898     -1.263686      1.826081
  C      -5.468386     -0.692685      1.859203
  C      -5.601609      0.664848      2.145475
  N      -4.551330      1.467986      2.363883
  C      -3.291637      0.921054      2.286707
  C      -3.079057     -0.435522      2.006659
  C      -0.973880     -3.973028      3.729518
  C      -7.466809     -6.961141     13.179494
  C      -7.368954     -7.234219     11.689552
  O      -7.367337     -8.371203     11.221328
  N      -7.283744     -6.089467     10.927522
  C      -7.181103     -5.950891      9.531594
  C      -7.135801     -7.044543      8.647027
  C      -7.031911     -6.806994      7.277683
  C      -6.974329     -5.509149      6.790999
  F      -6.876247     -5.360779      5.440812
  C      -7.017204     -4.388616      7.639573
  C      -6.964655     -2.949610      7.232581
  O      -7.026733     -2.072117      8.097247
  C      -6.817648     -2.603889      5.755982
  C      -6.745019     -1.130952      5.477747
  C      -7.869621     -0.391519      5.082316
  C      -7.681466      0.956593      4.783714
  N      -6.509302      1.587803      4.832437
  C      -5.412666      0.897618      5.235275
  C      -5.524369     -0.478927      5.574001
  C      -7.121307     -4.653957      9.017271
  H     -11.672985      1.249827      5.120376
  H     -12.647187      1.357807      6.602102
  H     -12.689599      2.693349      5.411915
  H     -10.238651      0.802984      7.124364
  H      -8.301253     -0.026889      7.958921
  H      -6.118273      0.342711      8.999098
  H      -6.647010      7.002823      8.350179
  H      -8.154920      6.159652      7.897179
  H      -8.319330      5.209589      5.664494
  H      -7.205619      4.004230      3.777274
  H      -4.410955      5.807095      7.441204
  H      -9.055082      4.210199      7.936285
  H       3.756690     -3.895643      5.386273
  H       3.090601     -2.917306      6.727090
  H       2.866533     -4.691986      6.702000
  H       1.960631     -5.373737      4.450112
  H       1.156212     -6.375769      2.570636
  H      -0.734902     -6.708518      0.970568
  H      -3.356093     -2.967826      0.807464
  H      -4.897080     -3.303792      1.607802
  H      -6.358019     -1.307119      1.719832
  H      -6.589045      1.116830      2.238147
  H      -2.068919     -0.847216      2.033402
  H      -1.063142     -3.201250      4.491123
  H      -7.536725     -7.917385     13.706623
  H      -6.582733     -6.413472     13.538568
  H      -8.353516     -6.352900     13.412221
  H      -7.295435     -5.211404     11.440057
  H      -7.181906     -8.057264      9.037534
  H      -6.994533     -7.637244      6.571758
  H      -7.641858     -3.076997      5.198595
  H      -5.900329     -3.097257      5.392849
  H      -8.853365     -0.852206      4.980894
  H      -8.537255      1.567976      4.469428
  H      -4.641775     -1.070458      5.812187
  H      -7.153841     -3.786163      9.680155
  N      -3.001050      4.609698      2.288829
  H      -3.388700      5.511095      2.580004
  H      -3.419898      4.381466      1.383491
  H      -2.002285      4.755030      2.114892
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.511239130961
  N      -3.221153      4.646707      5.134641
  Mo     -3.567884      3.031225      3.912685
  N      -4.206023      1.560169      5.267262
  C      -3.163460      0.877867      6.026665
  C      -2.092654      1.887010      6.353241
  N      -1.659007      2.572625      5.098130
  C      -1.008851      3.871487      5.427543
  C      -2.063515      4.839402      5.967674
  C      -0.725191      1.659330      4.353336
  C      -0.974233      1.798701      2.853310
  N      -2.391827      1.885759      2.669165
  H      -1.672115      5.872118      5.909219
  H      -2.274771      4.647347      7.036643
  H      -0.576582      4.263929      4.495891
  H      -0.188548      3.717834      6.151970
  H      -0.507244      0.965389      2.300766
  H      -0.509449      2.731271      2.482891
  H      -0.952217      0.628888      4.658662
  H       0.317668      1.876423      4.637590
  H      -3.551075      0.466771      6.975603
  H      -2.748182      0.018569      5.462754
  H      -2.514059      2.638291      7.031785
  H      -1.219768      1.425069      6.846381
  C     -12.009085      1.879616      5.847819
  C     -10.877603      2.611301      6.548706
  O     -10.757337      3.837177      6.515811
  N     -10.013696      1.773071      7.212550
  C      -8.807557      2.080548      7.868274
  C      -7.968492      1.007655      8.208553
  C      -6.736383      1.235865      8.806359
  C      -6.348171      2.541452      9.086287
  F      -5.112875      2.741110      9.612472
  C      -7.166137      3.638219      8.779206
  C      -6.745564      5.049298      9.047972
  O      -6.084954      5.364314     10.031507
  C      -7.096523      6.078165      7.960596
  C      -6.471795      5.603789      6.673818
  C      -7.244855      5.127730      5.602798
  C      -6.623010      4.455935      4.552633
  N      -5.292636      4.299686      4.498386
  C      -4.518849      4.881437      5.477687
  C      -5.073837      5.491687      6.603723
  C      -8.403026      3.385997      8.158420
  C       2.824324     -3.843679      6.120869
  C       1.534144     -3.616008      5.352664
  O       0.849041     -2.603724      5.486937
  N       1.216402     -4.648928      4.498858
  C       0.128906     -4.765935      3.610464
  C       0.235126     -5.729983      2.588802
  C      -0.797066     -5.896390      1.666926
  C      -1.920106     -5.087771      1.757629
  F      -2.922577     -5.286376      0.854084
  C      -2.075778     -4.129797      2.770727
  C      -3.258467     -3.248424      2.927526
  O      -3.599055     -2.860436      4.048550
  C      -3.983045     -2.724969      1.675002
  C      -4.195039     -1.237701      1.814881
  C      -5.469109     -0.649675      1.844938
  C      -5.588044      0.704344      2.153782
  N      -4.527094      1.489080      2.392944
  C      -3.270978      0.930048      2.305445
  C      -3.076733     -0.426433      2.011473
  C      -1.028441     -3.990688      3.708680
  C      -7.399140     -6.961239     13.193737
  C      -7.318804     -7.237769     11.702851
  O      -7.331082     -8.375232     11.234871
  N      -7.232103     -6.093960     10.939018
  C      -7.143529     -5.956859      9.541760
  C      -7.115687     -7.051682      8.656895
  C      -7.025264     -6.815133      7.286108
  C      -6.964077     -5.517266      6.798213
  F      -6.879832     -5.369977      5.447183
  C      -6.989530     -4.396208      7.646702
  C      -6.932200     -2.957795      7.239069
  O      -6.976904     -2.079200      8.104335
  C      -6.806932     -2.611513      5.760061
  C      -6.736168     -1.138361      5.485320
  C      -7.863700     -0.402501      5.090000
  C      -7.682077      0.949918      4.803721
  N      -6.512992      1.586698      4.864345
  C      -5.412859      0.897831      5.260505
  C      -5.519177     -0.481325      5.589038
  C      -7.080071     -4.660984      9.025686
  H     -11.615414      1.184792      5.090193
  H     -12.602831      1.292294      6.564011
  H     -12.655914      2.615558      5.360292
  H     -10.191078      0.777197      7.109720
  H      -8.246828     -0.018983      7.966913
  H      -6.080225      0.390997      9.017930
  H      -6.687651      7.042131      8.293036
  H      -8.185720      6.178938      7.848960
  H      -8.331795      5.209688      5.620325
  H      -7.200048      3.990803      3.754288
  H      -4.436950      5.843148      7.417012
  H      -9.058467      4.208928      7.893074
  H       3.679380     -3.937876      5.434365
  H       2.991347     -2.992356      6.787889
  H       2.769976     -4.766376      6.717593
  H       1.901479     -5.397308      4.435634
  H       1.131981     -6.349062      2.514014
  H      -0.737858     -6.649439      0.880682
  H      -3.388514     -2.942223      0.776672
  H      -4.940974     -3.258551      1.565728
  H      -6.366070     -1.249213      1.687322
  H      -6.570039      1.166844      2.251198
  H      -2.071078     -0.850436      2.035021
  H      -1.131762     -3.241872      4.491089
  H      -7.472260     -7.915812     13.723823
  H      -6.506330     -6.420722     13.542433
  H      -8.278311     -6.344629     13.433726
  H      -7.231809     -5.215532     11.451156
  H      -7.164605     -8.064084      9.048390
  H      -7.001368     -7.645772      6.579805
  H      -7.643979     -3.078982      5.216635
  H      -5.897819     -3.106187      5.378166
  H      -8.844447     -0.868658      4.979973
  H      -8.539681      1.561373      4.494086
  H      -4.634586     -1.071737      5.824402
  H      -7.099164     -3.792627      9.688852
  N      -2.974315      4.586761      2.295618
  H      -3.358824      5.493474      2.574804
  H      -3.384150      4.352370      1.387816
  H      -1.972312      4.723253      2.134321
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.512417286175
  N      -3.220695      4.658059      5.136507
  Mo     -3.556301      3.025309      3.924404
  N      -4.203959      1.562519      5.283921
  C      -3.167367      0.882957      6.055919
  C      -2.102437      1.896330      6.385472
  N      -1.664277      2.575606      5.126569
  C      -1.015242      3.877163      5.451726
  C      -2.072277      4.846395      5.981987
  C      -0.724131      1.657342      4.395407
  C      -0.948078      1.787662      2.890814
  N      -2.361192      1.892102      2.680937
  H      -1.676594      5.878053      5.931296
  H      -2.295863      4.652271      7.048229
  H      -0.580512      4.264640      4.519228
  H      -0.197351      3.727455      6.179727
  H      -0.484620      0.939960      2.357416
  H      -0.463030      2.707618      2.515605
  H      -0.961855      0.629542      4.700281
  H       0.315069      1.868917      4.696897
  H      -3.564229      0.471789      7.000853
  H      -2.743969      0.023453      5.498190
  H      -2.531468      2.651211      7.054757
  H      -1.230420      1.441228      6.886297
  C     -12.003671      1.805448      5.884345
  C     -10.877974      2.560369      6.569279
  O     -10.778238      3.788063      6.526784
  N      -9.994915      1.741951      7.232078
  C      -8.786401      2.074436      7.871650
  C      -7.927337      1.017844      8.211632
  C      -6.696627      1.270083      8.802555
  C      -6.329861      2.583144      9.075035
  F      -5.097777      2.805492      9.599750
  C      -7.165585      3.665271      8.760932
  C      -6.761753      5.083515      9.016933
  O      -6.107058      5.412950      9.999085
  C      -7.120993      6.099666      7.920201
  C      -6.485698      5.620692      6.639953
  C      -7.250641      5.130046      5.570168
  C      -6.618213      4.453035      4.529251
  N      -5.286782      4.306705      4.482175
  C      -4.521214      4.898072      5.462594
  C      -5.086871      5.517560      6.578491
  C      -8.400235      3.388679      8.147520
  C       2.724955     -3.903001      6.178714
  C       1.450946     -3.660184      5.388794
  O       0.759693     -2.653103      5.531459
  N       1.153158     -4.673658      4.505079
  C       0.083503     -4.771246      3.593115
  C       0.214038     -5.705909      2.547215
  C      -0.801997     -5.854252      1.604667
  C      -1.931995     -5.055782      1.698542
  F      -2.918871     -5.238809      0.774852
  C      -2.110374     -4.125483      2.733249
  C      -3.304904     -3.258818      2.893706
  O      -3.673801     -2.912234      4.018806
  C      -4.006532     -2.700832      1.643563
  C      -4.194934     -1.212386      1.801371
  C      -5.461964     -0.609568      1.826132
  C      -5.568546      0.741974      2.150749
  N      -4.499486      1.510557      2.407726
  C      -3.247334      0.940302      2.315591
  C      -3.067763     -0.416372      2.015264
  C      -1.080631     -4.006296      3.692529
  C      -7.361276     -6.939083     13.202272
  C      -7.285817     -7.221973     11.712503
  O      -7.303588     -8.361399     11.248452
  N      -7.196763     -6.082192     10.943667
  C      -7.112278     -5.951949      9.545430
  C      -7.090646     -7.051031      8.664913
  C      -7.004333     -6.820027      7.292909
  C      -6.941336     -5.523883      6.799599
  F      -6.861270     -5.380951      5.448160
  C      -6.960592     -4.400068      7.643452
  C      -6.901639     -2.963187      7.229236
  O      -6.936489     -2.082181      8.092249
  C      -6.789650     -2.621783      5.748640
  C      -6.722604     -1.149482      5.469707
  C      -7.850082     -0.419860      5.064787
  C      -7.672542      0.934735      4.780653
  N      -6.508315      1.579181      4.857004
  C      -5.408387      0.893457      5.259855
  C      -5.509316     -0.486298      5.582929
  C      -7.046782     -4.659005      9.023475
  H     -11.605995      1.113725      5.125950
  H     -12.579347      1.211784      6.609972
  H     -12.668440      2.527231      5.399796
  H     -10.154659      0.742583      7.133825
  H      -8.188561     -0.014790      7.976204
  H      -6.025619      0.437716      9.013572
  H      -6.725163      7.071154      8.246189
  H      -8.211128      6.187380      7.803873
  H      -8.338271      5.202357      5.583399
  H      -7.188633      3.977379      3.732266
  H      -4.456956      5.876704      7.393764
  H      -9.070294      4.198960      7.878244
  H       3.594468     -3.979652      5.508393
  H       2.875976     -3.067373      6.868954
  H       2.659566     -4.839627      6.752102
  H       1.841521     -5.418621      4.437198
  H       1.116268     -6.316813      2.471277
  H      -0.725562     -6.585866      0.799882
  H      -3.410087     -2.917209      0.746632
  H      -4.975316     -3.211609      1.521840
  H      -6.364315     -1.195757      1.650668
  H      -6.545375      1.215885      2.246513
  H      -2.066920     -0.852022      2.038812
  H      -1.202024     -3.282361      4.495004
  H      -7.437656     -7.890885     13.736833
  H      -6.464962     -6.401312     13.546149
  H      -8.237026     -6.317256     13.441209
  H      -7.192253     -5.201643     11.452214
  H      -7.141032     -8.061613      9.060744
  H      -6.985048     -7.653251      6.589573
  H      -7.634344     -3.089610      5.216990
  H      -5.885798     -3.118322      5.356609
  H      -8.827145     -0.892202      4.946608
  H      -8.529696      1.542700      4.463716
  H      -4.624293     -1.071875      5.827359
  H      -7.061058     -3.787723      9.683011
  N      -2.947261      4.576060      2.298804
  H      -3.327546      5.487217      2.569275
  H      -3.349539      4.337140      1.389018
  H      -1.942545      4.703238      2.148642
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.513405113844
  N      -3.227172      4.666482      5.140516
  Mo     -3.565926      3.021515      3.938738
  N      -4.225448      1.565607      5.293739
  C      -3.194609      0.883081      6.073275
  C      -2.129369      1.894729      6.405612
  N      -1.685906      2.569410      5.145085
  C      -1.030644      3.869198      5.468813
  C      -2.083907      4.844051      5.994913
  C      -0.745964      1.645575      4.421808
  C      -0.955119      1.772229      2.914566
  N      -2.364871      1.896627      2.683615
  H      -1.681368      5.873354      5.952426
  H      -2.317945      4.646501      7.058376
  H      -0.596107      4.253365      4.534933
  H      -0.213518      3.717034      6.196847
  H      -0.500775      0.911884      2.393639
  H      -0.450693      2.679823      2.536026
  H      -0.994364      0.620196      4.725151
  H       0.291424      1.848874      4.734758
  H      -3.599992      0.474811      7.015714
  H      -2.768660      0.021869      5.519998
  H      -2.560819      2.653748      7.068155
  H      -1.260628      1.439119      6.911189
  C     -11.925926      1.751305      5.847055
  C     -10.818447      2.524089      6.540802
  O     -10.738462      3.753370      6.498941
  N      -9.927196      1.720754      7.210093
  C      -8.727490      2.073285      7.855909
  C      -7.854365      1.030943      8.200744
  C      -6.631303      1.303364      8.798427
  C      -6.286813      2.621915      9.072325
  F      -5.061197      2.862527      9.604175
  C      -7.138410      3.690881      8.752727
  C      -6.756047      5.114797      9.007367
  O      -6.105036      5.453786      9.988217
  C      -7.129760      6.122705      7.907939
  C      -6.495421      5.642488      6.627223
  C      -7.260686      5.146561      5.560724
  C      -6.625280      4.465213      4.523452
  N      -5.294707      4.321147      4.477526
  C      -4.528217      4.914985      5.455845
  C      -5.097226      5.542134      6.566288
  C      -8.364049      3.393403      8.132993
  C       2.600805     -3.946994      6.282105
  C       1.349127     -3.693762      5.461100
  O       0.647581     -2.694085      5.604928
  N       1.082923     -4.689278      4.547089
  C       0.039224     -4.771784      3.604292
  C       0.205284     -5.675978      2.537054
  C      -0.787216     -5.809906      1.567905
  C      -1.928000     -5.026264      1.655631
  F      -2.891748     -5.198426      0.706000
  C      -2.139495     -4.123971      2.708555
  C      -3.348887     -3.274839      2.864151
  O      -3.749653     -2.965550      3.988780
  C      -4.026325     -2.691597      1.614226
  C      -4.203500     -1.203763      1.786309
  C      -5.468892     -0.597531      1.798361
  C      -5.574417      0.752780      2.128262
  N      -4.505910      1.515733      2.401640
  C      -3.254153      0.944244      2.319218
  C      -3.076152     -0.413344      2.020788
  C      -1.135276     -4.021834      3.695078
  C      -7.251407     -6.941562     13.198272
  C      -7.207633     -7.222949     11.707323
  O      -7.241161     -8.361504     11.241769
  N      -7.127266     -6.083228     10.937996
  C      -7.070765     -5.952642      9.538560
  C      -7.072099     -7.051112      8.656544
  C      -7.012317     -6.818951      7.283634
  C      -6.953098     -5.522419      6.790246
  F      -6.899043     -5.377170      5.438216
  C      -6.950070     -4.400264      7.635466
  C      -6.891946     -2.963085      7.220710
  O      -6.900641     -2.084121      8.086167
  C      -6.812723     -2.619532      5.739352
  C      -6.746727     -1.146648      5.462537
  C      -7.873959     -0.414855      5.063633
  C      -7.695413      0.941584      4.784440
  N      -6.531078      1.586466      4.862991
  C      -5.432060      0.896094      5.260824
  C      -5.532306     -0.484505      5.575030
  C      -7.009727     -4.660037      9.016280
  H     -11.510932      1.069306      5.089312
  H     -12.494922      1.145801      6.567946
  H     -12.600698      2.461905      5.359981
  H     -10.067956      0.718973      7.107087
  H      -8.095715     -0.005935      7.963930
  H      -5.947732      0.482355      9.013754
  H      -6.743115      7.099879      8.227502
  H      -8.221266      6.199606      7.797181
  H      -8.348286      5.215393      5.574217
  H      -7.195538      3.985154      3.728981
  H      -4.468765      5.904083      7.381397
  H      -9.045420      4.192169      7.857292
  H       3.489339     -4.004594      5.635455
  H       2.727323     -3.126212      6.994567
  H       2.523259     -4.896281      6.832421
  H       1.777999     -5.428090      4.481049
  H       1.115568     -6.275189      2.466559
  H      -0.684924     -6.519706      0.746725
  H      -3.424497     -2.905627      0.720964
  H      -5.002228     -3.185454      1.479681
  H      -6.370112     -1.179885      1.606328
  H      -6.549155      1.232636      2.216138
  H      -2.077680     -0.853866      2.051636
  H      -1.284169     -3.324446      4.515561
  H      -7.323621     -7.892910     13.733992
  H      -6.344505     -6.410389     13.523760
  H      -8.118097     -6.314036     13.454166
  H      -7.107947     -5.203252     11.447197
  H      -7.119127     -8.061884      9.051906
  H      -7.010800     -7.651173      6.579003
  H      -7.673179     -3.081378      5.227954
  H      -5.921256     -3.118692      5.323841
  H      -8.851063     -0.887637      4.947371
  H      -8.551669      1.552350      4.471136
  H      -4.647998     -1.071470      5.817450
  H      -7.006202     -3.789315      9.676564
  N      -2.937276      4.574737      2.310143
  H      -3.310185      5.489077      2.579190
  H      -3.339495      4.332599      1.401672
  H      -1.930678      4.689598      2.165819
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.514245371728
  N      -3.226526      4.670613      5.140279
  Mo     -3.552792      3.010047      3.949533
  N      -4.222349      1.560053      5.301011
  C      -3.202232      0.884559      6.100130
  C      -2.142244      1.900351      6.436943
  N      -1.688846      2.565609      5.174581
  C      -1.036486      3.868234      5.494646
  C      -2.092928      4.846195      6.007778
  C      -0.744404      1.635481      4.465483
  C      -0.931106      1.751811      2.954817
  N      -2.334992      1.895338      2.697880
  H      -1.687326      5.874442      5.970272
  H      -2.340470      4.649331      7.068432
  H      -0.598198      4.246696      4.560220
  H      -0.223200      3.720460      6.227729
  H      -0.481776      0.878607      2.450910
  H      -0.406636      2.646604      2.573515
  H      -1.001667      0.613288      4.771791
  H       0.289548      1.834919      4.792055
  H      -3.621369      0.482512      7.039036
  H      -2.767045      0.019855      5.560058
  H      -2.581345      2.665529      7.086928
  H      -1.277938      1.450555      6.954930
  C     -11.896206      1.676115      5.862900
  C     -10.800415      2.471512      6.548596
  O     -10.742460      3.701794      6.498424
  N      -9.893977      1.688762      7.220297
  C      -8.696687      2.066158      7.856527
  C      -7.806085      1.040910      8.206443
  C      -6.586827      1.338070      8.799931
  C      -6.263739      2.664058      9.063581
  F      -5.041386      2.928222      9.592068
  C      -7.133018      3.716155      8.735528
  C      -6.770901      5.146859      8.975714
  O      -6.130527      5.505093      9.956852
  C      -7.153609      6.136946      7.864677
  C      -6.507711      5.652034      6.590979
  C      -7.264889      5.140324      5.526299
  C      -6.618798      4.455609      4.497380
  N      -5.287270      4.322171      4.458608
  C      -4.529425      4.925220      5.437436
  C      -5.109497      5.561756      6.537804
  C      -8.353932      3.394118      8.120487
  C       2.480654     -4.001201      6.345948
  C       1.247823     -3.731868      5.502543
  O       0.537467     -2.740325      5.657187
  N       1.008846     -4.702649      4.555137
  C      -0.012889     -4.763962      3.587132
  C       0.186975     -5.630124      2.494701
  C      -0.783740     -5.744329      1.501422
  C      -1.935668     -4.977600      1.590667
  F      -2.878550     -5.132707      0.617111
  C      -2.179372     -4.111448      2.666666
  C      -3.403534     -3.283024      2.824499
  O      -3.833914     -3.019269      3.950090
  C      -4.060454     -2.664499      1.582571
  C      -4.212349     -1.177651      1.782588
  C      -5.468734     -0.553015      1.795544
  C      -5.556344      0.794052      2.141589
  N      -4.477379      1.537879      2.425745
  C      -3.233608      0.950069      2.336928
  C      -3.073846     -0.408251      2.034266
  C      -1.197868     -4.030766      3.677202
  C      -7.194365     -6.923357     13.209067
  C      -7.162603     -7.208461     11.719019
  O      -7.203612     -8.348361     11.257479
  N      -7.083923     -6.072004     10.945315
  C      -7.037956     -5.946829      9.545117
  C      -7.048810     -7.048233      8.667087
  C      -6.998914     -6.821117      7.293278
  C      -6.940198     -5.526667      6.794709
  F      -6.895934     -5.385824      5.442104
  C      -6.927637     -4.402020      7.636108
  C      -6.867770     -2.965825      7.214955
  O      -6.865137     -2.084949      8.078174
  C      -6.807470     -2.628615      5.732144
  C      -6.741458     -1.157192      5.447698
  C      -7.864971     -0.426927      5.037674
  C      -7.683445      0.927345      4.750203
  N      -6.520957      1.573826      4.836524
  C      -5.426642      0.884437      5.248944
  C      -5.526839     -0.494553      5.565050
  C      -6.977539     -4.656230      9.017933
  H     -11.471861      0.999883      5.105303
  H     -12.450052      1.062050      6.588157
  H     -12.586454      2.372192      5.376804
  H     -10.016283      0.684147      7.121034
  H      -8.031309     -0.001126      7.976579
  H      -5.887621      0.531758      9.021772
  H      -6.783139      7.122663      8.176965
  H      -8.245495      6.195980      7.748102
  H      -8.352937      5.199236      5.535257
  H      -7.181398      3.964940      3.704139
  H      -4.488654      5.933114      7.354363
  H      -9.048445      4.179100      7.837739
  H       3.384614     -4.037142      5.719676
  H       2.585422     -3.199477      7.083051
  H       2.394957     -4.965396      6.868170
  H       1.710650     -5.434502      4.483667
  H       1.105866     -6.215707      2.423662
  H      -0.656248     -6.426102      0.660437
  H      -3.458714     -2.873221      0.688459
  H      -5.046082     -3.135073      1.436019
  H      -6.376438     -1.119958      1.589675
  H      -6.523136      1.289421      2.230114
  H      -2.082883     -0.865032      2.061560
  H      -1.372697     -3.364218      4.517874
  H      -7.267228     -7.872874     13.747665
  H      -6.282621     -6.395851     13.526541
  H      -8.056064     -6.291035     13.469505
  H      -7.058303     -5.190388     11.451370
  H      -7.095326     -8.057393      9.066208
  H      -7.004710     -7.655693      6.591610
  H      -7.675792     -3.091432      5.235238
  H      -5.923282     -3.132067      5.306755
  H      -8.841152     -0.900461      4.919462
  H      -8.536522      1.535698      4.424296
  H      -4.644487     -1.078511      5.821126
  H      -6.966313     -3.783163      9.674744
  N      -2.907568      4.562409      2.319048
  H      -3.276685      5.480245      2.580417
  H      -3.301931      4.315648      1.408644
  H      -1.898586      4.666948      2.186133
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.514900292575
  N      -3.228494      4.670289      5.125828
  Mo     -3.556662      3.000963      3.939799
  N      -4.227517      1.551191      5.287641
  C      -3.211541      0.878438      6.093938
  C      -2.151357      1.895834      6.428229
  N      -1.700724      2.557844      5.162469
  C      -1.043330      3.859996      5.477353
  C      -2.095261      4.840535      5.993751
  C      -0.757581      1.625129      4.455667
  C      -0.937206      1.735379      2.946364
  N      -2.337646      1.893877      2.672033
  H      -1.685237      5.867223      5.961390
  H      -2.343576      4.640395      7.053737
  H      -0.609697      4.235137      4.539412
  H      -0.226651      3.712172      6.206680
  H      -0.494545      0.852929      2.452429
  H      -0.399726      2.620637      2.560644
  H      -1.016720      0.604785      4.764825
  H       0.276110      1.821641      4.785084
  H      -3.634849      0.480514      7.032538
  H      -2.775810      0.011614      5.558826
  H      -2.593166      2.662104      7.075310
  H      -1.284994      1.450864      6.946412
  C     -11.892322      1.644092      5.971674
  C     -10.792073      2.453956      6.633638
  O     -10.748894      3.684398      6.579612
  N      -9.864039      1.681838      7.289870
  C      -8.656626      2.072477      7.897786
  C      -7.748711      1.057527      8.236157
  C      -6.522679      1.371697      8.808901
  C      -6.209248      2.701525      9.061576
  F      -4.982200      2.981235      9.571283
  C      -7.092739      3.742840      8.740450
  C      -6.738264      5.179082      8.965474
  O      -6.093231      5.551856      9.938446
  C      -7.141523      6.155966      7.850041
  C      -6.502181      5.665193      6.575279
  C      -7.262981      5.140096      5.518384
  C      -6.619413      4.452900      4.490146
  N      -5.287183      4.326642      4.442870
  C      -4.526841      4.934170      5.417900
  C      -5.104486      5.581536      6.514314
  C      -8.321042      3.405948      8.147663
  C       2.388662     -3.987469      6.455038
  C       1.176769     -3.720674      5.580503
  O       0.446150     -2.743632      5.732953
  N       0.982068     -4.676456      4.607598
  C      -0.010112     -4.734970      3.609024
  C       0.238932     -5.567257      2.500788
  C      -0.703146     -5.678924      1.479984
  C      -1.875291     -4.941587      1.557349
  F      -2.789076     -5.098060      0.556709
  C      -2.166525     -4.106678      2.646934
  C      -3.414515     -3.311903      2.793744
  O      -3.877993     -3.085228      3.913565
  C      -4.055218     -2.678612      1.551267
  C      -4.205990     -1.191243      1.760276
  C      -5.462940     -0.565943      1.754263
  C      -5.555570      0.780962      2.096764
  N      -4.480815      1.524283      2.396594
  C      -3.234710      0.940423      2.324156
  C      -3.071844     -0.421357      2.030159
  C      -1.213886     -4.030973      3.684919
  C      -7.185639     -6.939672     13.190870
  C      -7.168531     -7.222963     11.699839
  O      -7.224691     -8.361269     11.236983
  N      -7.084473     -6.084863     10.927797
  C      -7.048754     -5.956076      9.527702
  C      -7.076664     -7.054973      8.647311
  C      -7.036477     -6.825927      7.273699
  C      -6.970942     -5.531169      6.776796
  F      -6.937348     -5.389745      5.424193
  C      -6.941102     -4.407863      7.620678
  C      -6.872333     -2.971352      7.202135
  O      -6.848431     -2.092115      8.066283
  C      -6.828711     -2.633784      5.718673
  C      -6.753008     -1.163093      5.431531
  C      -7.873921     -0.429612      5.018239
  C      -7.687515      0.922636      4.727024
  N      -6.522571      1.564672      4.814613
  C      -5.430490      0.874503      5.230794
  C      -5.535607     -0.504407      5.547293
  C      -6.981204     -4.664479      9.002671
  H     -11.475034      0.974712      5.203910
  H     -12.421531      1.021370      6.708014
  H     -12.602756      2.330944      5.501615
  H      -9.976680      0.675777      7.193094
  H      -7.965437      0.010983      8.015125
  H      -5.811388      0.574068      9.024575
  H      -6.777278      7.148501      8.148349
  H      -8.234634      6.202866      7.742608
  H      -8.351491      5.191820      5.534293
  H      -7.184764      3.955950      3.702666
  H      -4.480437      5.959811      7.325583
  H      -9.027497      4.182577      7.872117
  H       3.311007     -3.998339      5.855028
  H       2.459860     -3.198465      7.209792
  H       2.302206     -4.962599      6.956698
  H       1.698464     -5.394656      4.541448
  H       1.173389     -6.129242      2.439783
  H      -0.538461     -6.336762      0.626338
  H      -3.446782     -2.881684      0.660639
  H      -5.042776     -3.141240      1.393252
  H      -6.367205     -1.132753      1.532576
  H      -6.521813      1.278947      2.170456
  H      -2.081579     -0.878919      2.067150
  H      -1.426308     -3.393005      4.539044
  H      -7.265450     -7.889138     13.728739
  H      -6.265300     -6.423299     13.502120
  H      -8.037974     -6.297710     13.458826
  H      -7.046778     -5.204631     11.435485
  H      -7.128716     -8.064611      9.044993
  H      -7.055490     -7.659228      6.570549
  H      -7.710370     -3.086849      5.236581
  H      -5.957249     -3.144988      5.276937
  H      -8.851807     -0.901341      4.901583
  H      -8.536857      1.532526      4.393887
  H      -4.655321     -1.090927      5.805775
  H      -6.956579     -3.793080      9.661420
  N      -2.913437      4.556280      2.296972
  H      -3.273255      5.478918      2.553781
  H      -3.313812      4.303508      1.391097
  H      -1.903627      4.646630      2.162520
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.515585292029
  N      -3.227508      4.669081      5.117643
  Mo     -3.554076      2.985300      3.952757
  N      -4.235462      1.545542      5.296567
  C      -3.230463      0.880111      6.122588
  C      -2.169508      1.897032      6.454655
  N      -1.706480      2.545459      5.187016
  C      -1.048291      3.848698      5.495095
  C      -2.100241      4.838101      5.996138
  C      -0.765221      1.603279      4.489903
  C      -0.933442      1.709653      2.976503
  N      -2.329932      1.884597      2.687033
  H      -1.685330      5.862462      5.960742
  H      -2.360552      4.645776      7.054586
  H      -0.610607      4.215653      4.555835
  H      -0.235347      3.704577      6.229155
  H      -0.497557      0.820711      2.488293
  H      -0.381813      2.586534      2.592176
  H      -1.031427      0.586137      4.803592
  H       0.267702      1.795979      4.823919
  H      -3.665659      0.499585      7.063100
  H      -2.791468      0.003509      5.606357
  H      -2.611930      2.672451      7.089933
  H      -1.310723      1.451801      6.985322
  C     -11.787047      1.577262      5.887399
  C     -10.717919      2.409168      6.572024
  O     -10.694777      3.640049      6.511076
  N      -9.792098      1.657240      7.252796
  C      -8.602948      2.071311      7.880645
  C      -7.688175      1.072221      8.245085
  C      -6.475534      1.409334      8.831542
  C      -6.182221      2.746776      9.071779
  F      -4.963685      3.047678      9.589580
  C      -7.076430      3.772541      8.729351
  C      -6.747081      5.216095      8.942640
  O      -6.113080      5.608146      9.915552
  C      -7.153280      6.175632      7.813439
  C      -6.509159      5.678170      6.543400
  C      -7.266558      5.146862      5.487697
  C      -6.617764      4.452932      4.467256
  N      -5.285556      4.326888      4.426845
  C      -4.528467      4.939615      5.398535
  C      -5.112149      5.594860      6.487950
  C      -8.291409      3.411448      8.123366
  C       2.243843     -4.023303      6.537171
  C       1.050557     -3.747897      5.640086
  O       0.307924     -2.780760      5.797349
  N       0.887309     -4.682344      4.641290
  C      -0.080363     -4.722816      3.618047
  C       0.205257     -5.517115      2.490986
  C      -0.712124     -5.608598      1.445669
  C      -1.894528     -4.887797      1.518084
  F      -2.784237     -5.026887      0.492988
  C      -2.220865     -4.088477      2.624656
  C      -3.479921     -3.311290      2.767361
  O      -3.966420     -3.116506      3.885235
  C      -4.108938     -2.656027      1.531270
  C      -4.238736     -1.170003      1.761670
  C      -5.486605     -0.526675      1.753231
  C      -5.561214      0.818849      2.103082
  N      -4.476102      1.544878      2.409772
  C      -3.239204      0.941690      2.341450
  C      -3.093973     -0.420795      2.045218
  C      -1.293720     -4.035588      3.687160
  C      -7.069170     -6.966788     13.186825
  C      -7.078954     -7.242147     11.694523
  O      -7.143661     -8.378419     11.227641
  N      -7.008274     -6.100954     10.926283
  C      -6.997595     -5.966531      9.526316
  C      -7.039613     -7.061622      8.642149
  C      -7.024075     -6.826876      7.269002
  C      -6.968842     -5.530245      6.776242
  F      -6.959891     -5.382875      5.423949
  C      -6.925123     -4.410614      7.624419
  C      -6.863539     -2.971839      7.210052
  O      -6.820698     -2.095997      8.077373
  C      -6.847001     -2.629965      5.727949
  C      -6.770840     -1.159525      5.442535
  C      -7.887701     -0.422711      5.025841
  C      -7.695727      0.927123      4.728024
  N      -6.528882      1.565477      4.814152
  C      -5.441986      0.871923      5.238835
  C      -5.551183     -0.504429      5.560236
  C      -6.940708     -4.672490      9.005649
  H     -11.339052      0.915951      5.130058
  H     -12.319707      0.944222      6.612253
  H     -12.500371      2.249289      5.400809
  H      -9.884644      0.648886      7.158044
  H      -7.888841      0.021114      8.032101
  H      -5.754947      0.626974      9.071337
  H      -6.798694      7.174184      8.102643
  H      -8.246664      6.211867      7.703710
  H      -8.354975      5.198015      5.498308
  H      -7.178915      3.950162      3.680677
  H      -4.492391      5.979033      7.299588
  H      -9.005451      4.174183      7.829446
  H       3.180227     -4.014157      5.959458
  H       2.289798     -3.249320      7.309159
  H       2.154661     -5.009056      7.017017
  H       1.611867     -5.392199      4.575171
  H       1.147858     -6.065354      2.433708
  H      -0.519898     -6.238392      0.576879
  H      -3.502742     -2.854538      0.638534
  H      -5.102920     -3.101848      1.366000
  H      -6.396430     -1.080494      1.522704
  H      -6.519587      1.332302      2.174730
  H      -2.111909     -0.895204      2.083622
  H      -1.535251     -3.428711      4.555905
  H      -7.141006     -7.919063     13.720675
  H      -6.142535     -6.453815     13.484562
  H      -7.915266     -6.324859     13.473734
  H      -6.961880     -5.222961     11.437094
  H      -7.083469     -8.073014      9.036090
  H      -7.054584     -7.657311      6.562994
  H      -7.736200     -3.081460      5.258669
  H      -5.983202     -3.141842      5.271665
  H      -8.867080     -0.891222      4.911151
  H      -8.542619      1.537920      4.390413
  H      -4.673319     -1.091650      5.824821
  H      -6.905189     -3.803688      9.667140
  N      -2.888637      4.539464      2.314599
  H      -3.243230      5.464561      2.568359
  H      -3.286486      4.284149      1.408539
  H      -1.877379      4.618934      2.185955
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.516128088223
  N      -3.226026      4.660107      5.106763
  Mo     -3.554369      2.968904      3.950524
  N      -4.243029      1.534405      5.294036
  C      -3.247289      0.872342      6.133597
  C      -2.183861      1.887490      6.463570
  N      -1.715725      2.527090      5.194106
  C      -1.052883      3.829635      5.494960
  C      -2.101012      4.826554      5.988473
  C      -0.779554      1.575380      4.503724
  C      -0.937830      1.674384      2.990234
  N      -2.329051      1.867331      2.685601
  H      -1.679283      5.848062      5.950715
  H      -2.366002      4.639901      7.046737
  H      -0.612130      4.188476      4.554084
  H      -0.241480      3.687209      6.231175
  H      -0.509422      0.777162      2.510430
  H      -0.371669      2.541319      2.604682
  H      -1.052535      0.562171      4.824054
  H       0.253826      1.763362      4.839526
  H      -3.690553      0.503032      7.074784
  H      -2.808887     -0.011645      5.629748
  H      -2.625140      2.667760      7.093615
  H      -1.327823      1.443063      6.999496
  C     -11.712081      1.520724      5.886827
  C     -10.663028      2.374216      6.576051
  O     -10.665532      3.605278      6.516642
  N      -9.723063      1.640281      7.257225
  C      -8.539761      2.075757      7.880966
  C      -7.608070      1.092337      8.246253
  C      -6.399562      1.451514      8.827890
  C      -6.126711      2.794175      9.062053
  F      -4.911422      3.116802      9.574819
  C      -7.037319      3.803973      8.718533
  C      -6.728268      5.253428      8.921448
  O      -6.100772      5.662353      9.891649
  C      -7.148212      6.198124      7.785284
  C      -6.503587      5.694299      6.518117
  C      -7.261701      5.152151      5.467499
  C      -6.614281      4.451589      4.451674
  N      -5.281301      4.327672      4.409661
  C      -4.524161      4.944695      5.378981
  C      -5.106998      5.612161      6.462044
  C      -8.248973      3.421835      8.117924
  C       2.138184     -3.996642      6.616180
  C       0.956987     -3.727447      5.701175
  O       0.190924     -2.779831      5.864628
  N       0.833841     -4.642807      4.679588
  C      -0.110866     -4.678774      3.634491
  C       0.220927     -5.430483      2.491028
  C      -0.671213     -5.514939      1.423329
  C      -1.873946     -4.828636      1.491067
  F      -2.737213     -4.962958      0.442609
  C      -2.246553     -4.070895      2.613028
  C      -3.528280     -3.332617      2.750944
  O      -4.039687     -3.177071      3.864581
  C      -4.151933     -2.658943      1.522064
  C      -4.268182     -1.173528      1.767991
  C      -5.509727     -0.517855      1.759211
  C      -5.573480      0.825460      2.116647
  N      -4.480926      1.540812      2.424923
  C      -3.248249      0.928009      2.351000
  C      -3.116648     -0.436656      2.058196
  C      -1.343659     -4.026791      3.697638
  C      -7.024501     -6.999401     13.172148
  C      -7.054275     -7.268059     11.678763
  O      -7.132629     -8.401854     11.208293
  N      -6.984256     -6.123975     10.914759
  C      -6.989307     -5.983205      9.515321
  C      -7.049362     -7.073902      8.627253
  C      -7.049156     -6.833465      7.254872
  C      -6.991563     -5.535278      6.766893
  F      -6.999058     -5.382907      5.415206
  C      -6.929147     -4.419509      7.619364
  C      -6.861680     -2.979424      7.211064
  O      -6.802499     -2.107688      8.081429
  C      -6.868814     -2.631927      5.730358
  C      -6.787407     -1.161703      5.446157
  C      -7.902113     -0.421308      5.029381
  C      -7.705928      0.926794      4.727100
  N      -6.536250      1.560160      4.809513
  C      -5.451518      0.864573      5.236479
  C      -5.565534     -0.510210      5.562481
  C      -6.929682     -4.687099      8.999629
  H     -11.247568      0.876093      5.125039
  H     -12.228479      0.868885      6.606733
  H     -12.441991      2.178210      5.405015
  H      -9.794046      0.630484      7.158612
  H      -7.794109      0.037651      8.037198
  H      -5.664941      0.683803      9.071655
  H      -6.803211      7.202876      8.064064
  H      -8.242226      6.221016      7.677646
  H      -8.350222      5.200953      5.480139
  H      -7.175078      3.943050      3.668621
  H      -4.486961      6.000928      7.271242
  H      -8.976095      4.172081      7.823865
  H       3.085553     -3.956859      6.058014
  H       2.152437     -3.237320      7.403822
  H       2.060851     -4.993239      7.075206
  H       1.575104     -5.335056      4.612690
  H       1.179505     -5.950622      2.438182
  H      -0.443380     -6.113069      0.540919
  H      -3.547711     -2.850063      0.626627
  H      -5.149498     -3.094011      1.351670
  H      -6.423478     -1.062455      1.522284
  H      -6.526934      1.347590      2.188331
  H      -2.139423     -0.920956      2.094681
  H      -1.621204     -3.454788      4.579041
  H      -7.098732     -7.953776     13.701947
  H      -6.089884     -6.496374     13.461818
  H      -7.860925     -6.351137     13.472829
  H      -6.925831     -5.248615     11.428803
  H      -7.095303     -8.086618      9.017619
  H      -7.093963     -7.660770      6.546008
  H      -7.768139     -3.077572      5.275105
  H      -6.016268     -3.147158      5.256529
  H      -8.883778     -0.886317      4.918391
  H      -8.551632      1.538860      4.388384
  H      -4.688927     -1.098260      5.829709
  H      -6.879721     -3.821470      9.664316
  N      -2.882476      4.518076      2.306333
  H      -3.224570      5.449701      2.553066
  H      -3.282936      4.260899      1.401900
  H      -1.870163      4.580810      2.177944
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.516657910873
  N      -3.217891      4.646559      5.092698
  Mo     -3.546581      2.952396      3.942854
  N      -4.242535      1.516205      5.275395
  C      -3.255454      0.858335      6.130168
  C      -2.191491      1.872247      6.461918
  N      -1.714668      2.506969      5.193915
  C      -1.048923      3.808136      5.493627
  C      -2.095889      4.810510      5.979901
  C      -0.781564      1.549488      4.507453
  C      -0.931246      1.651184      2.992584
  N      -2.319145      1.857071      2.673958
  H      -1.669923      5.830160      5.941136
  H      -2.367504      4.627451      7.037038
  H      -0.603961      4.163568      4.553473
  H      -0.240725      3.665811      6.233386
  H      -0.506422      0.752457      2.512466
  H      -0.355706      2.514725      2.613535
  H      -1.059231      0.537947      4.828189
  H       0.252137      1.733239      4.845129
  H      -3.708169      0.500749      7.071248
  H      -2.814908     -0.032414      5.639732
  H      -2.633651      2.654916      7.088637
  H      -1.340584      1.425634      7.004476
  C     -11.703266      1.475867      5.974434
  C     -10.656022      2.346937      6.644662
  O     -10.677916      3.577765      6.584266
  N      -9.694188      1.627904      7.311972
  C      -8.505341      2.080723      7.911993
  C      -7.556960      1.109627      8.269239
  C      -6.344376      1.487056      8.830983
  C      -6.083492      2.834284      9.053091
  F      -4.864627      3.175026      9.545627
  C      -7.008923      3.831612      8.714851
  C      -6.712579      5.285837      8.902022
  O      -6.086842      5.710736      9.866313
  C      -7.140870      6.213878      7.754912
  C      -6.496115      5.698831      6.492218
  C      -7.254586      5.149860      5.444769
  C      -6.607101      4.445030      4.432512
  N      -5.273935      4.321857      4.390400
  C      -4.516097      4.939875      5.358447
  C      -5.099694      5.614424      6.437522
  C      -8.225174      3.431892      8.134122
  C       2.014613     -3.982136      6.714073
  C       0.855391     -3.716259      5.769996
  O       0.069175     -2.783782      5.927896
  N       0.776097     -4.616013      4.730277
  C      -0.137100     -4.644695      3.656718
  C       0.241938     -5.358233      2.503359
  C      -0.619599     -5.430930      1.409364
  C      -1.837511     -4.770763      1.461711
  F      -2.667809     -4.895573      0.385612
  C      -2.256667     -4.049597      2.592374
  C      -3.553635     -3.338368      2.717462
  O      -4.088924     -3.210146      3.824612
  C      -4.171628     -2.655892      1.490430
  C      -4.277327     -1.170654      1.744219
  C      -5.513525     -0.505010      1.723988
  C      -5.569937      0.838361      2.080681
  N      -4.473609      1.544954      2.398344
  C      -3.245162      0.922552      2.337492
  C      -3.122640     -0.443915      2.048180
  C      -1.384024     -4.019901      3.702720
  C      -6.992044     -7.008301     13.160004
  C      -7.030859     -7.277735     11.666630
  O      -7.110852     -8.411701     11.196632
  N      -6.966574     -6.133386     10.902257
  C      -6.980325     -5.992364      9.502760
  C      -7.043765     -7.083005      8.614751
  C      -7.051907     -6.842305      7.242188
  C      -6.999226     -5.543834      6.754000
  F      -7.014518     -5.391703      5.402547
  C      -6.933212     -4.428137      7.606458
  C      -6.868084     -2.988037      7.198936
  O      -6.801143     -2.116483      8.069143
  C      -6.883403     -2.639646      5.718524
  C      -6.796097     -1.170232      5.432590
  C      -7.906594     -0.428251      5.006758
  C      -7.705351      0.917863      4.697427
  N      -6.533782      1.547656      4.781325
  C      -5.453275      0.850975      5.217041
  C      -5.573343     -0.521254      5.551829
  C      -6.925546     -4.696155      8.986700
  H     -11.241137      0.843767      5.200761
  H     -12.191770      0.810746      6.701708
  H     -12.455711      2.120703      5.510342
  H      -9.750826      0.616949      7.214795
  H      -7.735095      0.051245      8.069769
  H      -5.595454      0.732572      9.071764
  H      -6.800712      7.224184      8.019149
  H      -8.235518      6.228427      7.649827
  H      -8.343230      5.198975      5.457085
  H      -7.167472      3.933779      3.650774
  H      -4.479705      6.006734      7.245203
  H      -8.965084      4.172341      7.846693
  H       2.976775     -3.919431      6.183808
  H       1.994684     -3.234809      7.513095
  H       1.940045     -4.986617      7.156231
  H       1.530062     -5.295215      4.672286
  H       1.212322     -5.857278      2.463120
  H      -0.355748     -6.000488      0.518002
  H      -3.568405     -2.842936      0.593630
  H      -5.172038     -3.082585      1.316966
  H      -6.428593     -1.042967      1.476515
  H      -6.519519      1.369084      2.142703
  H      -2.150126     -0.937001      2.094664
  H      -1.699027     -3.479920      4.591376
  H      -7.064062     -7.962597     13.690479
  H      -6.055048     -6.506295     13.444022
  H      -7.825927     -6.359064     13.465853
  H      -6.906241     -5.257985     11.416007
  H      -7.085722     -8.096056      9.004958
  H      -7.099221     -7.669724      6.533527
  H      -7.787053     -3.081242      5.267963
  H      -6.035536     -3.157317      5.238441
  H      -8.889232     -0.891038      4.894209
  H      -8.547668      1.530183      4.350769
  H      -4.699479     -1.108928      5.829736
  H      -6.872351     -3.830512      9.651335
  N      -2.867615      4.505145      2.304694
  H      -3.200254      5.440421      2.550416
  H      -3.271871      4.249356      1.401468
  H      -1.854776      4.555410      2.175528
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.517172782427
  N      -3.215578      4.627589      5.081168
  Mo     -3.548214      2.936090      3.931703
  N      -4.247289      1.497929      5.257891
  C      -3.265745      0.840466      6.120633
  C      -2.198972      1.852010      6.451295
  N      -1.720679      2.484797      5.183205
  C      -1.049623      3.783414      5.481183
  C      -2.092976      4.789089      5.967474
  C      -0.792339      1.522955      4.496395
  C      -0.938626      1.626740      2.982259
  N      -2.323797      1.843817      2.657630
  H      -1.663117      5.807152      5.927853
  H      -2.364724      4.607408      7.024807
  H      -0.602719      4.136267      4.541062
  H      -0.241922      3.639599      6.221351
  H      -0.518482      0.726492      2.500849
  H      -0.356306      2.487182      2.606444
  H      -1.073243      0.513061      4.818407
  H       0.242404      1.703013      4.833286
  H      -3.723646      0.490835      7.062082
  H      -2.827514     -0.055509      5.637593
  H      -2.638526      2.635485      7.079190
  H      -1.348897      1.403539      6.993689
  C     -11.637779      1.409116      6.027097
  C     -10.602903      2.298791      6.692232
  O     -10.649063      3.529007      6.636649
  N      -9.620498      1.596533      7.348062
  C      -8.433444      2.070399      7.934703
  C      -7.464987      1.115519      8.283639
  C      -6.253271      1.514921      8.831793
  C      -6.012519      2.866562      9.048346
  F      -4.793662      3.229397      9.526423
  C      -6.957230      3.847560      8.717530
  C      -6.680894      5.306959      8.894614
  O      -6.057891      5.746875      9.853610
  C      -7.125980      6.221135      7.742431
  C      -6.486511      5.699186      6.480201
  C      -7.248351      5.145581      5.437237
  C      -6.605228      4.437612      4.424672
  N      -5.271970      4.314106      4.378125
  C      -4.511327      4.930891      5.345691
  C      -5.090361      5.612057      6.422553
  C      -8.173134      3.426722      8.150574
  C       1.915613     -3.922105      6.799167
  C       0.773597     -3.667077      5.831424
  O      -0.034102     -2.751721      5.982717
  N       0.735948     -4.554955      4.779431
  C      -0.151117     -4.584937      3.683408
  C       0.273824     -5.261377      2.523665
  C      -0.561373     -5.331782      1.408884
  C      -1.797899     -4.706702      1.448115
  F      -2.598120     -4.830417      0.349082
  C      -2.263475     -4.022750      2.584629
  C      -3.580070     -3.349939      2.699705
  O      -4.133086     -3.248162      3.801454
  C      -4.200855     -2.663060      1.476683
  C      -4.297925     -1.176942      1.731628
  C      -5.529546     -0.502780      1.705240
  C      -5.579671      0.841575      2.058733
  N      -4.479934      1.542094      2.379093
  C      -3.255561      0.911814      2.324612
  C      -3.140543     -0.456355      2.040768
  C      -1.415523     -3.996723      3.715172
  C      -6.992844     -7.018525     13.147683
  C      -7.043213     -7.287170     11.654343
  O      -7.133194     -8.420339     11.184320
  N      -6.977311     -6.142704     10.890328
  C      -6.999705     -6.000418      9.490982
  C      -7.075672     -7.090036      8.602607
  C      -7.092385     -6.848012      7.230233
  C      -7.035926     -5.549373      6.742855
  F      -7.061191     -5.395881      5.391819
  C      -6.957021     -4.434776      7.595522
  C      -6.886678     -2.995385      7.189183
  O      -6.805497     -2.124660      8.059043
  C      -6.910040     -2.645082      5.709639
  C      -6.813627     -1.176220      5.423000
  C      -7.919930     -0.430650      4.992169
  C      -7.712918      0.914152      4.679833
  N      -6.538635      1.538748      4.763799
  C      -5.461739      0.839403      5.202807
  C      -5.589217     -0.531112      5.543599
  C      -6.940953     -4.704280      8.975576
  H     -11.169986      0.797705      5.240255
  H     -12.099589      0.723345      6.752592
  H     -12.412248      2.039984      5.580280
  H      -9.656010      0.585059      7.245363
  H      -7.627667      0.053779      8.087098
  H      -5.488183      0.774735      9.066229
  H      -6.791409      7.236467      7.994507
  H      -8.221445      6.226335      7.645066
  H      -8.336997      5.195238      5.453966
  H      -7.167589      3.925085      3.645216
  H      -4.467152      6.005081      7.227446
  H      -8.927463      4.154947      7.868919
  H       2.888584     -3.836035      6.292328
  H       1.863156     -3.184068      7.605350
  H       1.849773     -4.932524      7.229025
  H       1.505125     -5.217582      4.729110
  H       1.258459     -5.732512      2.494762
  H      -0.262212     -5.873229      0.511173
  H      -3.602741     -2.847797      0.576058
  H      -5.203818     -3.084567      1.307208
  H      -6.446762     -1.035024      1.453003
  H      -6.526588      1.377603      2.115961
  H      -2.170689     -0.954065      2.093178
  H      -1.767085     -3.488096      4.608409
  H      -7.069457     -7.972620     13.677987
  H      -6.049883     -6.524618     13.426184
  H      -7.819111     -6.362460     13.459599
  H      -6.908653     -5.268008     11.404223
  H      -7.120724     -8.103139      8.992410
  H      -7.149654     -7.674600      6.521333
  H      -7.820226     -3.079178      5.264974
  H      -6.070440     -3.168174      5.220665
  H      -8.904323     -0.889359      4.878221
  H      -8.552683      1.528768      4.331310
  H      -4.718394     -1.119799      5.828331
  H      -6.877897     -3.839597      9.640623
  N      -2.870068      4.491338      2.292853
  H      -3.189790      5.431314      2.537725
  H      -3.282813      4.238601      1.392550
  H      -1.857560      4.528280      2.156879
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.517679730106
  N      -3.214420      4.605689      5.070271
  Mo     -3.551949      2.921137      3.917926
  N      -4.251410      1.477977      5.236626
  C      -3.272183      0.819888      6.102790
  C      -2.203124      1.829415      6.433259
  N      -1.725328      2.463167      5.165692
  C      -1.049107      3.758830      5.464079
  C      -2.089189      4.766713      5.952818
  C      -0.801432      1.499013      4.475906
  C      -0.947886      1.607828      2.962125
  N      -2.332047      1.832876      2.636954
  H      -1.657616      5.784028      5.911167
  H      -2.358515      4.585978      7.010893
  H      -0.601114      4.111211      4.524382
  H      -0.241446      3.612378      6.203846
  H      -0.531921      0.707880      2.476650
  H      -0.362145      2.467469      2.589621
  H      -1.084643      0.489647      4.796875
  H       0.234498      1.675464      4.811197
  H      -3.733036      0.474831      7.044291
  H      -2.836921     -0.078949      5.622917
  H      -2.639996      2.611785      7.064605
  H      -1.353107      1.377877      6.973183
  C     -11.563276      1.331247      6.085028
  C     -10.539274      2.238400      6.743095
  O     -10.611520      3.467619      6.696511
  N      -9.534219      1.552959      7.383078
  C      -8.349776      2.048498      7.956714
  C      -7.359739      1.110980      8.293453
  C      -6.149439      1.532577      8.828259
  C      -5.930911      2.887941      9.042598
  F      -4.712287      3.273548      9.504856
  C      -6.897031      3.851508      8.723761
  C      -6.642248      5.315386      8.895516
  O      -6.022266      5.767345      9.850450
  C      -7.107446      6.218679      7.742052
  C      -6.476004      5.694076      6.476910
  C      -7.243116      5.138975      5.438859
  C      -6.605925      4.429307      4.423455
  N      -5.273352      4.304108      4.370500
  C      -4.507766      4.917972      5.336809
  C      -5.080088      5.604427      6.413244
  C      -8.111745      3.409258      8.171057
  C       1.839228     -3.844225      6.867901
  C       0.712473     -3.599197      5.880047
  O      -0.111747     -2.697205      6.022657
  N       0.709672     -4.478473      4.820412
  C      -0.155074     -4.511988      3.705761
  C       0.313099     -5.149582      2.540742
  C      -0.498476     -5.218680      1.408326
  C      -1.753792     -4.632217      1.435968
  F      -2.524749     -4.754586      0.315859
  C      -2.264250     -3.989064      2.577720
  C      -3.600591     -3.357827      2.684788
  O      -4.171663     -3.287957      3.780602
  C      -4.229008     -2.670809      1.466213
  C      -4.318146     -1.183581      1.718492
  C      -5.546631     -0.503487      1.689061
  C      -5.591888      0.842118      2.038602
  N      -4.489567      1.539074      2.357437
  C      -3.268359      0.903377      2.305619
  C      -3.158671     -0.466229      2.027379
  C      -1.437485     -3.964510      3.725263
  C      -7.041835     -7.013872     13.146779
  C      -7.095952     -7.285780     11.654098
  O      -7.196536     -8.419040     11.186473
  N      -7.019793     -6.143680     10.887496
  C      -7.041771     -6.004178      9.487854
  C      -7.129211     -7.095068      8.601660
  C      -7.145237     -6.855486      7.228869
  C      -7.076999     -5.558284      6.738907
  F      -7.103237     -5.406629      5.387813
  C      -6.985913     -4.442841      7.588951
  C      -6.902511     -3.006028      7.179567
  O      -6.816643     -2.133704      8.047683
  C      -6.929221     -2.656970      5.699861
  C      -6.825457     -1.188759      5.410002
  C      -7.929355     -0.441634      4.974981
  C      -7.719191      0.902451      4.660426
  N      -6.543340      1.524373      4.743443
  C      -5.468401      0.823807      5.183957
  C      -5.600317     -0.545436      5.530318
  C      -6.970896     -4.710082      8.969685
  H     -11.094059      0.744788      5.280209
  H     -11.992674      0.622350      6.808096
  H     -12.362505      1.947635      5.662160
  H      -9.546659      0.541777      7.271139
  H      -7.504820      0.046278      8.096795
  H      -5.367202      0.806967      9.052549
  H      -6.778750      7.238453      7.984131
  H      -8.203814      6.214451      7.655719
  H      -8.331635      5.189195      5.462556
  H      -7.172250      3.917014      3.646747
  H      -4.452012      5.996478      7.214834
  H      -8.880990      4.125019      7.897728
  H       2.820438     -3.741044      6.380472
  H       1.760751     -3.112581      7.677792
  H       1.779316     -4.858433      7.289610
  H       1.492572     -5.125395      4.776905
  H       1.312155     -5.589792      2.521320
  H      -0.165760     -5.729812      0.504664
  H      -3.639417     -2.855512      0.559952
  H      -5.235194     -3.087979      1.307194
  H      -6.466050     -1.031657      1.435998
  H      -6.537058      1.381363      2.093836
  H      -2.189790     -0.965410      2.083374
  H      -1.824115     -3.488216      4.621862
  H      -7.129616     -7.965540     13.679754
  H      -6.092717     -6.530776     13.423323
  H      -7.859979     -6.347086     13.457293
  H      -6.942741     -5.268486     11.399366
  H      -7.183651     -8.106905      8.993524
  H      -7.211416     -7.682880      6.521681
  H      -7.844467     -3.084401      5.259086
  H      -6.095966     -3.185509      5.205832
  H      -8.914597     -0.898148      4.859170
  H      -8.557620      1.518627      4.311696
  H      -4.731359     -1.133628      5.821838
  H      -6.898681     -3.844809      9.633047
  N      -2.881738      4.479191      2.279779
  H      -3.188539      5.423362      2.525450
  H      -3.305477      4.231126      1.383151
  H      -1.870264      4.505218      2.133371
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.518171647366
  N      -3.206970      4.577849      5.060442
  Mo     -3.547647      2.898751      3.906337
  N      -4.250149      1.454212      5.223801
  C      -3.273554      0.795127      6.091892
  C      -2.202183      1.802552      6.421940
  N      -1.723285      2.435259      5.154647
  C      -1.042886      3.728587      5.453165
  C      -2.080305      4.740301      5.940520
  C      -0.802660      1.467948      4.464732
  C      -0.946749      1.579368      2.950536
  N      -2.329173      1.811143      2.624294
  H      -1.647079      5.756753      5.894981
  H      -2.348683      4.563162      6.999417
  H      -0.592040      4.078908      4.514113
  H      -0.236745      3.579847      6.194107
  H      -0.534238      0.678307      2.464256
  H      -0.357010      2.437295      2.580380
  H      -1.090181      0.459370      4.784455
  H       0.233535      1.640204      4.801193
  H      -3.737116      0.453896      7.033365
  H      -2.842017     -0.106063      5.614232
  H      -2.636547      2.585514      7.054180
  H      -1.353017      1.348367      6.960952
  C     -11.521723      1.280268      6.145611
  C     -10.500303      2.200219      6.788825
  O     -10.587738      3.428351      6.740801
  N      -9.479006      1.528512      7.417463
  C      -8.294631      2.040703      7.976545
  C      -7.291340      1.116034      8.309805
  C      -6.081510      1.553923      8.833319
  C      -5.876851      2.912184      9.038510
  F      -4.658410      3.313889      9.488545
  C      -6.856557      3.862573      8.722898
  C      -6.614352      5.328890      8.886753
  O      -5.998795      5.790556      9.839617
  C      -7.088897      6.221597      7.729216
  C      -6.460967      5.690131      6.464915
  C      -7.231376      5.132873      5.431299
  C      -6.598302      4.417728      4.416534
  N      -5.266705      4.288182      4.361013
  C      -4.498120      4.900709      5.325597
  C      -5.065429      5.595703      6.398933
  C      -8.070137      3.405008      8.182153
  C       1.776574     -3.758162      6.915067
  C       0.663325     -3.522696      5.910026
  O      -0.176255     -2.634119      6.044400
  N       0.690498     -4.394900      4.845482
  C      -0.155808     -4.433506      3.716380
  C       0.351383     -5.032991      2.547720
  C      -0.440052     -5.104755      1.401473
  C      -1.713570     -4.559200      1.419128
  F      -2.459305     -4.684082      0.282109
  C      -2.264292     -3.955877      2.564251
  C      -3.620844     -3.369554      2.663501
  O      -4.205548     -3.327909      3.754051
  C      -4.254249     -2.680118      1.449909
  C      -4.331947     -1.192400      1.702449
  C      -5.555767     -0.503580      1.672893
  C      -5.592881      0.841869      2.024180
  N      -4.486584      1.531358      2.343841
  C      -3.269913      0.887324      2.290548
  C      -3.168371     -0.482453      2.012483
  C      -1.455285     -3.928176      3.725481
  C      -7.081481     -7.021574     13.147575
  C      -7.137403     -7.293695     11.655235
  O      -7.243401     -8.426565     11.187990
  N      -7.056431     -6.152463     10.888029
  C      -7.078433     -6.013672      9.488424
  C      -7.172201     -7.104672      8.602722
  C      -7.187998     -6.865513      7.230080
  C      -7.113433     -5.568894      6.739527
  F      -7.139896     -5.416994      5.388541
  C      -7.016214     -4.453579      7.588801
  C      -6.926927     -3.018067      7.178093
  O      -6.832853     -2.146481      8.046288
  C      -6.949770     -2.669492      5.698318
  C      -6.835916     -1.202004      5.405785
  C      -7.937004     -0.450781      4.970947
  C      -7.721843      0.892278      4.655457
  N      -6.543252      1.509711      4.734886
  C      -5.470461      0.804912      5.173416
  C      -5.607739     -0.563408      5.523251
  C      -7.001206     -4.720466      8.969710
  H     -11.058656      0.707541      5.327499
  H     -11.924603      0.559341      6.871820
  H     -12.339134      1.885815      5.742369
  H      -9.477726      0.517265      7.304259
  H      -7.427398      0.048646      8.120062
  H      -5.288475      0.839064      9.055878
  H      -6.763516      7.244405      7.963150
  H      -8.185547      6.212087      7.647796
  H      -8.319583      5.186081      5.458560
  H      -7.167784      3.904770      3.642670
  H      -4.434278      5.987893      7.197894
  H      -8.848099      4.112079      7.910775
  H       2.764153     -3.639797      6.444420
  H       1.675412     -3.032299      7.727562
  H       1.722371     -4.775542      7.329667
  H       1.486080     -5.026531      4.807630
  H       1.364176     -5.440612      2.536245
  H      -0.077335     -5.586832      0.493459
  H      -3.672925     -2.866801      0.538829
  H      -5.264691     -3.090105      1.301361
  H      -6.478899     -1.024378      1.418438
  H      -6.534763      1.386253      2.080326
  H      -2.201524     -0.985246      2.068756
  H      -1.873266     -3.482742      4.624251
  H      -7.176084     -7.972051     13.681369
  H      -6.128726     -6.545388     13.423331
  H      -7.894744     -6.348627     13.457327
  H      -6.975147     -5.277327     11.399367
  H      -7.231452     -8.115981      8.995014
  H      -7.258960     -7.692762      6.523259
  H      -7.869289     -3.088821      5.258788
  H      -6.121810     -3.205065      5.203070
  H      -8.924052     -0.903408      4.854923
  H      -8.558555      1.512105      4.309233
  H      -4.740989     -1.153625      5.816892
  H      -6.924257     -3.855395      9.632662
  N      -2.885166      4.451396      2.266720
  H      -3.178563      5.400418      2.510860
  H      -3.318115      4.208419      1.372915
  H      -1.874737      4.466751      2.110817
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.518690294216
  N      -3.202364      4.553955      5.048388
  Mo     -3.549284      2.880644      3.894360
  N      -4.246301      1.433775      5.211777
  C      -3.265450      0.775920      6.076870
  C      -2.192902      1.783784      6.401618
  N      -1.719603      2.415757      5.131259
  C      -1.035196      3.707894      5.427459
  C      -2.069579      4.721097      5.919869
  C      -0.802363      1.447598      4.437256
  C      -0.953058      1.561270      2.922787
  N      -2.337234      1.795019      2.604764
  H      -1.638806      5.738191      5.868427
  H      -2.330867      4.546265      6.980916
  H      -0.588394      4.058256      4.486453
  H      -0.226173      3.557053      6.164621
  H      -0.545053      0.659436      2.434270
  H      -0.364024      2.418589      2.550108
  H      -1.091074      0.438999      4.755069
  H       0.234928      1.617012      4.771322
  H      -3.726064      0.436493      7.020418
  H      -2.836535     -0.125528      5.598276
  H      -2.624737      2.567020      7.035251
  H      -1.341605      1.328568      6.936313
  C     -11.471490      1.235775      6.198455
  C     -10.451055      2.165174      6.828958
  O     -10.550213      3.392603      6.780159
  N      -9.416099      1.503780      7.446370
  C      -8.232686      2.029200      7.995855
  C      -7.219057      1.115333      8.327162
  C      -6.010827      1.566621      8.845256
  C      -5.818540      2.927137      9.044721
  F      -4.601566      3.341303      9.487378
  C      -6.809429      3.866764      8.731079
  C      -6.579196      5.335652      8.892111
  O      -5.965601      5.803631      9.843084
  C      -7.064286      6.220902      7.732967
  C      -6.445199      5.684278      6.466186
  C      -7.223328      5.126644      5.439665
  C      -6.597491      4.405915      4.423508
  N      -5.267614      4.271364      4.360208
  C      -4.491197      4.883123      5.318761
  C      -5.050059      5.585363      6.391916
  C      -8.020349      3.396296      8.197143
  C       1.720082     -3.666820      6.959534
  C       0.622265     -3.441651      5.935200
  O      -0.231290     -2.564366      6.055794
  N       0.678795     -4.310311      4.869031
  C      -0.148916     -4.353845      3.726242
  C       0.392243     -4.916211      2.554519
  C      -0.383250     -4.992319      1.397715
  C      -1.673763     -4.487451      1.407269
  F      -2.398490     -4.617632      0.257261
  C      -2.257900     -3.921084      2.555047
  C      -3.632870     -3.378198      2.651118
  O      -4.226758     -3.367062      3.737864
  C      -4.279217     -2.694316      1.442252
  C      -4.348855     -1.205474      1.690582
  C      -5.572177     -0.515026      1.665217
  C      -5.605488      0.830888      2.015234
  N      -4.497086      1.519152      2.329156
  C      -3.281069      0.874047      2.270980
  C      -3.182830     -0.496743      1.994161
  C      -1.463039     -3.889147      3.726184
  C      -7.165630     -7.023640     13.151758
  C      -7.209171     -7.299401     11.659724
  O      -7.314652     -8.432982     11.193794
  N      -7.117604     -6.160129     10.890409
  C      -7.126509     -6.024589      9.490399
  C      -7.216656     -7.117463      8.606038
  C      -7.219084     -6.881303      7.232980
  C      -7.134834     -5.585995      6.740062
  F      -7.148421     -5.436618      5.388694
  C      -7.041144     -4.468942      7.587682
  C      -6.943413     -3.035152      7.173704
  O      -6.858002     -2.161770      8.041778
  C      -6.951418     -2.689282      5.693060
  C      -6.832458     -1.222191      5.398378
  C      -7.933653     -0.470301      4.964818
  C      -7.718135      0.872099      4.647698
  N      -6.539059      1.489312      4.724337
  C      -5.466646      0.783740      5.162490
  C      -5.603313     -0.584408      5.513827
  C      -7.039625     -4.733036      8.969427
  H     -11.016232      0.676619      5.366551
  H     -11.849897      0.503628      6.926569
  H     -12.304771      1.832659      5.815103
  H      -9.404764      0.492616      7.331913
  H      -7.346487      0.045661      8.142827
  H      -5.209912      0.860326      9.068731
  H      -6.740775      7.246317      7.958597
  H      -8.161597      6.207834      7.661058
  H      -8.311163      5.183391      5.473603
  H      -7.174384      3.892752      3.655135
  H      -4.412571      5.978312      7.185578
  H      -8.805211      4.096083      7.926818
  H       2.714291     -3.537329      6.506003
  H       1.597750     -2.944059      7.771918
  H       1.668226     -4.685947      7.370258
  H       1.484944     -4.928892      4.839329
  H       1.417401     -5.291880      2.549209
  H       0.004671     -5.447183      0.485929
  H      -3.711971     -2.886843      0.523725
  H      -5.294161     -3.099605      1.313788
  H      -6.497774     -1.033914      1.415749
  H      -6.546273      1.377082      2.075217
  H      -2.215669     -0.999297      2.047787
  H      -1.907608     -3.473569      4.626889
  H      -7.270804     -7.971514     13.688197
  H      -6.212211     -6.552470     13.433963
  H      -7.977927     -6.344718     13.450941
  H      -7.037975     -5.283985     11.400341
  H      -7.283333     -8.127751      8.999825
  H      -7.286963     -7.709765      6.527139
  H      -7.870800     -3.103710      5.248396
  H      -6.122614     -3.228785      5.203855
  H      -8.921054     -0.922550      4.850372
  H      -8.554637      1.493518      4.303568
  H      -4.736899     -1.174657      5.809009
  H      -6.965481     -3.866829      9.631303
  N      -2.905974      4.429582      2.250693
  H      -3.188502      5.381495      2.497426
  H      -3.354062      4.190360      1.363204
  H      -1.898024      4.439043      2.078226
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.519223498874
  N      -3.194223      4.529391      5.029852
  Mo     -3.549061      2.859665      3.877848
  N      -4.240924      1.414969      5.200240
  C      -3.256217      0.755541      6.058947
  C      -2.180225      1.761662      6.377087
  N      -1.713715      2.392507      5.103138
  C      -1.025144      3.683758      5.395937
  C      -2.055105      4.699790      5.892735
  C      -0.800873      1.423055      4.405235
  C      -0.958937      1.536579      2.891311
  N      -2.344430      1.772485      2.582530
  H      -1.625545      5.716880      5.835025
  H      -2.309261      4.528267      6.956058
  H      -0.582987      4.032860      4.452270
  H      -0.212840      3.530185      6.128659
  H      -0.556375      0.632104      2.403142
  H      -0.369667      2.391330      2.513478
  H      -1.091709      0.414844      4.722652
  H       0.237477      1.589354      4.737073
  H      -3.712153      0.417382      7.005295
  H      -2.832265     -0.146356      5.577372
  H      -2.606912      2.546861      7.011517
  H      -1.326482      1.304812      6.906348
  C     -11.430456      1.196119      6.260567
  C     -10.409051      2.134953      6.874558
  O     -10.519070      3.361552      6.821661
  N      -9.362075      1.484159      7.481591
  C      -8.178647      2.021215      8.019858
  C      -7.157287      1.116430      8.350418
  C      -5.950034      1.578833      8.862089
  C      -5.766477      2.941559      9.053206
  F      -4.549981      3.364920      9.487620
  C      -6.765432      3.872397      8.738312
  C      -6.543199      5.343443      8.891679
  O      -5.931170      5.818792      9.840143
  C      -7.034739      6.220996      7.729870
  C      -6.424225      5.679523      6.460840
  C      -7.210476      5.122120      5.440912
  C      -6.592511      4.394828      4.423925
  N      -5.264182      4.253431      4.353992
  C      -4.480127      4.865162      5.305593
  C      -5.030021      5.575094      6.378620
  C      -7.975081      3.390960      8.212782
  C       1.665849     -3.566587      7.008115
  C       0.581502     -3.353434      5.967083
  O      -0.286909     -2.489393      6.075843
  N       0.667592     -4.216750      4.898720
  C      -0.142993     -4.265608      3.743946
  C       0.431025     -4.788728      2.569802
  C      -0.328607     -4.872126      1.403262
  C      -1.636068     -4.412272      1.405374
  F      -2.341715     -4.549889      0.244325
  C      -2.252074     -3.884243      2.554819
  C      -3.646261     -3.389359      2.644672
  O      -4.248944     -3.409429      3.726538
  C      -4.303501     -2.714118      1.437768
  C      -4.365678     -1.223662      1.679957
  C      -5.587992     -0.530930      1.657347
  C      -5.616633      0.815474      2.005070
  N      -4.505905      1.501785      2.314123
  C      -3.291162      0.854229      2.252478
  C      -3.196609     -0.517411      1.977030
  C      -1.471591     -3.844819      3.735304
  C      -7.245915     -7.042021     13.145417
  C      -7.277985     -7.315864     11.652954
  O      -7.382953     -8.448713     11.185074
  N      -7.176153     -6.176280     10.885405
  C      -7.172469     -6.039598      9.485559
  C      -7.259067     -7.131380      8.599610
  C      -7.248839     -6.894208      7.226916
  C      -7.155469     -5.599013      6.735644
  F      -7.157287     -5.448502      5.384311
  C      -7.064955     -4.482738      7.585086
  C      -6.959183     -3.048906      7.172098
  O      -6.884090     -2.176080      8.042096
  C      -6.954015     -2.702954      5.691996
  C      -6.831730     -1.235896      5.398590
  C      -7.933667     -0.481035      4.973256
  C      -7.717045      0.860538      4.655231
  N      -6.536071      1.475444      4.724202
  C      -5.463226      0.766441      5.156488
  C      -5.599635     -0.601366      5.507938
  C      -7.076390     -4.747747      8.966584
  H     -10.985382      0.646221      5.417099
  H     -11.785584      0.456433      6.992701
  H     -12.277750      1.784752      5.895690
  H      -9.344783      0.472665      7.370747
  H      -7.279840      0.045122      8.173212
  H      -5.143750      0.880046      9.089241
  H      -6.712410      7.248117      7.949362
  H      -8.132591      6.205721      7.665331
  H      -8.297782      5.183647      5.479982
  H      -7.176946      3.881589      3.661250
  H      -4.386569      5.968555      7.167158
  H      -8.766016      4.083864      7.942734
  H       2.665150     -3.423577      6.570267
  H       1.522137     -2.847738      7.820432
  H       1.619909     -4.587537      7.414854
  H       1.485028     -4.820606      4.876423
  H       1.468412     -5.128931      2.570291
  H       0.084081     -5.298274      0.488457
  H      -3.747812     -2.915841      0.514466
  H      -5.321815     -3.115610      1.326998
  H      -6.515903     -1.047896      1.413130
  H      -6.555397      1.364936      2.066770
  H      -2.230431     -1.021854      2.028166
  H      -1.941120     -3.460889      4.637561
  H      -7.360953     -7.989451     13.680449
  H      -6.292142     -6.576522     13.435639
  H      -8.056928     -6.358562     13.437556
  H      -7.097962     -5.300832     11.396749
  H      -7.332950     -8.141674      8.991991
  H      -7.313981     -7.721683      6.519674
  H      -7.872471     -3.114320      5.242354
  H      -6.123776     -3.244910      5.208412
  H      -8.922643     -0.931526      4.865699
  H      -8.553758      1.484568      4.316231
  H      -4.733120     -1.193851      5.798182
  H      -7.005062     -3.882396      9.629791
  N      -2.922403      4.402237      2.228000
  H      -3.194119      5.356543      2.478239
  H      -3.385771      4.167048      1.347229
  H      -1.917419      4.405493      2.038412
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.519767299491
  N      -3.185902      4.504069      5.013478
  Mo     -3.551778      2.838287      3.862043
  N      -4.240627      1.397218      5.187936
  C      -3.253236      0.732914      6.038941
  C      -2.171636      1.734369      6.351739
  N      -1.711284      2.364692      5.074320
  C      -1.016186      3.653826      5.364521
  C      -2.039468      4.673806      5.867507
  C      -0.804410      1.393257      4.371246
  C      -0.970170      1.507703      2.858235
  N      -2.356958      1.748158      2.558987
  H      -1.609078      5.690077      5.804917
  H      -2.286199      4.504645      6.932976
  H      -0.579354      4.001905      4.417990
  H      -0.200210      3.495011      6.091775
  H      -0.574870      0.599778      2.370395
  H      -0.379256      2.358550      2.474531
  H      -1.098776      0.385488      4.687388
  H       0.235377      1.554299      4.700933
  H      -3.704128      0.394581      6.987787
  H      -2.835225     -0.168984      5.552389
  H      -2.591762      2.521890      6.987567
  H      -1.316131      1.274079      6.874928
  C     -11.392296      1.173030      6.323720
  C     -10.367592      2.118617      6.921930
  O     -10.487478      3.344607      6.869809
  N      -9.307786      1.474795      7.512696
  C      -8.122387      2.018875      8.038909
  C      -7.093864      1.120122      8.361893
  C      -5.886187      1.589850      8.866273
  C      -5.708698      2.954082      9.055698
  F      -4.492001      3.382746      9.482859
  C      -6.714472      3.879364      8.745110
  C      -6.500006      5.352743      8.893389
  O      -5.886869      5.834834      9.837989
  C      -7.000115      6.223320      7.730418
  C      -6.401071      5.676184      6.458739
  C      -7.197048      5.120276      5.445190
  C      -6.588371      4.386702      4.426996
  N      -5.261380      4.236714      4.349983
  C      -4.468328      4.847163      5.294452
  C      -5.008294      5.564031      6.368269
  C      -7.924891      3.390291      8.228214
  C       1.594812     -3.465129      7.074451
  C       0.526468     -3.264858      6.014465
  O      -0.357944     -2.415487      6.109889
  N       0.645253     -4.122837      4.944697
  C      -0.146217     -4.177972      3.776915
  C       0.460557     -4.661662      2.602412
  C      -0.281416     -4.754495      1.425396
  C      -1.604676     -4.341339      1.417583
  F      -2.290305     -4.488688      0.245886
  C      -2.252230     -3.850626      2.566520
  C      -3.665005     -3.404936      2.646107
  O      -4.276659     -3.455908      3.721843
  C      -4.330779     -2.739028      1.438668
  C      -4.386907     -1.246305      1.673846
  C      -5.609245     -0.553100      1.654569
  C      -5.634383      0.793760      1.999047
  N      -4.521352      1.479904      2.301276
  C      -3.306868      0.831960      2.235352
  C      -3.215243     -0.541229      1.962496
  C      -1.488215     -3.802287      3.757057
  C      -7.302682     -7.061450     13.127190
  C      -7.320924     -7.333850     11.634166
  O      -7.416565     -8.466788     11.164482
  N      -7.217815     -6.192877     10.868686
  C      -7.202523     -6.054534      9.469058
  C      -7.276608     -7.145560      8.581554
  C      -7.255416     -6.907219      7.209093
  C      -7.163317     -5.611378      6.719660
  F      -7.154018     -5.460387      5.368388
  C      -7.085290     -4.495200      7.571231
  C      -6.982816     -3.060057      7.160124
  O      -6.917968     -2.187296      8.031456
  C      -6.959814     -2.714603      5.680613
  C      -6.836119     -1.247469      5.390709
  C      -7.938339     -0.488846      4.973595
  C      -7.720305      0.852418      4.657123
  N      -6.537239      1.464094      4.721063
  C      -5.464452      0.750966      5.147596
  C      -5.601307     -0.616824      5.496452
  C      -7.107582     -4.761277      8.952284
  H     -10.960350      0.634821      5.466040
  H     -11.722764      0.423660      7.057580
  H     -12.253604      1.755159      5.981928
  H      -9.287751      0.463236      7.403433
  H      -7.213332      0.048290      8.186611
  H      -5.075651      0.896286      9.092045
  H      -6.678345      7.252172      7.942280
  H      -8.098740      6.206176      7.675942
  H      -8.283797      5.187906      5.488645
  H      -7.181406      3.874799      3.669919
  H      -4.358367      5.956678      7.151934
  H      -8.722332      4.077676      7.963286
  H       2.599648     -3.307525      6.654703
  H       1.427147     -2.750470      7.885905
  H       1.555383     -4.487697      7.477774
  H       1.474010     -4.711319      4.932553
  H       1.509269     -4.964946      2.610784
  H       0.156407     -5.152000      0.509329
  H      -3.784913     -2.951305      0.512277
  H      -5.351646     -3.137173      1.343001
  H      -6.538670     -1.070275      1.416947
  H      -6.571546      1.346063      2.062360
  H      -2.250366     -1.048264      2.010275
  H      -1.981604     -3.451000      4.659739
  H      -7.420039     -8.009564     13.660454
  H      -6.352517     -6.593886     13.425883
  H      -8.117735     -6.379941     13.412631
  H      -7.148012     -5.317671     11.381618
  H      -7.349589     -8.156524      8.972497
  H      -7.310906     -7.734176      6.500405
  H      -7.874252     -3.125825      5.222432
  H      -6.124766     -3.256760      5.205890
  H      -8.928886     -0.937395      4.872878
  H      -8.556583      1.479568      4.322625
  H      -4.735132     -1.212599      5.781353
  H      -7.046118     -3.896267      9.616936
  N      -2.937091      4.377219      2.207253
  H      -3.197913      5.332694      2.464707
  H      -3.416949      4.147391      1.333914
  H      -1.935592      4.373569      2.000120
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.520320308829
  N      -3.176316      4.478878      4.995095
  Mo     -3.552735      2.817980      3.841078
  N      -4.236170      1.378219      5.169728
  C      -3.245412      0.708078      6.011409
  C      -2.157978      1.704680      6.319379
  N      -1.705589      2.337007      5.039601
  C      -1.005330      3.624222      5.327747
  C      -2.022141      4.646007      5.839518
  C      -0.805373      1.365205      4.328818
  C      -0.979505      1.483175      2.817626
  N      -2.367477      1.727801      2.527907
  H      -1.590533      5.661496      5.773501
  H      -2.260308      4.477241      6.907004
  H      -0.574448      3.972719      4.378664
  H      -0.184948      3.460591      6.048852
  H      -0.590321      0.573842      2.327316
  H      -0.388036      2.331826      2.430175
  H      -1.101375      0.357362      4.643619
  H       0.236419      1.521920      4.654352
  H      -3.689655      0.367999      6.962710
  H      -2.833546     -0.193206      5.518626
  H      -2.570590      2.492900      6.959398
  H      -1.299764      1.240785      6.834601
  C     -11.357607      1.145711      6.391610
  C     -10.330159      2.097899      6.975231
  O     -10.458164      3.323120      6.923082
  N      -9.258695      1.460455      7.550647
  C      -8.071036      2.010159      8.064444
  C      -7.036249      1.116027      8.380619
  C      -5.827807      1.592356      8.876097
  C      -5.654729      2.957953      9.062619
  F      -4.437808      3.392144      9.483025
  C      -6.665552      3.878390      8.755972
  C      -6.456461      5.353314      8.897208
  O      -5.842616      5.842010      9.838016
  C      -6.964206      6.217936      7.733664
  C      -6.376193      5.667013      6.458836
  C      -7.181191      5.113303      5.450233
  C      -6.582280      4.376436      4.429041
  N      -5.256126      4.219674      4.344296
  C      -4.454924      4.827788      5.283164
  C      -4.984917      5.548535      6.359679
  C      -7.877773      3.383136      8.248208
  C       1.522577     -3.355258      7.139161
  C       0.470611     -3.170129      6.060404
  O      -0.429071     -2.335264      6.141516
  N       0.622349     -4.024114      4.991444
  C      -0.149496     -4.087771      3.810694
  C       0.489093     -4.533548      2.638303
  C      -0.233697     -4.636770      1.450199
  C      -1.570552     -4.269962      1.430362
  F      -2.234836     -4.427584      0.247905
  C      -2.249503     -3.815571      2.576697
  C      -3.678488     -3.419019      2.643479
  O      -4.298780     -3.500612      3.712213
  C      -4.352570     -2.761891      1.435295
  C      -4.404581     -1.266737      1.662984
  C      -5.626902     -0.572942      1.648561
  C      -5.648958      0.774513      1.989155
  N      -4.533410      1.460947      2.283138
  C      -3.319764      0.812318      2.212150
  C      -3.230611     -0.562024      1.941975
  C      -1.503156     -3.757576      3.777841
  C      -7.370134     -7.076798     13.112233
  C      -7.374183     -7.348382     11.618803
  O      -7.463023     -8.481347     11.148091
  N      -7.266480     -6.206709     10.855118
  C      -7.238170     -6.067239      9.455719
  C      -7.301796     -7.157524      8.567284
  C      -7.267953     -6.918514      7.194962
  C      -7.173418     -5.622465      6.707116
  F      -7.152117     -5.471534      5.355998
  C      -7.105291     -4.506550      7.560278
  C      -7.000907     -3.070652      7.151358
  O      -6.953792     -2.197461      8.023251
  C      -6.963083     -2.725740      5.672439
  C      -6.838649     -1.258623      5.384888
  C      -7.941447     -0.495629      4.978204
  C      -7.721976      0.845806      4.664138
  N      -6.536200      1.453055      4.720297
  C      -5.462200      0.735636      5.136669
  C      -5.600743     -0.632393      5.483376
  C      -7.140620     -4.773065      8.940762
  H     -10.937749      0.618694      5.521142
  H     -11.664910      0.386990      7.125885
  H     -12.231589      1.721438      6.071888
  H      -9.237022      0.448639      7.444425
  H      -7.154696      0.043678      8.207360
  H      -5.012820      0.903974      9.099714
  H      -6.642232      7.247874      7.939620
  H      -8.063429      6.199445      7.687906
  H      -8.267418      5.185647      5.498546
  H      -7.182698      3.866750      3.676288
  H      -4.328712      5.939208      7.139058
  H      -8.680948      4.065609      7.987496
  H       2.532488     -3.183759      6.737492
  H       1.330558     -2.643114      7.947440
  H       1.490557     -4.378168      7.542174
  H       1.462236     -4.596703      4.991451
  H       1.547649     -4.799804      2.656694
  H       0.229138     -5.006393      0.534809
  H      -3.814732     -2.982616      0.506487
  H      -5.374577     -3.158784      1.351660
  H      -6.557627     -1.091072      1.418458
  H      -6.584814      1.328723      2.055305
  H      -2.267044     -1.071424      1.985446
  H      -2.019096     -3.438020      4.679450
  H      -7.492574     -8.025491     13.643309
  H      -6.422906     -6.609512     13.420514
  H      -8.187403     -6.395207     13.391013
  H      -7.203223     -5.331769     11.369291
  H      -7.376847     -8.168749      8.957224
  H      -7.315424     -7.745094      6.485317
  H      -7.872555     -3.139200      5.206243
  H      -6.123068     -3.267137      5.205755
  H      -8.934110     -0.941442      4.886358
  H      -8.558787      1.476344      4.337550
  H      -4.734652     -1.231611      5.760912
  H      -7.086995     -3.908357      9.606444
  N      -2.950624      4.358204      2.183880
  H      -3.200956      5.313746      2.451109
  H      -3.447075      4.135782      1.317913
  H      -1.953018      4.348063      1.959052
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.520898768052
  N      -3.165753      4.454709      4.977341
  Mo     -3.555419      2.800548      3.816986
  N      -4.233243      1.359862      5.145797
  C      -3.238801      0.680697      5.975589
  C      -2.144264      1.670736      6.280395
  N      -1.700509      2.307985      4.999864
  C      -0.994154      3.592057      5.287036
  C      -2.002843      4.615025      5.810893
  C      -0.809178      1.336590      4.278038
  C      -0.992702      1.462514      2.769291
  N      -2.381932      1.712898      2.489511
  H      -1.567881      5.629075      5.743045
  H      -2.231295      4.444673      6.880243
  H      -0.569407      3.942285      4.335856
  H      -0.168767      3.422614      6.001124
  H      -0.610026      0.553976      2.272297
  H      -0.400956      2.310492      2.380878
  H      -1.106206      0.328360      4.590747
  H       0.235580      1.488111      4.596954
  H      -3.675226      0.336164      6.928754
  H      -2.834406     -0.218843      5.473573
  H      -2.547577      2.457599      6.928317
  H      -1.283330      1.201099      6.785457
  C     -11.321913      1.125622      6.453299
  C     -10.291103      2.082033      7.025186
  O     -10.426330      3.306581      6.979564
  N      -9.207762      1.447864      7.581504
  C      -8.016967      1.999814      8.083690
  C      -6.975771      1.107679      8.387044
  C      -5.765585      1.587636      8.872870
  C      -5.595525      2.953642      9.062742
  F      -4.377540      3.391876      9.476546
  C      -6.610773      3.871379      8.766273
  C      -6.406309      5.347031      8.905005
  O      -5.789872      5.839363      9.842079
  C      -6.923683      6.209176      7.744084
  C      -6.348273      5.656959      6.464456
  C      -7.162829      5.107512      5.459936
  C      -6.575450      4.369555      4.433722
  N      -5.249965      4.206146      4.339918
  C      -4.439998      4.809683      5.274245
  C      -4.958643      5.531747      6.355470
  C      -7.826386      3.373229      8.267506
  C       1.420666     -3.253181      7.230780
  C       0.389455     -3.080627      6.130411
  O      -0.522027     -2.256832      6.194382
  N       0.575426     -3.930969      5.063851
  C      -0.171663     -4.001857      3.866980
  C       0.501588     -4.410639      2.700947
  C      -0.196039     -4.520773      1.498125
  C      -1.543529     -4.197127      1.459719
  F      -2.180804     -4.359402      0.263335
  C      -2.257636     -3.780284      2.599559
  C      -3.699892     -3.430668      2.645877
  O      -4.333546     -3.543760      3.703792
  C      -4.377137     -2.781809      1.434088
  C      -4.426223     -1.284031      1.651457
  C      -5.648548     -0.589611      1.642557
  C      -5.667988      0.758974      1.977346
  N      -4.549706      1.446621      2.260661
  C      -3.337279      0.797285      2.183920
  C      -3.250357     -0.578209      1.918278
  C      -1.534538     -3.714579      3.814536
  C      -7.406059     -7.091332     13.090710
  C      -7.398385     -7.362739     11.596957
  O      -7.474965     -8.496341     11.125929
  N      -7.294498     -6.220032     10.834531
  C      -7.257241     -6.079630      9.435266
  C      -7.306457     -7.169723      8.546393
  C      -7.264510     -6.930006      7.174059
  C      -7.175739     -5.633209      6.687431
  F      -7.146618     -5.482292      5.336567
  C      -7.121799     -4.517306      7.541568
  C      -7.024195     -3.080290      7.135081
  O      -6.993804     -2.206668      8.006895
  C      -6.969362     -2.735483      5.656720
  C      -6.844350     -1.268136      5.372052
  C      -7.946954     -0.500117      4.974780
  C      -7.725241      0.842297      4.665474
  N      -6.536703      1.444259      4.715907
  C      -5.461653      0.722482      5.120981
  C      -5.603842     -0.646444      5.464315
  C      -7.165465     -4.784334      8.921523
  H     -10.914899      0.614221      5.567590
  H     -11.604861      0.354014      7.183861
  H     -12.208697      1.695829      6.159981
  H      -9.185229      0.436085      7.475113
  H      -7.095125      0.035752      8.210227
  H      -4.945291      0.903109      9.087966
  H      -6.600215      7.239511      7.945533
  H      -8.023431      6.190119      7.708347
  H      -8.248502      5.184366      5.514517
  H      -7.182980      3.863576      3.684268
  H      -4.295287      5.918113      7.130922
  H      -8.635222      4.052378      8.015152
  H       2.437061     -3.071443      6.850451
  H       1.203893     -2.542168      8.033818
  H       1.391957     -4.275576      7.635309
  H       1.424492     -4.489559      5.080390
  H       1.567934     -4.641989      2.735244
  H       0.294765     -4.861906      0.586349
  H      -3.843245     -3.010458      0.504777
  H      -5.399314     -3.178562      1.357377
  H      -6.580361     -1.109905      1.421754
  H      -6.603045      1.313957      2.047560
  H      -2.287801     -1.089297      1.956625
  H      -2.074658     -3.425141      4.711974
  H      -7.526731     -8.041471     13.619713
  H      -6.463822     -6.618900     13.406376
  H      -8.228489     -6.414380     13.365538
  H      -7.241441     -5.344919     11.349503
  H      -7.377080     -8.181539      8.935719
  H      -7.301090     -7.756670      6.463932
  H      -7.871218     -3.153150      5.179503
  H      -6.122597     -3.274519      5.199398
  H      -8.941792     -0.942479      4.889610
  H      -8.562470      1.476562      4.347684
  H      -4.738127     -1.249374      5.734768
  H      -7.122880     -3.919528      9.587872
  N      -2.963737      4.348279      2.160822
  H      -3.202781      5.302557      2.442002
  H      -3.477818      4.136414      1.302555
  H      -1.970538      4.331197      1.917990
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.521494248203
  N      -3.153914      4.425154      4.965908
  Mo     -3.556020      2.780264      3.795894
  N      -4.231057      1.334961      5.119942
  C      -3.233459      0.645493      5.938423
  C      -2.132576      1.628644      6.243340
  N      -1.695151      2.273654      4.964730
  C      -0.982849      3.553366      5.254350
  C      -1.984213      4.576308      5.790903
  C      -0.811814      1.304245      4.230814
  C      -1.002801      1.443296      2.724158
  N      -2.392913      1.700407      2.452144
  H      -1.545072      5.588853      5.724411
  H      -2.205100      4.401657      6.861147
  H      -0.561894      3.907338      4.302899
  H      -0.153769      3.377777      5.962837
  H      -0.625927      0.538437      2.216145
  H      -0.410708      2.292993      2.340033
  H      -1.109179      0.294747      4.539075
  H       0.235716      1.450684      4.543501
  H      -3.663935      0.295272      6.892004
  H      -2.836552     -0.251387      5.426358
  H      -2.527375      2.411533      6.901603
  H      -1.270104      1.151290      6.738291
  C     -11.282476      1.093650      6.508638
  C     -10.250638      2.054427      7.071891
  O     -10.392695      3.278190      7.033792
  N      -9.155418      1.424071      7.610043
  C      -7.962488      1.979973      8.101489
  C      -6.913934      1.090871      8.392301
  C      -5.702487      1.575428      8.868848
  C      -5.537150      2.941575      9.062291
  F      -4.318150      3.385539      9.468906
  C      -6.558048      3.855607      8.776895
  C      -6.359183      5.331730      8.915425
  O      -5.740539      5.826389      9.849419
  C      -6.886627      6.192282      7.757397
  C      -6.321975      5.639220      6.473526
  C      -7.143993      5.095291      5.471742
  C      -6.566600      4.357935      4.440012
  N      -5.242024      4.189063      4.338435
  C      -4.424669      4.785925      5.270798
  C      -4.933529      5.507295      6.356791
  C      -7.776073      3.353701      8.286550
  C       1.331309     -3.140587      7.300844
  C       0.320375     -2.981870      6.179982
  O      -0.604915     -2.172204      6.228098
  N       0.541152     -3.827091      5.116329
  C      -0.181562     -3.906350      3.904279
  C       0.525029     -4.274356      2.744935
  C      -0.148442     -4.389454      1.528301
  C      -1.505273     -4.111768      1.472077
  F      -2.115276     -4.275013      0.261792
  C      -2.253788     -3.738445      2.605475
  C      -3.707098     -3.440415      2.634274
  O      -4.350162     -3.584746      3.682864
  C      -4.391868     -2.798003      1.423222
  C      -4.441242     -1.299002      1.632969
  C      -5.664389     -0.605154      1.633101
  C      -5.682960      0.744265      1.965028
  N      -4.562909      1.434072      2.237872
  C      -3.351484      0.785235      2.152508
  C      -3.264984     -0.590137      1.888359
  C      -1.552462     -3.665683      3.833209
  C      -7.454929     -7.084764     13.088350
  C      -7.439203     -7.360861     11.595278
  O      -7.509280     -8.496120     11.127364
  N      -7.336140     -6.220020     10.830140
  C      -7.292185     -6.083431      9.430553
  C      -7.333292     -7.176172      8.544469
  C      -7.285067     -6.939907      7.171554
  C      -7.197695     -5.643987      6.681994
  F      -7.162932     -5.496397      5.331101
  C      -7.151607     -4.525934      7.533205
  C      -7.055662     -3.090034      7.124408
  O      -7.038545     -2.213655      7.993655
  C      -6.984655     -2.748284      5.645807
  C      -6.854397     -1.281384      5.360223
  C      -7.955572     -0.507400      4.970507
  C      -7.729331      0.835472      4.664042
  N      -6.537497      1.430941      4.708496
  C      -5.462475      0.704179      5.102825
  C      -5.610847     -0.665393      5.444551
  C      -7.201945     -4.789504      8.913643
  H     -10.886121      0.599837      5.608204
  H     -11.541649      0.308327      7.233263
  H     -12.181564      1.657209      6.240889
  H      -9.129205      0.412483      7.501713
  H      -7.032854      0.019182      8.211945
  H      -4.875662      0.895261      9.074036
  H      -6.561264      7.222948      7.954387
  H      -7.986643      6.173234      7.731002
  H      -8.229118      5.176583      5.532498
  H      -7.179369      3.856477      3.691883
  H      -4.263724      5.887999      7.129525
  H      -8.590402      4.029519      8.042545
  H       2.352966     -2.945631      6.941563
  H       1.088522     -2.432324      8.098891
  H       1.308463     -4.162922      7.705986
  H       1.400348     -4.369264      5.148177
  H       1.598170     -4.468570      2.794834
  H       0.369323     -4.698613      0.620097
  H      -3.863223     -3.028889      0.491099
  H      -5.413314     -3.197334      1.354870
  H      -6.597014     -1.127904      1.421218
  H      -6.618295      1.297769      2.042263
  H      -2.301466     -1.099521      1.920338
  H      -2.116351     -3.408602      4.726057
  H      -7.576992     -8.033969     13.618873
  H      -6.515016     -6.610315     13.407963
  H      -8.279277     -6.408135     13.358162
  H      -7.288804     -5.343278     11.342895
  H      -7.402789     -8.187157      8.936197
  H      -7.315622     -7.768696      6.463633
  H      -7.880673     -3.167109      5.158684
  H      -6.133941     -3.288371      5.197035
  H      -8.953276     -0.944551      4.890888
  H      -8.566163      1.474348      4.354962
  H      -4.746197     -1.272400      5.709245
  H      -7.165536     -3.922791      9.577922
  N      -2.970532      4.340540      2.145831
  H      -3.197789      5.293154      2.441689
  H      -3.500242      4.141483      1.294068
  H      -1.981390      4.316546      1.887846
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.522094997465
  N      -3.144122      4.403131      4.958467
  Mo     -3.555971      2.769534      3.773820
  N      -4.220608      1.313082      5.091049
  C      -3.215010      0.613634      5.892756
  C      -2.110971      1.592880      6.199139
  N      -1.684914      2.251425      4.924383
  C      -0.970854      3.527976      5.218207
  C      -1.967135      4.545648      5.772686
  C      -0.808837      1.288867      4.173556
  C      -1.010484      1.445972      2.670131
  N      -2.402533      1.706579      2.408910
  H      -1.526079      5.557978      5.710213
  H      -2.177743      4.362178      6.843581
  H      -0.555539      3.889558      4.267156
  H      -0.136186      3.348552      5.919488
  H      -0.637018      0.549222      2.145552
  H      -0.421954      2.301631      2.293765
  H      -1.102251      0.276827      4.476216
  H       0.241935      1.433254      4.476749
  H      -3.636258      0.251348      6.845567
  H      -2.825014     -0.276380      5.365132
  H      -2.497509      2.366940      6.872851
  H      -1.244588      1.107933      6.679714
  C     -11.237924      1.045623      6.556810
  C     -10.205976      2.008812      7.115094
  O     -10.356273      3.231656      7.092551
  N      -9.096548      1.381830      7.629447
  C      -7.902434      1.943039      8.111623
  C      -6.843805      1.058335      8.383347
  C      -5.631539      1.547103      8.851739
  C      -5.474450      2.912380      9.056788
  F      -4.254991      3.363565      9.457453
  C      -6.504094      3.821457      8.789616
  C      -6.314211      5.297424      8.936583
  O      -5.693592      5.790467      9.869503
  C      -6.855582      6.160211      7.785755
  C      -6.299578      5.612904      6.495444
  C      -7.127746      5.074035      5.496756
  C      -6.559550      4.342202      4.456065
  N      -5.235660      4.174066      4.344041
  C      -4.412088      4.764559      5.275351
  C      -4.911413      5.480442      6.368502
  C      -7.723384      3.315981      8.306163
  C       1.244965     -3.027094      7.364252
  C       0.252747     -2.879878      6.225478
  O      -0.671633     -2.068187      6.250898
  N       0.489573     -3.736123      5.175284
  C      -0.213506     -3.828162      3.951471
  C       0.518815     -4.176333      2.802646
  C      -0.133761     -4.297287      1.574600
  C      -1.494478     -4.047740      1.499620
  F      -2.081180     -4.210158      0.277623
  C      -2.270756     -3.701106      2.622943
  C      -3.729122     -3.437550      2.630635
  O      -4.387013     -3.607779      3.666872
  C      -4.411848     -2.797084      1.417961
  C      -4.456458     -1.296966      1.613898
  C      -5.678892     -0.601114      1.621875
  C      -5.695769      0.749783      1.948550
  N      -4.574019      1.441031      2.210598
  C      -3.364838      0.790446      2.117024
  C      -3.279132     -0.584616      1.855790
  C      -1.588318     -3.617668      3.861657
  C      -7.530369     -7.056311     13.092384
  C      -7.491257     -7.342736     11.601709
  O      -7.543451     -8.481937     11.140896
  N      -7.389176     -6.206664     10.829737
  C      -7.326352     -6.080035      9.429851
  C      -7.344742     -7.179876      8.550902
  C      -7.278934     -6.952478      7.177287
  C      -7.195898     -5.658878      6.679999
  F      -7.143887     -5.518906      5.329052
  C      -7.172202     -4.534996      7.523247
  C      -7.082592     -3.102095      7.106109
  O      -7.093124     -2.219090      7.969244
  C      -6.979821     -2.767673      5.627275
  C      -6.847255     -1.300990      5.339198
  C      -7.948003     -0.525384      4.951023
  C      -7.721081      0.819505      4.650949
  N      -6.529055      1.413531      4.695288
  C      -5.452852      0.685387      5.081407
  C      -5.603973     -0.685600      5.421230
  C      -7.240505     -4.789781      8.904883
  H     -10.853662      0.576937      5.637882
  H     -11.469742      0.241585      7.269863
  H     -12.150546      1.601654      6.320818
  H      -9.063298      0.371084      7.513716
  H      -6.960743     -0.012039      8.193542
  H      -4.796465      0.871136      9.040201
  H      -6.530950      7.191343      7.982240
  H      -7.955509      6.138026      7.768874
  H      -8.212384      5.155338      5.567681
  H      -7.175621      3.844087      3.708648
  H      -4.234764      5.855434      7.138023
  H      -8.544363      3.988513      8.075351
  H       2.273377     -2.840982      7.019633
  H       0.991444     -2.307152      8.148382
  H       1.212082     -4.043499      7.783503
  H       1.350264     -4.274483      5.225930
  H       1.594996     -4.347131      2.869320
  H       0.405088     -4.588561      0.672820
  H      -3.884971     -3.033602      0.485406
  H      -5.434034     -3.194805      1.354821
  H      -6.613271     -1.124991      1.420160
  H      -6.631683      1.301106      2.032113
  H      -2.313596     -1.090102      1.882214
  H      -2.171353     -3.374683      4.746733
  H      -7.652836     -8.003112     13.627233
  H      -6.598621     -6.572899     13.422364
  H      -8.363231     -6.384200     13.346833
  H      -7.357665     -5.325799     11.336670
  H      -7.410743     -8.188703      8.948635
  H      -7.292163     -7.786628      6.475132
  H      -7.861997     -3.192200      5.120271
  H      -6.118500     -3.306709      5.197600
  H      -8.946516     -0.960013      4.869973
  H      -8.559189      1.459717      4.348379
  H      -4.738854     -1.292958      5.684064
  H      -7.221716     -3.918165      9.563482
  N      -2.984457      4.351071      2.133174
  H      -3.201357      5.300290      2.447012
  H      -3.530207      4.167194      1.288225
  H      -1.999866      4.323974      1.858966
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.522684918058
  N      -3.131962      4.372452      4.944510
  Mo     -3.555921      2.749768      3.750751
  N      -4.213659      1.285422      5.061852
  C      -3.201669      0.576770      5.848474
  C      -2.093356      1.551014      6.153835
  N      -1.676515      2.220041      4.881529
  C      -0.958010      3.492778      5.180191
  C      -1.948064      4.508446      5.749668
  C      -0.807184      1.263460      4.115698
  C      -1.020276      1.436104      2.615208
  N      -2.414239      1.699836      2.365875
  H      -1.506304      5.520589      5.690113
  H      -2.150237      4.318154      6.821019
  H      -0.548725      3.860944      4.229042
  H      -0.118709      3.306555      5.874051
  H      -0.651974      0.544438      2.078505
  H      -0.434239      2.295248      2.243199
  H      -1.099179      0.248792      4.410943
  H       0.245824      1.404175      4.412564
  H      -3.615389      0.207459      6.801830
  H      -2.818605     -0.309229      5.309145
  H      -2.471932      2.319721      6.838059
  H      -1.224664      1.058495      6.622169
  C     -11.195742      1.001102      6.621961
  C     -10.160893      1.967839      7.167748
  O     -10.318904      3.189946      7.152878
  N      -9.039906      1.345646      7.662347
  C      -7.843992      1.912876      8.132991
  C      -6.778385      1.033118      8.392661
  C      -5.564337      1.526774      8.851805
  C      -5.412591      2.892165      9.059103
  F      -4.191855      3.348070      9.450658
  C      -6.449287      3.796540      8.802877
  C      -6.264622      5.273191      8.951085
  O      -5.641466      5.767447      9.881549
  C      -6.816670      6.134780      7.804216
  C      -6.272163      5.588406      6.508556
  C      -7.109381      5.055424      5.515028
  C      -6.550938      4.325195      4.467453
  N      -5.228907      4.153259      4.344817
  C      -4.396552      4.736857      5.272105
  C      -4.885378      5.451302      6.370920
  C      -7.669909      3.286265      8.328810
  C       1.154738     -2.907847      7.427124
  C       0.186242     -2.774843      6.266346
  O      -0.751565     -1.977747      6.271141
  N       0.459557     -3.625475      5.220708
  C      -0.217389     -3.723496      3.982458
  C       0.545086     -4.028421      2.841087
  C      -0.084624     -4.153844      1.601209
  C      -1.452071     -3.951226      1.508188
  F      -2.013609     -4.114200      0.274348
  C      -2.257391     -3.649249      2.623954
  C      -3.723735     -3.438680      2.616140
  O      -4.387058     -3.641927      3.643201
  C      -4.415577     -2.811576      1.402810
  C      -4.464414     -1.310946      1.590867
  C      -5.689948     -0.619985      1.608438
  C      -5.709351      0.731226      1.933862
  N      -4.588473      1.428044      2.185031
  C      -3.377769      0.782392      2.080670
  C      -3.288533     -0.592571      1.820464
  C      -1.596603     -3.560203      3.873752
  C      -7.613764     -7.040239     13.097762
  C      -7.560845     -7.332730     11.608836
  O      -7.606814     -8.473935     11.152227
  N      -7.453201     -6.199780     10.832921
  C      -7.377017     -6.079149      9.433253
  C      -7.386076     -7.182980      8.558796
  C      -7.307416     -6.961473      7.185071
  C      -7.220495     -5.669977      6.682851
  F      -7.156421     -5.535356      5.331915
  C      -7.205821     -4.542261      7.521346
  C      -7.113832     -3.111749      7.097980
  O      -7.138722     -2.224289      7.957137
  C      -6.988150     -2.783946      5.619649
  C      -6.849252     -1.318328      5.328439
  C      -7.949557     -0.538055      4.948828
  C      -7.719656      0.806432      4.649934
  N      -6.524994      1.396026      4.685662
  C      -5.448609      0.662433      5.061183
  C      -5.602609     -0.708202      5.401081
  C      -7.287302     -4.791216      8.903563
  H     -10.828278      0.549962      5.687537
  H     -11.401293      0.184788      7.328986
  H     -12.119663      1.550017      6.415020
  H      -9.002524      0.335245      7.544490
  H      -6.893655     -0.037147      8.201972
  H      -4.724347      0.854735      9.031962
  H      -6.491466      7.166392      7.997437
  H      -7.916687      6.111629      7.797906
  H      -8.193126      5.140290      5.594653
  H      -7.174154      3.831483      3.723020
  H      -4.201312      5.821502      7.136183
  H      -8.496002      3.955472      8.106960
  H       2.188063     -2.708805      7.105267
  H       0.874625     -2.190815      8.204840
  H       1.125354     -3.924371      7.846307
  H       1.328894     -4.148043      5.286917
  H       1.625383     -4.162101      2.922766
  H       0.477673     -4.412299      0.703707
  H      -3.893111     -3.051895      0.468630
  H      -5.436368     -3.213991      1.350772
  H      -6.624062     -1.147932      1.416492
  H      -6.646775      1.278846      2.025079
  H      -2.319991     -1.092367      1.840041
  H      -2.202439     -3.352229      4.752752
  H      -7.742185     -7.984455     13.635720
  H      -6.684387     -6.556561     13.433981
  H      -8.448292     -6.366148     13.341198
  H      -7.427570     -5.316687     11.336300
  H      -7.455132     -8.190167      8.960094
  H      -7.313638     -7.798673      6.486432
  H      -7.864725     -3.207294      5.101926
  H      -6.123202     -3.326995      5.203086
  H      -8.950469     -0.968494      4.875135
  H      -8.557698      1.450868      4.355974
  H      -4.738076     -1.318805      5.657943
  H      -7.275929     -3.916797      9.558595
  N      -2.998343      4.344765      2.117824
  H      -3.203234      5.291901      2.445818
  H      -3.560308      4.173559      1.280906
  H      -2.018909      4.313673      1.826297
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.523228963154
  N      -3.125822      4.348212      4.931604
  Mo     -3.556168      2.738911      3.722867
  N      -4.192567      1.252094      5.020322
  C      -3.163638      0.536560      5.780768
  C      -2.059273      1.512633      6.088050
  N      -1.660579      2.204856      4.822755
  C      -0.945894      3.476199      5.134311
  C      -1.935107      4.480364      5.727876
  C      -0.794118      1.267717      4.030739
  C      -1.026130      1.469632      2.535466
  N      -2.424604      1.727166      2.302643
  H      -1.499891      5.495603      5.679729
  H      -2.126762      4.272636      6.798039
  H      -0.547691      3.860951      4.184897
  H      -0.098899      3.284693      5.817035
  H      -0.656915      0.592549      1.975903
  H      -0.451408      2.341764      2.176993
  H      -1.076930      0.246003      4.310164
  H       0.260763      1.410248      4.318996
  H      -3.563946      0.150507      6.733458
  H      -2.782550     -0.338664      5.222030
  H      -2.432574      2.267467      6.789895
  H      -1.185221      1.012134      6.536974
  C     -11.154773      0.918236      6.711144
  C     -10.116455      1.886505      7.243940
  O     -10.285842      3.107934      7.243353
  N      -8.979660      1.270944      7.708596
  C      -7.782007      1.850020      8.162957
  C      -6.705102      0.980717      8.402219
  C      -5.486248      1.481281      8.844932
  C      -5.344512      2.846213      9.057466
  F      -4.121015      3.308202      9.430654
  C      -6.395614      3.742017      8.822793
  C      -6.218977      5.219788      8.978430
  O      -5.588832      5.712720      9.905001
  C      -6.788880      6.081382      7.840109
  C      -6.255054      5.540983      6.537135
  C      -7.101700      5.011012      5.552426
  C      -6.549554      4.289871      4.492999
  N      -5.229803      4.126150      4.354366
  C      -4.389143      4.703585      5.276127
  C      -4.869188      5.409585      6.384260
  C      -7.617075      3.223731      8.364409
  C       1.090439     -2.795148      7.461852
  C       0.149663     -2.674181      6.276789
  O      -0.798507     -1.888819      6.254899
  N       0.454029     -3.523953      5.239627
  C      -0.198466     -3.624684      3.988566
  C       0.587675     -3.894507      2.853780
  C      -0.024554     -4.020881      1.604834
  C      -1.395804     -3.853725      1.496225
  F      -1.940489     -4.009762      0.253278
  C      -2.221362     -3.588880      2.605358
  C      -3.692228     -3.422303      2.584190
  O      -4.360069     -3.655203      3.602596
  C      -4.387067     -2.806645      1.369384
  C      -4.449423     -1.307622      1.553001
  C      -5.683841     -0.632351      1.588225
  C      -5.715690      0.717792      1.916631
  N      -4.601937      1.430199      2.152973
  C      -3.384118      0.800721      2.028621
  C      -3.280223     -0.573237      1.766358
  C      -1.578781     -3.496748      3.863451
  C      -7.796773     -6.976134     13.135053
  C      -7.709334     -7.284914     11.651856
  O      -7.747552     -8.431145     11.206498
  N      -7.580554     -6.161189     10.865166
  C      -7.470940     -6.057474      9.466807
  C      -7.463541     -7.172216      8.604819
  C      -7.352650     -6.967399      7.231530
  C      -7.249442     -5.682418      6.715636
  F      -7.154953     -5.562756      5.364856
  C      -7.250065     -4.543879      7.540816
  C      -7.145358     -3.120642      7.098982
  O      -7.198837     -2.221543      7.947696
  C      -6.974975     -2.810853      5.621949
  C      -6.827932     -1.348053      5.318803
  C      -7.930456     -0.567024      4.947728
  C      -7.702167      0.775983      4.646821
  N      -6.507038      1.366484      4.669531
  C      -5.428205      0.628339      5.033177
  C      -5.578271     -0.740786      5.377515
  C      -7.364593     -4.776419      8.924327
  H     -10.813112      0.495163      5.754147
  H     -11.324271      0.083371      7.405828
  H     -12.092602      1.457676      6.546123
  H      -8.933918      0.261609      7.584797
  H      -6.815689     -0.089037      8.211369
  H      -4.639780      0.813963      9.008169
  H      -6.467410      7.114446      8.031987
  H      -7.888593      6.052398      7.847189
  H      -8.184348      5.092149      5.647193
  H      -7.179280      3.798621      3.752271
  H      -4.177129      5.777740      7.143204
  H      -8.450710      3.888610      8.159912
  H       2.129768     -2.591048      7.163900
  H       0.787385     -2.076955      8.229767
  H       1.055465     -3.810715      7.882819
  H       1.326415     -4.039220      5.321788
  H       1.669617     -4.001643      2.948058
  H       0.555159     -4.252941      0.710970
  H      -3.860260     -3.047120      0.437549
  H      -5.404549     -3.218200      1.323006
  H      -6.614882     -1.169865      1.409194
  H      -6.659181      1.252737      2.021196
  H      -2.302186     -1.054388      1.772400
  H      -2.205756     -3.316227      4.734458
  H      -7.943645     -7.912082     13.682331
  H      -6.872088     -6.494099     13.486205
  H      -8.633697     -6.294670     13.347761
  H      -7.564368     -5.272183     11.358464
  H      -7.545590     -8.174460      9.015705
  H      -7.346545     -7.812833      6.542743
  H      -7.840818     -3.232911      5.085054
  H      -6.103018     -3.362748      5.234845
  H      -8.932674     -0.995352      4.883667
  H      -8.542551      1.422534      4.362743
  H      -4.712341     -1.351653      5.628304
  H      -7.366515     -3.894413      9.569163
  N      -3.028394      4.364339      2.108902
  H      -3.222965      5.306223      2.458142
  H      -3.607542      4.210261      1.280496
  H      -2.054907      4.336133      1.798103
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.523679301672
  N      -3.117461      4.327756      4.920855
  Mo     -3.554490      2.721175      3.710460
  N      -4.179473      1.233382      5.011537
  C      -3.146939      0.515677      5.762616
  C      -2.039348      1.489996      6.064169
  N      -1.652726      2.184972      4.796064
  C      -0.935331      3.456085      5.104379
  C      -1.919722      4.459073      5.707251
  C      -0.793346      1.248028      3.995597
  C      -1.031806      1.454606      2.502621
  N      -2.430852      1.715904      2.278475
  H      -1.484914      5.474428      5.656732
  H      -2.102148      4.250182      6.778822
  H      -0.543989      3.842032      4.152608
  H      -0.083540      3.261634      5.780330
  H      -0.666242      0.577598      1.940239
  H      -0.457147      2.325915      2.142011
  H      -1.078691      0.226250      4.274150
  H       0.263568      1.386040      4.279252
  H      -3.538844      0.125903      6.717085
  H      -2.770107     -0.357352      5.198968
  H      -2.405725      2.244123      6.770835
  H      -1.160775      0.988744      6.503104
  C     -11.097064      0.884519      6.732260
  C     -10.064621      1.860030      7.265051
  O     -10.244952      3.079927      7.268834
  N      -8.920084      1.252494      7.719741
  C      -7.725367      1.838093      8.171420
  C      -6.642405      0.974727      8.405696
  C      -5.426435      1.482135      8.847103
  C      -5.292468      2.848153      9.062924
  F      -4.072167      3.317693      9.436740
  C      -6.348734      3.737823      8.831262
  C      -6.181484      5.217261      8.985036
  O      -5.553142      5.715942      9.909745
  C      -6.758566      6.073691      7.847018
  C      -6.233386      5.530561      6.542021
  C      -7.087104      4.998737      5.562718
  C      -6.542819      4.275233      4.501939
  N      -5.223271      4.109495      4.355706
  C      -4.376930      4.687342      5.271662
  C      -4.848965      5.397566      6.380979
  C      -7.568733      3.212961      8.374381
  C       1.025974     -2.677063      7.499097
  C       0.091815     -2.572121      6.307799
  O      -0.857199     -1.789015      6.272037
  N       0.405356     -3.431780      5.281599
  C      -0.239551     -3.547526      4.027029
  C       0.559708     -3.799914      2.897917
  C      -0.039796     -3.940990      1.644873
  C      -1.413593     -3.805937      1.527002
  F      -1.943043     -3.976770      0.279769
  C      -2.254529     -3.560273      2.630079
  C      -3.730792     -3.427691      2.592972
  O      -4.404410     -3.682815      3.602279
  C      -4.424226     -2.813357      1.374526
  C      -4.473517     -1.311812      1.551456
  C      -5.704123     -0.629856      1.590775
  C      -5.727644      0.720954      1.913292
  N      -4.608293      1.428066      2.142567
  C      -3.394295      0.791367      2.015666
  C      -3.298954     -0.584199      1.756537
  C      -1.622694     -3.451560      3.893233
  C      -7.874863     -6.986835     13.119046
  C      -7.758996     -7.298690     11.638085
  O      -7.778525     -8.446450     11.195762
  N      -7.627661     -6.175594     10.851138
  C      -7.494868     -6.073405      9.454463
  C      -7.462771     -7.189255      8.595641
  C      -7.329771     -6.986254      7.223526
  C      -7.228790     -5.701682      6.706994
  F      -7.111676     -5.585148      5.357684
  C      -7.253644     -4.561377      7.529915
  C      -7.153738     -3.137728      7.088309
  O      -7.234260     -2.237140      7.933268
  C      -6.956942     -2.829281      5.614476
  C      -6.812819     -1.366130      5.314905
  C      -7.916102     -0.584494      4.947375
  C      -7.689634      0.759447      4.650638
  N      -6.494364      1.349080      4.672211
  C      -5.414523      0.610655      5.031296
  C      -5.563383     -0.759114      5.374388
  C      -7.390405     -4.791946      8.911467
  H     -10.763149      0.481017      5.764087
  H     -11.245368      0.036051      7.415264
  H     -12.044354      1.413433      6.588372
  H      -8.867831      0.243761      7.592625
  H      -6.749459     -0.095235      8.212094
  H      -4.575716      0.819559      9.007981
  H      -6.439242      7.108281      8.034064
  H      -7.858367      6.041359      7.860938
  H      -8.169264      5.080416      5.662667
  H      -7.177886      3.783922      3.765894
  H      -4.152147      5.766139      7.135351
  H      -8.407565      3.872398      8.172318
  H       2.067079     -2.477208      7.204341
  H       0.718632     -1.948663      8.255645
  H       0.988875     -3.686792      7.933699
  H       1.280381     -3.940708      5.373817
  H       1.643315     -3.881149      2.999457
  H       0.551192     -4.159492      0.755061
  H      -3.902469     -3.065632      0.443507
  H      -5.445254     -3.215455      1.333748
  H      -6.638574     -1.163443      1.417695
  H      -6.667925      1.261035      2.020024
  H      -2.324533     -1.072117      1.757309
  H      -2.257996     -3.284329      4.760250
  H      -8.024657     -7.922991     13.665261
  H      -6.960228     -6.497321     13.485900
  H      -8.719821     -6.310639     13.316358
  H      -7.628448     -5.285492     11.342677
  H      -7.543238     -8.191197      9.007739
  H      -7.304315     -7.832845      6.536655
  H      -7.810663     -3.257599      5.063035
  H      -6.075224     -3.377301      5.243676
  H      -8.917923     -1.013358      4.884602
  H      -8.530825      1.406237      4.370185
  H      -4.697041     -1.370800      5.623081
  H      -7.411170     -3.908822      9.554410
  N      -3.046589      4.350507      2.093893
  H      -3.229330      5.292262      2.449690
  H      -3.640725      4.203297      1.274840
  H      -2.079147      4.316357      1.765258
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.524237397104
  N      -3.127601      4.319321      4.931708
  Mo     -3.558556      2.723934      3.703071
  N      -4.160093      1.215741      4.990128
  C      -3.117597      0.495460      5.723723
  C      -2.015176      1.473142      6.030295
  N      -1.647583      2.190334      4.768717
  C      -0.938163      3.462443      5.091115
  C      -1.927109      4.447429      5.714624
  C      -0.787719      1.271706      3.947078
  C      -1.032283      1.506450      2.460257
  N      -2.434104      1.760275      2.242881
  H      -1.500252      5.466817      5.679582
  H      -2.102488      4.218909      6.783380
  H      -0.554210      3.865245      4.143332
  H      -0.081376      3.264173      5.759744
  H      -0.658414      0.645572      1.878372
  H      -0.467305      2.391016      2.117198
  H      -1.067779      0.244002      4.210148
  H       0.269925      1.410308      4.228548
  H      -3.496926      0.088727      6.675814
  H      -2.736459     -0.366851      5.148237
  H      -2.378427      2.213950      6.753023
  H      -1.129162      0.969405      6.450291
  C     -11.015006      0.737593      6.743567
  C     -10.003062      1.731464      7.282708
  O     -10.212641      2.946794      7.297892
  N      -8.844781      1.147092      7.730794
  C      -7.664871      1.756191      8.188341
  C      -6.566949      0.912174      8.421731
  C      -5.361476      1.438282      8.867620
  C      -5.252815      2.806203      9.090964
  F      -4.042968      3.296749      9.471154
  C      -6.324461      3.678068      8.860733
  C      -6.180581      5.160736      9.019736
  O      -5.561212      5.665237      9.947113
  C      -6.768247      6.015618      7.885410
  C      -6.244066      5.485349      6.575178
  C      -7.098391      4.953324      5.594678
  C      -6.553155      4.243676      4.526160
  N      -5.232373      4.091341      4.374613
  C      -4.386809      4.666911      5.292307
  C      -4.859206      5.366344      6.408365
  C      -7.534550      3.133732      8.398039
  C       1.088829     -2.609344      7.434037
  C       0.152954     -2.511204      6.244242
  O      -0.776506     -1.705785      6.191696
  N       0.443500     -3.398139      5.235351
  C      -0.211714     -3.518989      3.985780
  C       0.579023     -3.775603      2.852185
  C      -0.028609     -3.918993      1.603621
  C      -1.402807     -3.782894      1.495639
  F      -1.939439     -3.955549      0.252057
  C      -2.237181     -3.535503      2.604338
  C      -3.715659     -3.407361      2.573980
  O      -4.385553     -3.684932      3.579649
  C      -4.415789     -2.787147      1.360174
  C      -4.464828     -1.284460      1.538275
  C      -5.698621     -0.609195      1.595020
  C      -5.727343      0.740854      1.915490
  N      -4.609331      1.455732      2.131729
  C      -3.392816      0.825753      1.992392
  C      -3.291937     -0.549895      1.730158
  C      -1.596263     -3.422856      3.862939
  C      -8.105185     -6.868865     13.160698
  C      -7.923064     -7.208273     11.692264
  O      -7.901155     -8.364938     11.274148
  N      -7.780672     -6.098709     10.888506
  C      -7.591659     -6.020879      9.496600
  C      -7.505326     -7.152098      8.662960
  C      -7.318578     -6.973293      7.293178
  C      -7.217282     -5.697707      6.756122
  F      -7.044690     -5.605960      5.410612
  C      -7.295577     -4.541623      7.554302
  C      -7.202453     -3.126370      7.089118
  O      -7.336789     -2.209113      7.910756
  C      -6.935289     -2.841195      5.622067
  C      -6.789936     -1.381232      5.312688
  C      -7.893779     -0.600925      4.943683
  C      -7.669618      0.742443      4.647087
  N      -6.474309      1.331401      4.664979
  C      -5.393516      0.593392      5.020690
  C      -5.540828     -0.774795      5.370246
  C      -7.486293     -4.747945      8.933385
  H     -10.689417      0.373248      5.757190
  H     -11.122633     -0.135453      7.402890
  H     -11.981159      1.239901      6.633188
  H      -8.768315      0.139903      7.597908
  H      -6.657488     -0.158829      8.224895
  H      -4.501560      0.786537      9.025658
  H      -6.458995      7.052446      8.076791
  H      -7.867830      5.972659      7.902298
  H      -8.180724      5.024320      5.700348
  H      -7.186654      3.753682      3.788074
  H      -4.162080      5.734094      7.162790
  H      -8.384695      3.779277      8.197262
  H       2.134060     -2.448107      7.130368
  H       0.805295     -1.851690      8.170876
  H       1.024406     -3.605131      7.896660
  H       1.307266     -3.924980      5.332129
  H       1.663213     -3.857902      2.946514
  H       0.556010     -4.140061      0.710311
  H      -3.898468     -3.040820      0.427601
  H      -5.436878     -3.188684      1.324436
  H      -6.632272     -1.147053      1.430807
  H      -6.670663      1.273784      2.030917
  H      -2.313844     -1.029393      1.715982
  H      -2.225926     -3.251938      4.733009
  H      -8.262764     -7.796474     13.719208
  H      -7.214442     -6.357135     13.555040
  H      -8.967873     -6.202763     13.309662
  H      -7.818576     -5.199335     11.361308
  H      -7.586361     -8.146866      9.092047
  H      -7.250575     -7.832239      6.624842
  H      -7.759199     -3.283454      5.036887
  H      -6.034107     -3.389081      5.301038
  H      -8.895419     -1.029530      4.882969
  H      -8.511969      1.388781      4.369756
  H      -4.674289     -1.386037      5.619564
  H      -7.549119     -3.853384      9.557375
  N      -3.077573      4.387161      2.104379
  H      -3.250931      5.323213      2.479106
  H      -3.685952      4.255606      1.293169
  H      -2.116190      4.353880      1.758490
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.525031709322
  N      -3.144379      4.312720      4.947821
  Mo     -3.559862      2.733938      3.694220
  N      -4.135836      1.197304      4.957825
  C      -3.084475      0.479522      5.680925
  C      -1.993301      1.464800      5.997881
  N      -1.642397      2.206689      4.745767
  C      -0.945300      3.480465      5.088930
  C      -1.944556      4.441637      5.731526
  C      -0.778110      1.309541      3.904410
  C      -1.022225      1.576180      2.424898
  N      -2.425739      1.821745      2.207250
  H      -1.531154      5.466950      5.716624
  H      -2.115792      4.189301      6.795518
  H      -0.565921      3.904180      4.148490
  H      -0.086029      3.278709      5.753317
  H      -0.635830      0.734458      1.823123
  H      -0.466534      2.475450      2.106079
  H      -1.054490      0.275625      4.147699
  H       0.278780      1.448384      4.189190
  H      -3.454872      0.056492      6.629188
  H      -2.689730     -0.372543      5.100224
  H      -2.359277      2.190549      6.734717
  H      -1.100982      0.960261      6.401936
  C     -10.910268      0.490606      6.814410
  C      -9.920848      1.513944      7.340170
  O     -10.174946      2.720922      7.370418
  N      -8.735333      0.969280      7.763234
  C      -7.574119      1.619212      8.210776
  C      -6.449086      0.809840      8.431179
  C      -5.256913      1.368017      8.870553
  C      -5.188662      2.737613      9.103778
  F      -3.992438      3.263000      9.479989
  C      -6.288862      3.577751      8.886721
  C      -6.184477      5.063809      9.059265
  O      -5.577313      5.573874      9.991276
  C      -6.793585      5.918649      7.935670
  C      -6.266932      5.416895      6.615645
  C      -7.119312      4.885979      5.630646
  C      -6.568945      4.200543      4.549454
  N      -5.246814      4.069666      4.394332
  C      -4.404330      4.642210      5.318058
  C      -4.880897      5.324272      6.442773
  C      -7.485515      3.000117      8.427610
  C       1.136966     -2.568615      7.359562
  C       0.210356     -2.469466      6.163553
  O      -0.701144     -1.644460      6.090458
  N       0.484295     -3.376540      5.169115
  C      -0.175904     -3.489072      3.920790
  C       0.607836     -3.743467      2.782350
  C      -0.006707     -3.879290      1.536486
  C      -1.381025     -3.738142      1.437199
  F      -1.924004     -3.902981      0.195622
  C      -2.208526     -3.492539      2.551951
  C      -3.688565     -3.366311      2.530628
  O      -4.352477     -3.661498      3.534486
  C      -4.394497     -2.740410      1.321687
  C      -4.443132     -1.237408      1.504634
  C      -5.680165     -0.569139      1.571708
  C      -5.716229      0.778798      1.894951
  N      -4.600805      1.500859      2.108742
  C      -3.380188      0.878053      1.961696
  C      -3.273082     -0.496830      1.692897
  C      -1.560236     -3.386705      3.806873
  C      -8.393923     -6.659916     13.218444
  C      -8.135981     -7.043627     11.772301
  O      -8.073145     -8.212732     11.394918
  N      -7.973604     -5.958352     10.940147
  C      -7.718575     -5.921235      9.556960
  C      -7.577144     -7.076468      8.765716
  C      -7.326332     -6.937669      7.400825
  C      -7.215531     -5.678532      6.829555
  F      -6.977129     -5.626070      5.491561
  C      -7.348008     -4.498456      7.585483
  C      -7.252293     -3.099866      7.079381
  O      -7.441677     -2.156045      7.862284
  C      -6.908721     -2.854062      5.621311
  C      -6.759577     -1.400187      5.290811
  C      -7.862626     -0.624131      4.910705
  C      -7.641390      0.717987      4.612983
  N      -6.447001      1.308426      4.632775
  C      -5.366461      0.572307      4.992084
  C      -5.511619     -0.793299      5.351045
  C      -7.603334     -4.664536      8.959816
  H     -10.613464      0.170589      5.804061
  H     -10.952740     -0.406502      7.448427
  H     -11.900834      0.953022      6.758424
  H      -8.620416     -0.034651      7.622210
  H      -6.511776     -0.262505      8.232700
  H      -4.381032      0.735773      9.016511
  H      -6.505513      6.959236      8.138993
  H      -7.892236      5.853195      7.956889
  H      -8.201815      4.938362      5.743908
  H      -7.198113      3.712418      3.806679
  H      -4.186113      5.690582      7.199894
  H      -8.356308      3.621789      8.239101
  H       2.187838     -2.444014      7.058386
  H       0.871132     -1.788096      8.078859
  H       1.040959     -3.552530      7.841622
  H       1.334001     -3.924651      5.271175
  H       1.692071     -3.831440      2.870490
  H       0.571848     -4.099029      0.638977
  H      -3.880375     -2.995350      0.388000
  H      -5.415878     -3.140931      1.289941
  H      -6.612336     -1.109606      1.407697
  H      -6.663624      1.303559      2.013478
  H      -2.290795     -0.966428      1.668402
  H      -2.186844     -3.216824      4.679343
  H      -8.566290     -7.571118     13.799130
  H      -7.530106     -6.122804     13.638111
  H      -9.271373     -6.001986     13.303628
  H      -8.049283     -5.045132     11.380780
  H      -7.666076     -8.058017      9.222711
  H      -7.214753     -7.815613      6.763834
  H      -7.700767     -3.313608      5.005589
  H      -5.991029     -3.405650      5.359565
  H      -8.863131     -1.053439      4.847714
  H      -8.484341      1.362915      4.334461
  H      -4.646333     -1.402188      5.608568
  H      -7.708918     -3.752379      9.551531
  N      -3.111495      4.438094      2.122998
  H      -3.279120      5.368832      2.513281
  H      -3.728551      4.321174      1.315959
  H      -2.154423      4.408360      1.764926
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.525511034170
  N      -3.169246      4.310156      4.974334
  Mo     -3.560723      2.752774      3.688756
  N      -4.104418      1.180171      4.921144
  C      -3.043007      0.468835      5.635502
  C      -1.968734      1.465445      5.967541
  N      -1.636741      2.236713      4.728104
  C      -0.957609      3.512916      5.098963
  C      -1.972582      4.441809      5.762327
  C      -0.764576      1.366870      3.865508
  C      -1.005258      1.670850      2.395673
  N      -2.410291      1.904840      2.174243
  H      -1.578313      5.474509      5.774313
  H      -2.140620      4.159050      6.819019
  H      -0.582795      3.963339      4.169226
  H      -0.096587      3.307911      5.760025
  H      -0.601035      0.853401      1.772062
  H      -0.461493      2.587539      2.107882
  H      -1.036744      0.325871      4.083955
  H       0.290606      1.506515      4.156836
  H      -3.403914      0.026460      6.578339
  H      -2.626684     -0.370634      5.052132
  H      -2.341552      2.172662      6.719162
  H      -1.069220      0.962183      6.355032
  C     -10.793202      0.174649      6.897751
  C      -9.829874      1.232335      7.403834
  O     -10.135744      2.427253      7.451727
  N      -8.614451      0.736561      7.796535
  C      -7.477432      1.434503      8.231704
  C      -6.322228      0.667261      8.435395
  C      -5.146734      1.261593      8.867413
  C      -5.125508      2.631236      9.115121
  F      -3.946784      3.196677      9.487771
  C      -6.258228      3.432958      8.915459
  C      -6.200909      4.920809      9.110318
  O      -5.609410      5.432690     10.050863
  C      -6.835018      5.780199      8.003547
  C      -6.302646      5.323300      6.670003
  C      -7.150396      4.795495      5.676136
  C      -6.591216      4.145395      4.578223
  N      -5.267501      4.044176      4.421391
  C      -4.430765      4.612845      5.355217
  C      -4.915375      5.269152      6.491547
  C      -7.437946      2.817405      8.459220
  C       1.207727     -2.551012      7.251795
  C       0.291607     -2.447356      6.049339
  O      -0.596755     -1.598544      5.953010
  N       0.541262     -3.377276      5.071087
  C      -0.127653     -3.474402      3.825694
  C       0.642237     -3.735689      2.679988
  C       0.015283     -3.859338      1.439301
  C      -1.357999     -3.699076      1.353613
  F      -1.913719     -3.853140      0.116798
  C      -2.171040     -3.443959      2.477257
  C      -3.651836     -3.306306      2.471412
  O      -4.306717     -3.609977      3.477235
  C      -4.362359     -2.672190      1.267571
  C      -4.410879     -1.169346      1.460036
  C      -5.651831     -0.510041      1.537082
  C      -5.697657      0.834135      1.867579
  N      -4.585710      1.564120      2.084404
  C      -3.359157      0.950565      1.929897
  C      -3.244552     -0.422629      1.649410
  C      -1.510368     -3.350452      3.725502
  C      -8.735522     -6.361496     13.283533
  C      -8.388904     -6.805016     11.873268
  O      -8.281108     -7.988386     11.555278
  N      -8.199741     -5.755296     11.002674
  C      -7.866792     -5.773964      9.635565
  C      -7.664326     -6.959716      8.906492
  C      -7.337278     -6.875963      7.552298
  C      -7.211124     -5.641625      6.934156
  F      -6.894237     -5.642784      5.610848
  C      -7.403738     -4.431149      7.628004
  C      -7.299984     -3.058137      7.065353
  O      -7.549743     -2.079838      7.791108
  C      -6.868575     -2.866639      5.622608
  C      -6.716384     -1.421856      5.261473
  C      -7.818729     -0.653468      4.864134
  C      -7.602856      0.687097      4.564683
  N      -6.410699      1.281478      4.589720
  C      -5.330141      0.549500      4.956237
  C      -5.471051     -0.812762      5.326941
  C      -7.735968     -4.541796      8.991731
  H     -10.537027     -0.099655      5.863457
  H     -10.760477     -0.743405      7.501773
  H     -11.806419      0.589164      6.905208
  H      -8.453676     -0.261709      7.645639
  H      -6.352017     -0.405435      8.234464
  H      -4.254402      0.650990      8.997797
  H      -6.575487      6.823713      8.228506
  H      -7.931757      5.684616      8.026973
  H      -8.232800      4.820918      5.797428
  H      -7.213248      3.660271      3.827802
  H      -4.225694      5.632881      7.254325
  H      -8.332283      3.410429      8.287630
  H       2.263767     -2.471503      6.953869
  H       0.965885     -1.745249      7.951349
  H       1.072884     -3.519806      7.754612
  H       1.370661     -3.954639      5.177651
  H       1.725621     -3.841514      2.758020
  H       0.581980     -4.085514      0.535949
  H      -3.849535     -2.927791      0.333723
  H      -5.384031     -3.071556      1.236861
  H      -6.581822     -1.052888      1.368822
  H      -6.650363      1.348397      1.988211
  H      -2.257507     -0.880501      1.613906
  H      -2.129600     -3.174158      4.601950
  H      -8.927205     -7.248343     13.895012
  H      -7.905364     -5.790932     13.726291
  H      -9.626132     -5.715959     13.288331
  H      -8.317374     -4.825111     11.396111
  H      -7.766013     -7.921266      9.401657
  H      -7.177020     -7.778217      6.961457
  H      -7.621589     -3.350954      4.976797
  H      -5.935062     -3.421030      5.434418
  H      -8.816841     -1.085277      4.796433
  H      -8.446880      1.328961      4.282573
  H      -4.607451     -1.417464      5.596769
  H      -7.889033     -3.607278      9.535980
  N      -3.152494      4.505976      2.154992
  H      -3.319313      5.430093      2.561175
  H      -3.773960      4.403743      1.349087
  H      -2.198256      4.484397      1.788583
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.525681469611
  N      -3.156036      4.287186      4.946648
  Mo     -3.561259      2.734133      3.657829
  N      -4.083271      1.155102      4.895471
  C      -3.009052      0.442677      5.589839
  C      -1.933528      1.440714      5.911909
  N      -1.621936      2.217915      4.671570
  C      -0.941104      3.493864      5.037876
  C      -1.948801      4.418568      5.718393
  C      -0.762266      1.352657      3.793588
  C      -1.020573      1.667854      2.328839
  N      -2.428321      1.901653      2.120254
  H      -1.555758      5.451804      5.728531
  H      -2.101663      4.131647      6.776319
  H      -0.578237      3.948310      4.105338
  H      -0.071590      3.288132      5.687584
  H      -0.620243      0.857035      1.694034
  H      -0.482000      2.588611      2.044473
  H      -1.032593      0.311182      4.009715
  H       0.296728      1.489934      4.072090
  H      -3.353942     -0.006990      6.535140
  H      -2.597630     -0.392528      4.996489
  H      -2.295428      2.143031      6.673341
  H      -1.027978      0.935427      6.282152
  C     -10.809185      0.208160      7.007204
  C      -9.824843      1.258508      7.486775
  O     -10.123595      2.454686      7.550734
  N      -8.603158      0.753744      7.846801
  C      -7.453418      1.443661      8.260289
  C      -6.298148      0.670184      8.438575
  C      -5.110594      1.256777      8.847326
  C      -5.076657      2.624918      9.098970
  F      -3.887799      3.183755      9.449358
  C      -6.208782      3.431857      8.924814
  C      -6.141316      4.918794      9.116874
  O      -5.538128      5.430503     10.049922
  C      -6.785174      5.775077      8.014170
  C      -6.267771      5.313327      6.675584
  C      -7.127216      4.780392      5.695277
  C      -6.581516      4.125250      4.593031
  N      -5.259705      4.023757      4.418835
  C      -4.412556      4.593595      5.340596
  C      -4.882874      5.256707      6.479752
  C      -7.401038      2.824861      8.491470
  C       1.147111     -2.427970      7.300976
  C       0.252489     -2.344472      6.080919
  O      -0.643287     -1.505676      5.960306
  N       0.528768     -3.279955      5.115209
  C      -0.120004     -3.388455      3.860122
  C       0.667662     -3.625921      2.721433
  C       0.055047     -3.761063      1.474085
  C      -1.321291     -3.635607      1.376382
  F      -1.862800     -3.796136      0.133986
  C      -2.149927     -3.404738      2.493553
  C      -3.632808     -3.307330      2.481352
  O      -4.282907     -3.641069      3.480726
  C      -4.359465     -2.696304      1.276174
  C      -4.417710     -1.191944      1.451945
  C      -5.662750     -0.542964      1.549057
  C      -5.714337      0.802455      1.872889
  N      -4.605028      1.543848      2.066829
  C      -3.375641      0.940048      1.893369
  C      -3.254963     -0.433165      1.615467
  C      -1.503339     -3.297950      3.747065
  C      -8.871712     -6.402661     13.248470
  C      -8.487262     -6.842813     11.847110
  O      -8.362580     -8.025245     11.531670
  N      -8.283985     -5.791371     10.981726
  C      -7.917815     -5.807061      9.623145
  C      -7.691794     -6.991271      8.898047
  C      -7.333468     -6.904624      7.552081
  C      -7.199455     -5.669178      6.937782
  F      -6.851873     -5.667200      5.622213
  C      -7.415119     -4.460213      7.627660
  C      -7.308862     -3.087306      7.067038
  O      -7.586938     -2.111720      7.786955
  C      -6.838561     -2.892527      5.636619
  C      -6.689994     -1.446476      5.275806
  C      -7.797671     -0.677405      4.894287
  C      -7.586587      0.663875      4.595733
  N      -6.394297      1.258303      4.603729
  C      -5.308283      0.525622      4.952681
  C      -5.444130     -0.836715      5.326833
  C      -7.778551     -4.573750      8.983482
  H     -10.599656     -0.047026      5.957643
  H     -10.748196     -0.720291      7.592719
  H     -11.821425      0.620886      7.067057
  H      -8.451571     -0.245460      7.689379
  H      -6.341365     -0.401739      8.238280
  H      -4.219912      0.641110      8.957779
  H      -6.521966      6.819252      8.231733
  H      -7.881531      5.679846      8.050391
  H      -8.207851      4.804731      5.831585
  H      -7.212752      3.636820      3.852500
  H      -4.183157      5.622145      7.232421
  H      -8.295216      3.423715      8.340718
  H       2.207993     -2.346151      7.021546
  H       0.887973     -1.615275      7.986177
  H       1.008203     -3.391397      7.812905
  H       1.361580     -3.848831      5.239463
  H       1.752384     -3.705793      2.809993
  H       0.635524     -3.969887      0.575292
  H      -3.852858     -2.958957      0.340687
  H      -5.376983     -3.106536      1.262752
  H      -6.590962     -1.094490      1.400498
  H      -6.669855      1.307715      2.008157
  H      -2.264229     -0.881030      1.562919
  H      -2.135858     -3.139475      4.617864
  H      -9.076115     -7.290932     13.853709
  H      -8.055015     -5.830069     13.713116
  H      -9.764259     -5.760038     13.231038
  H      -8.417455     -4.862201     11.372509
  H      -7.800190     -7.953817      9.389832
  H      -7.154910     -7.805596      6.964508
  H      -7.570579     -3.382978      4.971439
  H      -5.897004     -3.440754      5.474292
  H      -8.796158     -1.108821      4.836776
  H      -8.434988      1.306003      4.327254
  H      -4.576111     -1.441537      5.582301
  H      -7.950404     -3.640576      9.524428
  N      -3.187543      4.495033      2.127502
  H      -3.327340      5.417885      2.546820
  H      -3.836732      4.409147      1.341688
  H      -2.246692      4.463385      1.728595
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.525733372399
  N      -3.177198      4.330642      4.923837
  Mo     -3.564225      2.749382      3.662833
  N      -4.079564      1.183411      4.924320
  C      -3.008118      0.498697      5.646151
  C      -1.943227      1.514869      5.954513
  N      -1.628018      2.265387      4.698744
  C      -0.956925      3.553193      5.043758
  C      -1.975253      4.484499      5.701596
  C      -0.763451      1.384155      3.841628
  C      -1.010942      1.673807      2.368296
  N      -2.416927      1.903731      2.139020
  H      -1.590481      5.520705      5.695909
  H      -2.133983      4.215158      6.763171
  H      -0.593423      3.992940      4.104521
  H      -0.089788      3.364222      5.701389
  H      -0.601152      0.853321      1.752338
  H      -0.470856      2.590941      2.074929
  H      -1.037622      0.347684      4.072143
  H       0.293718      1.523532      4.125259
  H      -3.359194      0.069595      6.599417
  H      -2.579988     -0.349794      5.081987
  H      -2.318402      2.232177      6.694296
  H      -1.036570      1.025840      6.344222
  C     -10.869447      0.291831      7.080706
  C      -9.874990      1.346024      7.528840
  O     -10.168524      2.545173      7.571863
  N      -8.655144      0.840655      7.891189
  C      -7.499661      1.534377      8.280430
  C      -6.341823      0.763894      8.458995
  C      -5.148857      1.355835      8.842301
  C      -5.109966      2.725827      9.069309
  F      -3.915617      3.287813      9.392870
  C      -6.243320      3.529530      8.896212
  C      -6.171890      5.017189      9.062868
  O      -5.560557      5.542871      9.983210
  C      -6.823305      5.854664      7.952471
  C      -6.302444      5.373210      6.621202
  C      -7.155553      4.814232      5.651804
  C      -6.600447      4.142570      4.562789
  N      -5.277225      4.048234      4.392191
  C      -4.438160      4.640554      5.302774
  C      -4.918255      5.324592      6.426639
  C      -7.442159      2.917920      8.489766
  C       1.218638     -2.596166      7.274590
  C       0.311669     -2.483036      6.065982
  O      -0.581048     -1.638293      5.972887
  N       0.569456     -3.404988      5.080847
  C      -0.093472     -3.489946      3.831385
  C       0.675644     -3.753363      2.685602
  C       0.048309     -3.875003      1.444540
  C      -1.325042     -3.708371      1.357405
  F      -1.883134     -3.862514      0.121602
  C      -2.133525     -3.442938      2.480251
  C      -3.613874     -3.302942      2.484321
  O      -4.259113     -3.604560      3.496017
  C      -4.339257     -2.692506      1.279170
  C      -4.400178     -1.190398      1.462099
  C      -5.647288     -0.545228      1.551140
  C      -5.702623      0.799402      1.877056
  N      -4.595151      1.540559      2.079158
  C      -3.361972      0.939914      1.913842
  C      -3.239005     -0.433085      1.637049
  C      -1.474322     -3.353116      3.727746
  C      -8.875215     -6.536063     13.214404
  C      -8.478374     -6.949596     11.808407
  O      -8.352394     -8.126084     11.471390
  N      -8.267072     -5.882085     10.964805
  C      -7.891954     -5.872427      9.608494
  C      -7.663391     -7.042972      8.861554
  C      -7.296334     -6.930709      7.519661
  C      -7.156852     -5.684085      6.929998
  F      -6.799855     -5.656507      5.617023
  C      -7.375652     -4.488169      7.641735
  C      -7.267226     -3.106995      7.105846
  O      -7.546551     -2.146416      7.846470
  C      -6.802110     -2.891149      5.674076
  C      -6.668050     -1.441655      5.313485
  C      -7.781438     -0.685456      4.923700
  C      -7.580875      0.654744      4.612034
  N      -6.393395      1.260943      4.619539
  C      -5.302071      0.542824      4.982529
  C      -5.426746     -0.818761      5.367043
  C      -7.747017     -4.627140      8.993616
  H     -10.676509      0.016686      6.032880
  H     -10.804142     -0.625860      7.682336
  H     -11.879022      0.710323      7.147158
  H      -8.505096     -0.162688      7.743204
  H      -6.386153     -0.310367      8.280612
  H      -4.258794      0.741831      8.953374
  H      -6.565704      6.903376      8.154474
  H      -7.919015      5.753242      7.991381
  H      -8.236454      4.829480      5.787482
  H      -7.227295      3.635060      3.831306
  H      -4.224275      5.709865      7.174725
  H      -8.337379      3.515761      8.342214
  H       2.276799     -2.517723      6.984373
  H       0.974127     -1.794252      7.977726
  H       1.077126     -3.567953      7.769883
  H       1.394364     -3.988362      5.190005
  H       1.757912     -3.869423      2.764145
  H       0.613749     -4.107310      0.541873
  H      -3.830621     -2.952608      0.344091
  H      -5.356944     -3.103326      1.262853
  H      -6.573170     -1.098036      1.393467
  H      -6.659017      1.303578      2.007891
  H      -2.248170     -0.883035      1.587009
  H      -2.094042     -3.171201      4.603284
  H      -9.087755     -7.435280     13.800363
  H      -8.061398     -5.974813     13.697638
  H      -9.765966     -5.890758     13.200555
  H      -8.402837     -4.960372     11.372158
  H      -7.776162     -8.014898      9.333501
  H      -7.115098     -7.820356      6.915779
  H      -7.531057     -3.385661      5.008419
  H      -5.854366     -3.427258      5.510319
  H      -8.775073     -1.127558      4.861710
  H      -8.433100      1.286569      4.331144
  H      -4.553505     -1.415742      5.625641
  H      -7.921131     -3.704260      9.551331
  N      -3.208225      4.480738      2.108812
  H      -3.331740      5.414954      2.508089
  H      -3.863776      4.387914      1.328788
  H      -2.271553      4.429314      1.701756
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.526015618093
  N      -3.161221      4.313086      4.915662
  Mo     -3.562415      2.748178      3.638683
  N      -4.087760      1.172642      4.881757
  C      -3.019640      0.473070      5.595264
  C      -1.945306      1.478767      5.912736
  N      -1.624407      2.241878      4.665006
  C      -0.945128      3.522352      5.022076
  C      -1.957364      4.452026      5.692230
  C      -0.764912      1.365479      3.799016
  C      -1.015665      1.668558      2.328821
  N      -2.422045      1.905761      2.103372
  H      -1.568228      5.486559      5.696796
  H      -2.116084      4.171954      6.750971
  H      -0.582245      3.970550      4.086695
  H      -0.077713      3.322950      5.675963
  H      -0.612926      0.851377      1.704369
  H      -0.472402      2.585510      2.041152
  H      -1.043169      0.328120      4.017263
  H       0.293221      1.495996      4.082371
  H      -3.374092      0.037388      6.544980
  H      -2.598778     -0.373437      5.020808
  H      -2.315952      2.189235      6.660501
  H      -1.041665      0.979098      6.296622
  C     -10.810198      0.242014      7.035813
  C      -9.826486      1.296806      7.504759
  O     -10.114954      2.497603      7.530130
  N      -8.611992      0.790792      7.885960
  C      -7.459871      1.485166      8.284899
  C      -6.300633      0.715303      8.475339
  C      -5.110684      1.311670      8.864544
  C      -5.077228      2.681230      9.086083
  F      -3.884938      3.244699      9.415411
  C      -6.210644      3.484069      8.903740
  C      -6.134793      4.970844      9.072909
  O      -5.516599      5.488181      9.993733
  C      -6.786883      5.823967      7.973387
  C      -6.276672      5.351225      6.635234
  C      -7.135686      4.810697      5.662527
  C      -6.588135      4.147477      4.563682
  N      -5.267401      4.045360      4.389829
  C      -4.420873      4.622935      5.302488
  C      -4.893525      5.294320      6.436609
  C      -7.405307      2.869357      8.490641
  C       1.034444     -2.560639      7.405752
  C       0.164217     -2.441290      6.170401
  O      -0.749129     -1.619889      6.070770
  N       0.475329     -3.337736      5.176085
  C      -0.144904     -3.420173      3.904492
  C       0.663452     -3.654692      2.779626
  C       0.075372     -3.775251      1.518756
  C      -1.298255     -3.635503      1.391499
  F      -1.818867     -3.781808      0.138404
  C      -2.143323     -3.398134      2.491452
  C      -3.623843     -3.285062      2.454453
  O      -4.288684     -3.571094      3.457035
  C      -4.323996     -2.686564      1.232066
  C      -4.395796     -1.186277      1.409640
  C      -5.646653     -0.544733      1.488195
  C      -5.706353      0.799099      1.822346
  N      -4.602900      1.540511      2.033149
  C      -3.368079      0.945850      1.869847
  C      -3.239457     -0.425704      1.592941
  C      -1.524277     -3.309546      3.758674
  C      -8.736381     -6.518175     13.252057
  C      -8.410085     -6.932744     11.828440
  O      -8.342761     -8.109742     11.476418
  N      -8.194805     -5.865777     10.984722
  C      -7.876179     -5.858060      9.614126
  C      -7.719861     -7.030000      8.849400
  C      -7.404500     -6.918805      7.494861
  C      -7.245729     -5.672449      6.908280
  F      -6.942493     -5.645291      5.582114
  C      -7.393935     -4.475972      7.636429
  C      -7.260791     -3.094698      7.106271
  O      -7.477479     -2.132454      7.866042
  C      -6.846866     -2.881355      5.657262
  C      -6.702775     -1.433031      5.293420
  C      -7.815605     -0.663292      4.932272
  C      -7.602373      0.673003      4.606363
  N      -6.407469      1.266409      4.591655
  C      -5.317307      0.538754      4.937893
  C      -5.452022     -0.824434      5.316188
  C      -7.713501     -4.614156      9.002085
  H     -10.594611     -0.031249      5.991755
  H     -10.754455     -0.675090      7.638784
  H     -11.821877      0.658275      7.082420
  H      -8.460933     -0.212966      7.742504
  H      -6.340788     -0.359764      8.300075
  H      -4.215498      0.703810      8.985394
  H      -6.517140      6.867721      8.185391
  H      -7.883343      5.734929      8.016361
  H      -8.216296      4.833129      5.800301
  H      -7.220088      3.652620      3.827674
  H      -4.195220      5.666778      7.187406
  H      -8.300891      3.464120      8.335617
  H       2.099136     -2.451298      7.151835
  H       0.748800     -1.780658      8.118012
  H       0.900439     -3.546069      7.875733
  H       1.310219     -3.902932      5.303580
  H       1.745068     -3.748860      2.889676
  H       0.672447     -3.984722      0.630935
  H      -3.795099     -2.946902      0.306983
  H      -5.339264     -3.102887      1.197706
  H      -6.569043     -1.101625      1.324374
  H      -6.662682      1.304579      1.950294
  H      -2.247660     -0.875552      1.551829
  H      -2.172804     -3.151518      4.618446
  H      -8.962072     -7.414099     13.838140
  H      -7.882702     -5.994612     13.708031
  H      -9.600544     -5.838065     13.277807
  H      -8.280371     -4.943364     11.403891
  H      -7.846700     -8.001865      9.317797
  H      -7.279225     -7.809234      6.877971
  H      -7.605880     -3.363855      5.017260
  H      -5.913203     -3.429316      5.458881
  H      -8.817219     -1.093749      4.899074
  H      -8.451517      1.315027      4.339607
  H      -4.581082     -1.430813      5.560447
  H      -7.832234     -3.690581      9.573103
  N      -3.198529      4.493724      2.105186
  H      -3.291151      5.422241      2.525502
  H      -3.875940      4.427374      1.341471
  H      -2.273285      4.427753      1.674992
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.526324883273
  N      -3.173801      4.296068      4.931402
  Mo     -3.571311      2.743038      3.637691
  N      -4.072527      1.153424      4.874156
  C      -2.994276      0.452495      5.568665
  C      -1.923051      1.460512      5.887079
  N      -1.622605      2.242841      4.645304
  C      -0.950623      3.524549      5.012539
  C      -1.965978      4.436757      5.700761
  C      -0.762778      1.383893      3.761226
  C      -1.022178      1.706678      2.298027
  N      -2.432238      1.930010      2.083444
  H      -1.585781      5.474611      5.715876
  H      -2.114017      4.141951      6.757040
  H      -0.596354      3.986557      4.080659
  H      -0.077748      3.324004      5.659011
  H      -0.610774      0.905298      1.658652
  H      -0.492453      2.635366      2.023096
  H      -1.035535      0.341430      3.966265
  H       0.296427      1.515917      4.040703
  H      -3.333819      0.001533      6.516310
  H      -2.573255     -0.384369      4.981926
  H      -2.289414      2.157891      6.649581
  H      -1.011548      0.961255      6.251678
  C     -10.777912      0.146999      7.067634
  C      -9.800374      1.211282      7.530840
  O     -10.100784      2.408968      7.558595
  N      -8.577895      0.717571      7.903026
  C      -7.431366      1.421808      8.299663
  C      -6.264541      0.661351      8.481505
  C      -5.078736      1.265343      8.872492
  C      -5.057810      2.635258      9.105284
  F      -3.871479      3.209509      9.438117
  C      -6.199404      3.429223      8.930616
  C      -6.137404      4.917195      9.108375
  O      -5.519093      5.435736     10.028354
  C      -6.795115      5.770860      8.011645
  C      -6.286457      5.306083      6.670540
  C      -7.147162      4.761794      5.699185
  C      -6.601459      4.107088      4.595634
  N      -5.280764      4.016318      4.415733
  C      -4.432137      4.595157      5.328014
  C      -4.902888      5.260056      6.466823
  C      -7.389122      2.805951      8.514048
  C       1.203458     -2.464897      7.287699
  C       0.303954     -2.361538      6.072331
  O      -0.601856     -1.531914      5.977263
  N       0.585524     -3.276243      5.086533
  C      -0.064874     -3.375161      3.830733
  C       0.720995     -3.613797      2.691414
  C       0.109494     -3.746958      1.443847
  C      -1.267017     -3.617375      1.343785
  F      -1.809766     -3.774989      0.102099
  C      -2.092972     -3.381736      2.459164
  C      -3.577440     -3.285727      2.443435
  O      -4.226396     -3.581362      3.453276
  C      -4.296490     -2.685025      1.231016
  C      -4.379802     -1.185610      1.415455
  C      -5.636574     -0.558493      1.517573
  C      -5.707082      0.784047      1.852589
  N      -4.608438      1.538447      2.046660
  C      -3.369289      0.957606      1.864724
  C      -3.229530     -0.412702      1.582799
  C      -1.449121     -3.277111      3.713609
  C      -9.003325     -6.396055     13.262563
  C      -8.616642     -6.838982     11.862420
  O      -8.528022     -8.022542     11.538592
  N      -8.371667     -5.788183     11.006382
  C      -7.996810     -5.806349      9.650085
  C      -7.806431     -6.992560      8.916668
  C      -7.435249     -6.907230      7.574051
  C      -7.255527     -5.672292      6.969987
  F      -6.895119     -5.671781      5.657751
  C      -7.437810     -4.461352      7.666692
  C      -7.290162     -3.090366      7.115906
  O      -7.542651     -2.112516      7.845076
  C      -6.815561     -2.898309      5.683384
  C      -6.674800     -1.453117      5.311618
  C      -7.791582     -0.687024      4.953226
  C      -7.584143      0.648560      4.623381
  N      -6.390851      1.243346      4.600884
  C      -5.297858      0.519303      4.943295
  C      -5.426814     -0.842634      5.327645
  C      -7.812711     -4.574063      9.020624
  H     -10.590492     -0.097729      6.011227
  H     -10.686701     -0.782970      7.646280
  H     -11.795558      0.542137      7.154027
  H      -8.416375     -0.283359      7.756439
  H      -6.296971     -0.414165      8.300502
  H      -4.178698      0.661114      8.985353
  H      -6.530232      6.815240      8.226103
  H      -7.891218      5.676440      8.056483
  H      -8.227204      4.774798      5.842672
  H      -7.233546      3.610917      3.860688
  H      -4.203494      5.633956      7.215952
  H      -8.290735      3.393609      8.365498
  H       2.263168     -2.380729      7.004716
  H       0.948896     -1.662806      7.987063
  H       1.064641     -3.435871      7.785624
  H       1.419244     -3.845254      5.203498
  H       1.805445     -3.699064      2.779971
  H       0.690249     -3.957407      0.545506
  H      -3.773017     -2.938208      0.301264
  H      -5.308020     -3.110306      1.203630
  H      -6.555398     -1.124815      1.365867
  H      -6.668112      1.276703      1.996504
  H      -2.233149     -0.849851      1.521998
  H      -2.080878     -3.117070      4.585112
  H      -9.254786     -7.280298     13.855948
  H      -8.169522     -5.863648     13.744451
  H      -9.866826     -5.715102     13.237981
  H      -8.478970     -4.857839     11.402383
  H      -7.950193     -7.955058      9.399449
  H      -7.281808     -7.809242      6.980815
  H      -7.541737     -3.396876      5.017995
  H      -5.869464     -3.440651      5.533534
  H      -8.792060     -1.119338      4.925560
  H      -8.435808      1.288025      4.358969
  H      -4.553609     -1.447013      5.568533
  H      -7.958002     -3.640060      9.568000
  N      -3.245421      4.509112      2.118734
  H      -3.303662      5.432913      2.555487
  H      -3.953174      4.468365      1.381082
  H      -2.339571      4.431169      1.650606
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.526541778270
  N      -3.185461      4.297280      4.917367
  Mo     -3.579850      2.742044      3.625361
  N      -4.059645      1.149806      4.869192
  C      -2.973804      0.458786      5.561450
  C      -1.907607      1.475164      5.868531
  N      -1.622616      2.256561      4.622403
  C      -0.956552      3.543428      4.982259
  C      -1.973047      4.449620      5.676646
  C      -0.765655      1.400629      3.733242
  C      -1.031512      1.723770      2.271882
  N      -2.443177      1.940170      2.061430
  H      -1.600566      5.490373      5.686644
  H      -2.110260      4.155735      6.734678
  H      -0.611696      4.006033      4.047213
  H      -0.077991      3.349640      5.623196
  H      -0.616378      0.926127      1.630020
  H      -0.508296      2.656207      1.997150
  H      -1.036319      0.357723      3.939175
  H       0.294803      1.533957      4.007640
  H      -3.304604      0.010091      6.513153
  H      -2.549491     -0.379218      4.978383
  H      -2.272619      2.172301      6.631986
  H      -0.989773      0.983371      6.226634
  C     -10.724590      0.118779      7.079779
  C      -9.756355      1.192239      7.541658
  O     -10.068718      2.386877      7.569155
  N      -8.530264      0.710010      7.916683
  C      -7.389178      1.424872      8.309948
  C      -6.214786      0.675362      8.488127
  C      -5.032704      1.291113      8.873628
  C      -5.023815      2.661854      9.104366
  F      -3.841071      3.248245      9.428920
  C      -6.173845      3.444469      8.933965
  C      -6.124897      4.933264      9.106474
  O      -5.509230      5.461558     10.022934
  C      -6.795841      5.775409      8.009166
  C      -6.291565      5.305653      6.667841
  C      -7.155233      4.750100      5.705132
  C      -6.612972      4.091814      4.601912
  N      -5.292851      4.007245      4.414921
  C      -4.441822      4.594156      5.319918
  C      -4.908652      5.265826      6.456443
  C      -7.359035      2.809526      8.523158
  C       1.209928     -2.471987      7.293917
  C       0.313004     -2.363789      6.076909
  O      -0.593886     -1.534687      5.982646
  N       0.596255     -3.273870      5.087814
  C      -0.054201     -3.364967      3.832307
  C       0.729243     -3.599236      2.690486
  C       0.114557     -3.727767      1.443991
  C      -1.262413     -3.597763      1.347842
  F      -1.806966     -3.754616      0.106822
  C      -2.085393     -3.364476      2.466469
  C      -3.570339     -3.271197      2.461085
  O      -4.212519     -3.576158      3.472876
  C      -4.302999     -2.685957      1.249471
  C      -4.388504     -1.186038      1.427715
  C      -5.645725     -0.560962      1.535804
  C      -5.716503      0.783293      1.862953
  N      -4.617459      1.540671      2.045395
  C      -3.377868      0.961222      1.858350
  C      -3.237707     -0.410375      1.582896
  C      -1.437692     -3.264559      3.718828
  C      -9.110881     -6.418268     13.241156
  C      -8.700824     -6.858381     11.846885
  O      -8.609144     -8.041356     11.521727
  N      -8.436382     -5.806127     10.998427
  C      -8.037401     -5.821988      9.648991
  C      -7.839111     -7.006917      8.915652
  C      -7.443616     -6.919085      7.580231
  C      -7.248581     -5.683165      6.983059
  F      -6.862139     -5.680433      5.678191
  C      -7.439395     -4.473249      7.679412
  C      -7.279984     -3.101306      7.134457
  O      -7.531085     -2.124781      7.865654
  C      -6.788680     -2.906339      5.708410
  C      -6.651268     -1.461125      5.335838
  C      -7.772017     -0.698308      4.981852
  C      -7.569574      0.635318      4.642855
  N      -6.377964      1.231781      4.608389
  C      -5.281970      0.512277      4.949417
  C      -5.404581     -0.848283      5.341219
  C      -7.837386     -4.588664      9.026576
  H     -10.555855     -0.102033      6.015007
  H     -10.604879     -0.820255      7.638257
  H     -11.747103      0.493937      7.194464
  H      -8.358156     -0.288303      7.766379
  H      -6.238417     -0.401140      8.308357
  H      -4.125373      0.696887      8.983100
  H      -6.537349      6.822789      8.216410
  H      -7.890986      5.673037      8.060576
  H      -8.234363      4.757345      5.855764
  H      -7.246519      3.588241      3.873398
  H      -4.206879      5.647947      7.199133
  H      -8.266235      3.389118      8.376218
  H       2.270880     -2.396152      7.013127
  H       0.959693     -1.667336      7.991891
  H       1.062968     -3.441302      7.792824
  H       1.428380     -3.845476      5.203376
  H       1.813849     -3.686067      2.776210
  H       0.692919     -3.935961      0.543548
  H      -3.787024     -2.942046      0.316944
  H      -5.312610     -3.116327      1.234155
  H      -6.564429     -1.129618      1.392490
  H      -6.677643      1.274440      2.011001
  H      -2.241303     -0.846277      1.516324
  H      -2.066948     -3.106601      4.592438
  H      -9.383469     -7.302669     13.824882
  H      -8.281172     -5.897274     13.742309
  H      -9.966129     -5.727632     13.202691
  H      -8.548045     -4.876420     11.394772
  H      -7.995116     -7.970176      9.393074
  H      -7.282497     -7.820013      6.987346
  H      -7.503090     -3.409271      5.033881
  H      -5.837976     -3.444798      5.572409
  H      -8.771831     -1.131896      4.962559
  H      -8.424145      1.271270      4.379284
  H      -4.528252     -1.449844      5.577194
  H      -7.988849     -3.655779      9.574141
  N      -3.294612      4.508906      2.105831
  H      -3.301452      5.433201      2.545623
  H      -4.040522      4.494227      1.405434
  H      -2.418006      4.403310      1.589397
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.526784825507
  N      -3.193180      4.296668      4.907764
  Mo     -3.589830      2.742495      3.613449
  N      -4.054528      1.147468      4.860820
  C      -2.962653      0.459685      5.545121
  C      -1.895981      1.478726      5.843947
  N      -1.624334      2.263521      4.596696
  C      -0.960857      3.552568      4.953552
  C      -1.975614      4.453095      5.657723
  C      -0.771178      1.413741      3.698536
  C      -1.044591      1.744602      2.239959
  N      -2.458511      1.953553      2.035508
  H      -1.607264      5.495411      5.666308
  H      -2.102991      4.157086      6.716407
  H      -0.625484      4.018441      4.016762
  H      -0.076663      3.361153      5.587509
  H      -0.626642      0.953734      1.591457
  H      -0.528673      2.682134      1.968848
  H      -1.040081      0.369412      3.899523
  H       0.290771      1.545951      3.967940
  H      -3.284456      0.009950      6.499339
  H      -2.540425     -0.377994      4.959640
  H      -2.256801      2.173429      6.611608
  H      -0.973113      0.990182      6.193169
  C     -10.723046      0.125013      7.122065
  C      -9.749236      1.198629      7.572321
  O     -10.058910      2.393892      7.596614
  N      -8.522720      0.714737      7.944168
  C      -7.377708      1.428256      8.327197
  C      -6.202229      0.678022      8.496724
  C      -5.017165      1.293837      8.872685
  C      -5.005630      2.664858      9.102935
  F      -3.820159      3.251569      9.417528
  C      -6.156275      3.447700      8.940800
  C      -6.108182      4.936040      9.110973
  O      -5.488584      5.467630     10.023025
  C      -6.789310      5.774095      8.017150
  C      -6.292252      5.302699      6.673560
  C      -7.159536      4.744282      5.716044
  C      -6.621723      4.085512      4.611004
  N      -5.302139      4.001913      4.417542
  C      -4.447999      4.591080      5.316942
  C      -4.910435      5.264648      6.454493
  C      -7.344606      2.812783      8.538896
  C       1.253013     -2.455270      7.283361
  C       0.351159     -2.349556      6.069633
  O      -0.557578     -1.522290      5.978606
  N       0.633389     -3.259468      5.080070
  C      -0.021193     -3.355517      3.827455
  C       0.757801     -3.597518      2.684422
  C       0.139280     -3.731798      1.440578
  C      -1.237888     -3.599953      1.348105
  F      -1.785806     -3.764661      0.109811
  C      -2.056844     -3.358533      2.468220
  C      -3.542481     -3.264730      2.469111
  O      -4.179496     -3.563330      3.485860
  C      -4.282947     -2.691579      1.255984
  C      -4.381639     -1.191997      1.430512
  C      -5.643664     -0.577684      1.546055
  C      -5.723648      0.766921      1.869517
  N      -4.629524      1.534172      2.041230
  C      -3.386276      0.965415      1.846291
  C      -3.236523     -0.406020      1.574361
  C      -1.404943     -3.252854      3.717683
  C      -9.220712     -6.431619     13.220174
  C      -8.785180     -6.870612     11.833201
  O      -8.688419     -8.053232     11.508533
  N      -8.502945     -5.817560     10.991424
  C      -8.078652     -5.832217      9.649667
  C      -7.868654     -7.016483      8.918493
  C      -7.447499     -6.927279      7.590979
  C      -7.239441     -5.690837      6.999358
  F      -6.825746     -5.686947      5.702831
  C      -7.442519     -4.481539      7.693124
  C      -7.273252     -3.109552      7.152699
  O      -7.528966     -2.133512      7.882722
  C      -6.765704     -2.913746      5.732014
  C      -6.635482     -1.468800      5.355379
  C      -7.761162     -0.710303      5.007143
  C      -7.564892      0.622681      4.661941
  N      -6.375182      1.221780      4.616611
  C      -5.274538      0.507734      4.952187
  C      -5.390863     -0.852674      5.348043
  C      -7.865156     -4.598458      9.032781
  H     -10.581733     -0.078118      6.049879
  H     -10.582667     -0.821267      7.663104
  H     -11.744561      0.491793      7.269407
  H      -8.353069     -0.284522      7.795966
  H      -6.227788     -0.398470      8.317242
  H      -4.108730      0.700432      8.974617
  H      -6.531276      6.822377      8.220203
  H      -7.883852      5.669565      8.076363
  H      -8.238059      4.749456      5.871622
  H      -7.257874      3.579978      3.886200
  H      -4.205837      5.649563      7.193050
  H      -8.252917      3.392292      8.397823
  H       2.313343     -2.388027      6.997988
  H       1.010469     -1.644691      7.977211
  H       1.102289     -3.420158      7.789789
  H       1.466151     -3.830195      5.195273
  H       1.842596     -3.685756      2.767176
  H       0.714684     -3.945767      0.539600
  H      -3.766657     -2.945211      0.323328
  H      -5.288162     -3.132279      1.243289
  H      -6.557816     -1.155559      1.410708
  H      -6.687690      1.250227      2.023953
  H      -2.237750     -0.835421      1.500852
  H      -2.029427     -3.088367      4.593349
  H      -9.513371     -7.315828     13.794451
  H      -8.397055     -5.920159     13.740824
  H     -10.068395     -5.732714     13.166726
  H      -8.621205     -4.888160     11.386619
  H      -8.035056     -7.980223      9.391429
  H      -7.275822     -7.827682      7.000249
  H      -7.464655     -3.426373      5.048948
  H      -5.807850     -3.443910      5.612835
  H      -8.760055     -1.146106      4.998266
  H      -8.423129      1.255165      4.401965
  H      -4.511009     -1.451918      5.576566
  H      -8.025483     -3.666186      9.578866
  N      -3.336101      4.513817      2.098942
  H      -3.284543      5.433398      2.545549
  H      -4.120547      4.533553      1.441918
  H      -2.494956      4.379007      1.532387
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.527009750017
  N      -3.199957      4.293442      4.897951
  Mo     -3.597465      2.739904      3.601972
  N      -4.049919      1.142751      4.852690
  C      -2.953267      0.459182      5.532574
  C      -1.887119      1.481340      5.823695
  N      -1.626113      2.267386      4.574732
  C      -0.964760      3.558572      4.928148
  C      -1.978273      4.454734      5.640016
  C      -0.775938      1.421548      3.670552
  C      -1.053869      1.758234      2.213849
  N      -2.469231      1.962784      2.012194
  H      -1.614025      5.498535      5.646963
  H      -2.097358      4.157416      6.699321
  H      -0.637818      4.026587      3.989510
  H      -0.075773      3.369829      5.556193
  H      -0.634034      0.971775      1.561117
  H      -0.542462      2.698960      1.945553
  H      -1.044946      0.376404      3.867433
  H       0.287010      1.551647      3.937110
  H      -3.268781      0.010582      6.489449
  H      -2.532115     -0.379346      4.947101
  H      -2.245456      2.174989      6.593393
  H      -0.960284      0.996234      6.166813
  C     -10.702316      0.106923      7.162682
  C      -9.727733      1.183761      7.603371
  O     -10.040326      2.378258      7.626997
  N      -8.498083      0.703427      7.969788
  C      -7.352093      1.421215      8.341557
  C      -6.172048      0.675772      8.501049
  C      -4.986254      1.296827      8.866472
  C      -4.978211      2.667864      9.095990
  F      -3.792120      3.259539      9.399088
  C      -6.133352      3.445934      8.943577
  C      -6.090504      4.934137      9.112372
  O      -5.466732      5.469452     10.019510
  C      -6.783591      5.767865      8.022765
  C      -6.292980      5.296505      6.676636
  C      -7.163459      4.734399      5.724652
  C      -6.629248      4.075168      4.617874
  N      -5.310553      3.993834      4.418347
  C      -4.453502      4.586020      5.312352
  C      -4.912236      5.261996      6.450173
  C      -7.322278      2.805811      8.552400
  C       1.287031     -2.426581      7.276570
  C       0.379468     -2.325409      6.066514
  O      -0.536242     -1.505520      5.980946
  N       0.665564     -3.230815      5.073895
  C       0.006966     -3.332568      3.824129
  C       0.782760     -3.575725      2.679190
  C       0.160567     -3.716272      1.438026
  C      -1.217451     -3.589521      1.349549
  F      -1.768352     -3.760509      0.113498
  C      -2.033337     -3.346495      2.471485
  C      -3.519721     -3.258263      2.477709
  O      -4.151587     -3.552139      3.498956
  C      -4.267358     -2.696683      1.263625
  C      -4.375952     -1.197552      1.433967
  C      -5.641605     -0.591051      1.553501
  C      -5.728413      0.754152      1.872843
  N      -4.638150      1.528605      2.036239
  C      -3.392080      0.967621      1.836049
  C      -3.235212     -0.404053      1.569165
  C      -1.377574     -3.234505      3.718258
  C      -9.321018     -6.435900     13.203940
  C      -8.871202     -6.875002     11.821605
  O      -8.780855     -8.057516     11.494735
  N      -8.567770     -5.822229     10.986761
  C      -8.125951     -5.837224      9.650695
  C      -7.917199     -7.021549      8.918906
  C      -7.477371     -6.932491      7.597538
  C      -7.250463     -5.696383      7.012082
  F      -6.817349     -5.692696      5.721883
  C      -7.452701     -4.487036      7.705943
  C      -7.266407     -3.115632      7.170722
  O      -7.514887     -2.139363      7.903034
  C      -6.751492     -2.920590      5.752272
  C      -6.624153     -1.476401      5.371064
  C      -7.753271     -0.720804      5.027282
  C      -7.560887      0.610819      4.674812
  N      -6.372302      1.211389      4.619905
  C      -5.268468      0.501127      4.952228
  C      -5.380494     -0.858742      5.352567
  C      -7.893276     -4.603992      9.040001
  H     -10.589721     -0.074216      6.083201
  H     -10.536654     -0.847190      7.682178
  H     -11.723284      0.459675      7.344948
  H      -8.325884     -0.295599      7.820937
  H      -6.194410     -0.400731      8.322008
  H      -4.074039      0.708350      8.960435
  H      -6.527988      6.817361      8.222619
  H      -7.877262      5.659345      8.089652
  H      -8.241211      4.736470      5.885813
  H      -7.267622      3.566752      3.897032
  H      -4.205183      5.650176      7.184665
  H      -8.234098      3.381523      8.418341
  H       2.346213     -2.360953      6.986621
  H       1.047589     -1.613519      7.968625
  H       1.137971     -3.389420      7.787465
  H       1.502511     -3.795950      5.186379
  H       1.868160     -3.660011      2.758517
  H       0.733788     -3.931029      0.535824
  H      -3.751566     -2.949310      0.330585
  H      -5.269340     -3.144932      1.254916
  H      -6.552351     -1.175576      1.423901
  H      -6.694390      1.232290      2.031024
  H      -2.234606     -0.828656      1.491608
  H      -1.998814     -3.068550      4.595935
  H      -9.638248     -7.317891     13.768507
  H      -8.496502     -5.942313     13.740296
  H     -10.154947     -5.721405     13.141184
  H      -8.683157     -4.892805     11.382758
  H      -8.098485     -7.985098      9.386720
  H      -7.305259     -7.832876      7.006871
  H      -7.442779     -3.438248      5.065462
  H      -5.790395     -3.447128      5.642509
  H      -8.751787     -1.157578      5.028000
  H      -8.421516      1.240984      4.416945
  H      -4.498383     -1.456611      5.575876
  H      -8.052344     -3.671841      9.586691
  N      -3.374262      4.514642      2.092585
  H      -3.263497      5.428787      2.539659
  H      -4.193270      4.568950      1.481063
  H      -2.572468      4.349780      1.478532
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.527244451538
  N      -3.206490      4.291129      4.886131
  Mo     -3.606689      2.739185      3.587670
  N      -4.046404      1.140286      4.842097
  C      -2.944267      0.459082      5.514643
  C      -1.877953      1.483407      5.798020
  N      -1.628512      2.271651      4.547934
  C      -0.968774      3.564592      4.898192
  C      -1.979946      4.456251      5.619077
  C      -0.782198      1.430222      3.636696
  C      -1.066166      1.773051      2.182655
  N      -2.483203      1.972860      1.985443
  H      -1.619263      5.501339      5.624458
  H      -2.089754      4.157344      6.678953
  H      -0.650928      4.035070      3.957720
  H      -0.074522      3.377869      5.519344
  H      -0.645116      0.991184      1.525085
  H      -0.559706      2.717008      1.916778
  H      -1.050882      0.384184      3.829534
  H       0.281970      1.558409      3.899432
  H      -3.251978      0.010185      6.473892
  H      -2.525820     -0.379255      4.926650
  H      -2.232531      2.175545      6.570788
  H      -0.946977      1.001158      6.133648
  C     -10.680284      0.093566      7.197957
  C      -9.705518      1.172695      7.632653
  O     -10.020149      2.366655      7.655053
  N      -8.473518      0.695022      7.994828
  C      -7.326548      1.415765      8.357409
  C      -6.143181      0.673638      8.508722
  C      -4.956675      1.298592      8.865120
  C      -4.950897      2.669803      9.093617
  F      -3.764268      3.265183      9.387340
  C      -6.109190      3.444518      8.949149
  C      -6.070352      4.932711      9.115985
  O      -5.441992      5.471562     10.017934
  C      -6.774353      5.762385      8.030255
  C      -6.291091      5.290487      6.681540
  C      -7.165856      4.725588      5.735336
  C      -6.636763      4.066382      4.625971
  N      -5.319129      3.986983      4.418993
  C      -4.458057      4.581555      5.307381
  C      -4.911659      5.258822      6.446658
  C      -7.298936      2.800459      8.567250
  C       1.304198     -2.406270      7.285983
  C       0.394771     -2.307444      6.077018
  O      -0.527354     -1.494485      5.995594
  N       0.686978     -3.207346      5.081079
  C       0.027665     -3.313281      3.832352
  C       0.803163     -3.557376      2.687442
  C       0.180602     -3.702777      1.447138
  C      -1.197925     -3.580130      1.359196
  F      -1.748663     -3.756233      0.123861
  C      -2.013634     -3.335959      2.481012
  C      -3.500708     -3.252549      2.488874
  O      -4.129798     -3.541400      3.513130
  C      -4.252559     -2.702571      1.272077
  C      -4.371827     -1.203725      1.437427
  C      -5.641276     -0.605401      1.560003
  C      -5.735597      0.740521      1.874117
  N      -4.649683      1.522997      2.028449
  C      -3.400612      0.970054      1.823872
  C      -3.235915     -0.402115      1.563761
  C      -1.357300     -3.218779      3.726860
  C      -9.402844     -6.442884     13.184698
  C      -8.942120     -6.881120     11.805705
  O      -8.857764     -8.063258     11.475915
  N      -8.620897     -5.828189     10.977687
  C      -8.164534     -5.842715      9.646517
  C      -7.956870     -7.026565      8.913462
  C      -7.501224     -6.936988      7.597558
  C      -7.258359     -5.700949      7.018308
  F      -6.808672     -5.697014      5.733793
  C      -7.459913     -4.492028      7.713046
  C      -7.258943     -3.120577      7.183648
  O      -7.500580     -2.144869      7.918953
  C      -6.738036     -2.924953      5.767362
  C      -6.614049     -1.481134      5.383475
  C      -7.746602     -0.727692      5.045899
  C      -7.558041      0.603089      4.688215
  N      -6.370499      1.204699      4.623668
  C      -5.263445      0.497285      4.950665
  C      -5.371299     -0.862270      5.354141
  C      -7.915665     -4.609673      9.042027
  H     -10.595685     -0.063207      6.112102
  H     -10.490749     -0.868982      7.692925
  H     -11.699721      0.431470      7.414498
  H      -8.299926     -0.304031      7.846373
  H      -6.163644     -0.402877      8.330041
  H      -4.041366      0.714011      8.952524
  H      -6.520402      6.812939      8.226708
  H      -7.867166      5.650718      8.104887
  H      -8.242697      4.725229      5.902710
  H      -7.278161      3.555888      3.909289
  H      -4.201349      5.649632      7.176600
  H      -8.213453      3.373182      8.438604
  H       2.363200     -2.342887      6.994925
  H       1.066346     -1.591285      7.976353
  H       1.154434     -3.367449      7.799874
  H       1.527681     -3.767089      5.192525
  H       1.888867     -3.638569      2.766230
  H       0.753921     -3.918062      0.545129
  H      -3.735347     -2.954426      0.339756
  H      -5.251043     -3.158636      1.265120
  H      -6.548199     -1.197165      1.436588
  H      -6.703762      1.213154      2.035476
  H      -2.233434     -0.821740      1.482678
  H      -1.977275     -3.051660      4.605105
  H      -9.742327     -7.322900     13.739334
  H      -8.576945     -5.967174     13.734938
  H     -10.223296     -5.713502     13.115955
  H      -8.733505     -4.899072     11.375182
  H      -8.150744     -7.990112      9.376190
  H      -7.328652     -7.837011      7.006460
  H      -7.421861     -3.447367      5.076951
  H      -5.773688     -3.447453      5.665556
  H      -8.744714     -1.165249      5.056108
  H      -8.421115      1.231388      4.433965
  H      -4.486947     -1.459221      5.571019
  H      -8.073427     -3.677975      9.589891
  N      -3.414503      4.518228      2.084174
  H      -3.244532      5.424488      2.528643
  H      -4.265047      4.607957      1.521686
  H      -2.656667      4.325102      1.423905
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.527482829089
  N      -3.212532      4.287878      4.875016
  Mo     -3.615042      2.736931      3.574684
  N      -4.043455      1.136807      4.833034
  C      -2.936281      0.458074      5.499161
  C      -1.869901      1.484423      5.774877
  N      -1.631083      2.274168      4.523532
  C      -0.972691      3.568701      4.870663
  C      -1.981572      4.456574      5.599652
  C      -0.788492      1.436724      3.605755
  C      -1.077526      1.786097      2.154034
  N      -2.495992      1.982394      1.960179
  H      -1.623981      5.502762      5.603466
  H      -2.083016      4.156462      6.660032
  H      -0.663283      4.041276      3.928485
  H      -0.073612      3.383931      5.485407
  H      -0.655623      1.008454      1.491893
  H      -0.575096      2.732845      1.890968
  H      -1.057418      0.389898      3.794350
  H       0.276778      1.562590      3.865244
  H      -3.237015      0.009454      6.460730
  H      -2.520499     -0.380356      4.909177
  H      -2.220992      2.175447      6.550187
  H      -0.935273      1.004813      6.103840
  C     -10.656342      0.078093      7.230670
  C      -9.681826      1.159504      7.660061
  O      -9.999659      2.352576      7.683875
  N      -8.446877      0.685026      8.016611
  C      -7.299469      1.409371      8.370409
  C      -6.112341      0.671370      8.513099
  C      -4.925494      1.300882      8.860628
  C      -4.922951      2.672102      9.088662
  F      -3.736171      3.271788      9.372976
  C      -6.084939      3.442699      8.952622
  C      -6.050745      4.930907      9.118115
  O      -5.418449      5.473175     10.015292
  C      -6.765875      5.756494      8.036464
  C      -6.289490      5.284431      6.685247
  C      -7.168118      4.716843      5.744541
  C      -6.643502      4.057547      4.632962
  N      -5.326945      3.979920      4.419194
  C      -4.462398      4.576668      5.302194
  C      -4.911409      5.255536      6.442533
  C      -7.275012      2.794094      8.579957
  C       1.321456     -2.385760      7.294481
  C       0.409126     -2.288961      6.087422
  O      -0.520360     -1.484030      6.011725
  N       0.707801     -3.181571      5.086754
  C       0.047215     -3.290981      3.839266
  C       0.822326     -3.533725      2.693789
  C       0.199024     -3.683397      1.454493
  C      -1.180147     -3.566566      1.367713
  F      -1.730968     -3.747011      0.133069
  C      -1.995612     -3.323599      2.489940
  C      -3.483336     -3.246883      2.499740
  O      -4.109455     -3.532803      3.526589
  C      -4.239778     -2.707377      1.281190
  C      -4.368327     -1.208909      1.442055
  C      -5.641091     -0.617736      1.567088
  C      -5.742102      0.728867      1.875905
  N      -4.660154      1.518488      2.021684
  C      -3.408430      0.972585      1.813148
  C      -3.236777     -0.400175      1.560206
  C      -1.338333     -3.201729      3.734776
  C      -9.482027     -6.447463     13.167113
  C      -9.012172     -6.885310     11.791131
  O      -8.935027     -8.067073     11.458275
  N      -8.673056     -5.832671     10.969806
  C      -8.203118     -5.847311      9.643400
  C      -7.997819     -7.030915      8.909044
  C      -7.527347     -6.941488      7.598459
  C      -7.268152     -5.705909      7.025220
  F      -6.803126     -5.702321      5.746195
  C      -7.467562     -4.497205      7.720892
  C      -7.251199     -3.126085      7.197028
  O      -7.484835     -2.150807      7.935439
  C      -6.725688     -2.930484      5.782414
  C      -6.604467     -1.487156      5.395427
  C      -7.740181     -0.736172      5.062561
  C      -7.555333      0.593648      4.699505
  N      -6.368967      1.196626      4.626538
  C      -5.258932      0.492202      4.949512
  C      -5.362745     -0.866884      5.356570
  C      -7.937643     -4.614874      9.044955
  H     -10.602109     -0.051866      6.139330
  H     -10.441955     -0.893039      7.697727
  H     -11.673025      0.399068      7.483610
  H      -8.271066     -0.313629      7.866989
  H      -6.130090     -0.405138      8.334464
  H      -4.006778      0.720745      8.941271
  H      -6.514132      6.808193      8.229707
  H      -7.857714      5.641179      8.118656
  H      -8.244047      4.714137      5.917800
  H      -7.287631      3.545052      3.920146
  H      -4.198088      5.648864      7.168182
  H      -8.192483      3.363394      8.457190
  H       2.379977     -2.323105      7.001580
  H       1.084810     -1.569933      7.984300
  H       1.172323     -3.346077      7.810245
  H       1.553135     -3.734824      5.195608
  H       1.908442     -3.610612      2.771514
  H       0.772324     -3.897533      0.552191
  H      -3.722002     -2.958444      0.349090
  H      -5.235211     -3.170156      1.276724
  H      -6.544631     -1.215798      1.449324
  H      -6.712142      1.196728      2.039838
  H      -2.232578     -0.815251      1.476217
  H      -1.957264     -3.035191      4.613808
  H      -9.843969     -7.324709     13.711864
  H      -8.654121     -5.990749     13.730314
  H     -10.288006     -5.702589     13.093524
  H      -8.781836     -4.903784     11.368885
  H      -8.204598     -7.994148      9.366796
  H      -7.355428     -7.841354      7.006912
  H      -7.403478     -3.456898      5.089343
  H      -5.758746     -3.449710      5.687202
  H      -8.737773     -1.174669      5.081244
  H      -8.420685      1.219947      4.447960
  H      -4.476362     -1.462603      5.568641
  H      -8.093079     -3.683452      9.593978
  N      -3.452422      4.520073      2.077473
  H      -3.223752      5.416953      2.514471
  H      -4.330160      4.645441      1.565699
  H      -2.741983      4.299382      1.374143
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.527722672939
  N      -3.217638      4.284417      4.862403
  Mo     -3.624264      2.735248      3.559806
  N      -4.041679      1.134292      4.822326
  C      -2.929244      0.456700      5.480314
  C      -1.861848      1.484102      5.747953
  N      -1.634031      2.275710      4.495652
  C      -0.976190      3.571395      4.839738
  C      -1.981713      4.455674      5.577835
  C      -0.796114      1.442353      3.570530
  C      -1.091195      1.798798      2.121657
  N      -2.511182      1.991771      1.932492
  H      -1.626615      5.502749      5.580133
  H      -2.074178      4.154169      6.638650
  H      -0.675646      4.046237      3.895875
  H      -0.071981      3.387923      5.447299
  H      -0.669302      1.025402      1.454434
  H      -0.592783      2.748205      1.861156
  H      -1.065540      0.394772      3.754555
  H       0.270451      1.565471      3.826090
  H      -3.222220      0.007924      6.444141
  H      -2.517629     -0.381583      4.887001
  H      -2.208314      2.173958      6.526338
  H      -0.923652      1.006495      6.069423
  C     -10.633294      0.069553      7.257005
  C      -9.658226      1.151838      7.682723
  O      -9.976643      2.344778      7.704414
  N      -8.422290      0.678621      8.037738
  C      -7.274026      1.404719      8.384896
  C      -6.084837      0.668796      8.522117
  C      -4.897354      1.301074      8.862509
  C      -4.896096      2.672523      9.088918
  F      -3.708856      3.274628      9.366100
  C      -6.060042      3.440954      8.958378
  C      -6.028683      4.929185      9.122031
  O      -5.392026      5.474413     10.014341
  C      -6.753698      5.751154      8.044164
  C      -6.285035      5.278226      6.690458
  C      -7.168458      4.709055      5.755448
  C      -6.649581      4.049900      4.641007
  N      -5.334314      3.973409      4.419342
  C      -4.465298      4.571509      5.296742
  C      -4.908518      5.251075      6.439133
  C      -7.250749      2.789599      8.592878
  C       1.327861     -2.369998      7.313377
  C       0.414193     -2.274196      6.107154
  O      -0.523536     -1.478478      6.037511
  N       0.721824     -3.157244      5.100575
  C       0.061972     -3.269169      3.853198
  C       0.838674     -3.509037      2.708166
  C       0.216765     -3.662079      1.468693
  C      -1.162942     -3.551698      1.380974
  F      -1.711767     -3.735463      0.145953
  C      -1.980116     -3.311434      2.502520
  C      -3.468478     -3.241823      2.511889
  O      -4.093103     -3.525138      3.540313
  C      -4.227789     -2.712773      1.290633
  C      -4.366218     -1.214704      1.446634
  C      -5.642422     -0.630883      1.573512
  C      -5.750515      0.716462      1.876401
  N      -4.672866      1.513647      2.013146
  C      -3.418434      0.974890      1.801024
  C      -3.239379     -0.398552      1.556417
  C      -1.324023     -3.185752      3.747543
  C      -9.548475     -6.454827     13.148414
  C      -9.071070     -6.891456     11.774696
  O      -8.999810     -8.072639     11.438514
  N      -8.717054     -5.838681     10.959787
  C      -8.235150     -5.852766      9.637702
  C      -8.031016     -7.035749      8.901824
  C      -7.547343     -6.945881      7.596181
  C      -7.274462     -5.710476      7.028822
  F      -6.795595     -5.706660      5.754956
  C      -7.472887     -4.502379      7.725713
  C      -7.243373     -3.131234      7.207519
  O      -7.469635     -2.156961      7.949414
  C      -6.714457     -2.934847      5.794316
  C      -6.596357     -1.491796      5.405068
  C      -7.735145     -0.742994      5.077420
  C      -7.553907      0.586212      4.710258
  N      -6.368689      1.190416      4.629139
  C      -5.255687      0.488501      4.947102
  C      -5.355664     -0.870255      5.356979
  C      -7.955763     -4.620627      9.045147
  H     -10.605996     -0.035824      6.161998
  H     -10.398959     -0.909030      7.697990
  H     -11.646309      0.375806      7.541613
  H      -8.246110     -0.320305      7.889448
  H      -6.101462     -0.407742      8.344129
  H      -3.976424      0.723878      8.938633
  H      -6.503044      6.803765      8.233948
  H      -7.844619      5.633425      8.134040
  H      -8.243370      4.704921      5.935029
  H      -7.297228      3.536215      3.932222
  H      -4.191481      5.646186      7.160147
  H      -8.169965      3.356841      8.473605
  H       2.386257     -2.306548      7.020272
  H       1.090611     -1.554671      8.003614
  H       1.179614     -3.330403      7.829309
  H       1.572420     -3.702833      5.207154
  H       1.925095     -3.581104      2.786536
  H       0.791638     -3.873830      0.566829
  H      -3.708285     -2.962955      0.359360
  H      -5.219979     -3.182519      1.287272
  H      -6.542310     -1.235563      1.461729
  H      -6.722532      1.179407      2.042588
  H      -2.233416     -0.808971      1.469994
  H      -1.943298     -3.021021      4.626585
  H      -9.930525     -7.329580     13.683380
  H      -8.718750     -6.016245     13.723261
  H     -10.340886     -5.695827     13.071976
  H      -8.822905     -4.910273     11.360732
  H      -8.248578     -7.998891      9.354729
  H      -7.375252     -7.845327      7.004035
  H      -7.386476     -3.465180      5.098873
  H      -5.744869     -3.450422      5.704605
  H      -8.732164     -1.182392      5.104338
  H      -8.421512      1.210758      4.462069
  H      -4.467351     -1.464993      5.563785
  H      -8.109711     -3.689725      9.595495
  N      -3.490516      4.522997      2.069782
  H      -3.203172      5.408097      2.495791
  H      -4.391609      4.685082      1.611572
  H      -2.831463      4.276467      1.325739
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.528080268744
  N      -3.214365      4.273929      4.849160
  Mo     -3.624204      2.740760      3.528172
  N      -4.072715      1.131255      4.769030
  C      -2.971132      0.440466      5.433383
  C      -1.894236      1.454374      5.716047
  N      -1.645917      2.252654      4.473048
  C      -0.978448      3.539598      4.830863
  C      -1.978695      4.429606      5.569873
  C      -0.803718      1.426018      3.546172
  C      -1.081967      1.811446      2.099327
  N      -2.499264      2.017118      1.899137
  H      -1.612891      5.472944      5.576980
  H      -2.078246      4.126441      6.629513
  H      -0.671139      4.018772      3.891313
  H      -0.077675      3.344096      5.439471
  H      -0.662833      1.043851      1.423815
  H      -0.573766      2.759697      1.856234
  H      -1.081395      0.376942      3.708926
  H       0.260609      1.537177      3.815413
  H      -3.281113     -0.007752      6.392084
  H      -2.571287     -0.397532      4.832342
  H      -2.240862      2.141973      6.495892
  H      -0.963192      0.967850      6.046455
  C     -10.618417     -0.039472      7.545804
  C      -9.635745      1.056299      7.911186
  O      -9.958254      2.248397      7.905778
  N      -8.382288      0.600625      8.225334
  C      -7.227946      1.345926      8.506919
  C      -6.029487      0.623009      8.631704
  C      -4.837915      1.273496      8.917960
  C      -4.841239      2.650576      9.102168
  F      -3.651732      3.267451      9.332942
  C      -6.014103      3.406966      8.980109
  C      -5.994958      4.897942      9.123551
  O      -5.356384      5.458830     10.003884
  C      -6.747556      5.701934      8.050151
  C      -6.281038      5.243396      6.690978
  C      -7.164753      4.694144      5.746281
  C      -6.646092      4.057916      4.618375
  N      -5.331346      3.978367      4.395417
  C      -4.462567      4.561471      5.281962
  C      -4.906189      5.220348      6.436266
  C      -7.209234      2.736995      8.666865
  C       1.192382     -2.404589      7.421520
  C       0.306357     -2.284432      6.197320
  O      -0.643076     -1.502802      6.133193
  N       0.652065     -3.131873      5.171848
  C       0.026792     -3.228538      3.904629
  C       0.841358     -3.437635      2.779516
  C       0.258714     -3.576836      1.519511
  C      -1.118719     -3.484997      1.391348
  F      -1.628218     -3.653817      0.136914
  C      -1.973949     -3.278523      2.490245
  C      -3.461208     -3.230361      2.448086
  O      -4.117730     -3.514332      3.456622
  C      -4.179751     -2.690020      1.208932
  C      -4.329815     -1.193771      1.367884
  C      -5.611530     -0.612960      1.450444
  C      -5.734085      0.732336      1.755488
  N      -4.665498      1.533845      1.927737
  C      -3.403495      0.999518      1.749593
  C      -3.211359     -0.373832      1.516366
  C      -1.357318     -3.164202      3.757577
  C      -9.544361     -6.321223     13.138950
  C      -9.057602     -6.784240     11.777595
  O      -8.961831     -7.972396     11.473697
  N      -8.726710     -5.747106     10.933572
  C      -8.235979     -5.788080      9.615539
  C      -7.995521     -6.986846      8.916653
  C      -7.503781     -6.924387      7.612858
  C      -7.256015     -5.700002      7.010782
  F      -6.770632     -5.721800      5.739939
  C      -7.488221     -4.477825      7.671024
  C      -7.276967     -3.116843      7.116929
  O      -7.535464     -2.127541      7.827333
  C      -6.737606     -2.951254      5.704137
  C      -6.621270     -1.516335      5.284787
  C      -7.756233     -0.785948      4.908046
  C      -7.578321      0.546481      4.548965
  N      -6.398792      1.168062      4.513452
  C      -5.286522      0.477326      4.861791
  C      -5.385737     -0.882223      5.268044
  C      -7.981897     -4.567693      8.988267
  H     -10.638654     -0.155540      6.451705
  H     -10.358121     -1.010802      7.987544
  H     -11.620586      0.262858      7.870994
  H      -8.206773     -0.403035      8.108065
  H      -6.042958     -0.456914      8.485240
  H      -3.911035      0.704662      8.987733
  H      -6.514906      6.759382      8.237235
  H      -7.834822      5.564274      8.151585
  H      -8.240020      4.694127      5.923394
  H      -7.294710      3.560599      3.898746
  H      -4.187844      5.602086      7.163176
  H      -8.136465      3.292760      8.559645
  H       2.256667     -2.320710      7.157004
  H       0.928478     -1.612876      8.129379
  H       1.042560     -3.381323      7.905251
  H       1.512741     -3.660490      5.283465
  H       1.925695     -3.494529      2.889788
  H       0.863589     -3.763018      0.631833
  H      -3.629864     -2.929687      0.291477
  H      -5.170718     -3.160434      1.168602
  H      -6.505312     -1.220768      1.310398
  H      -6.711771      1.192301      1.893243
  H      -2.200908     -0.779885      1.465018
  H      -2.005737     -3.025396      4.619639
  H      -9.910304     -7.188943     13.696163
  H      -8.721649     -5.855222     13.702007
  H     -10.350608     -5.578854     13.045897
  H      -8.855292     -4.810623     11.308023
  H      -8.192861     -7.941316      9.396212
  H      -7.305313     -7.836630      7.049352
  H      -7.395763     -3.504306      5.013257
  H      -5.761618     -3.457412      5.633906
  H      -8.748404     -1.238718      4.905065
  H      -8.445605      1.160440      4.274410
  H      -4.498378     -1.465523      5.510203
  H      -8.161210     -3.624643      9.509480
  N      -3.463785      4.545789      2.055737
  H      -3.170443      5.421133      2.495851
  H      -4.362383      4.722292      1.598724
  H      -2.798925      4.296633      1.317088
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.527217675004
  N      -3.220980      4.270535      4.893700
  Mo     -3.666696      2.756758      3.561327
  N      -4.152748      1.150710      4.792367
  C      -3.064370      0.433454      5.450966
  C      -1.960353      1.419861      5.732876
  N      -1.695069      2.219851      4.495896
  C      -0.999948      3.491236      4.855999
  C      -1.976457      4.399247      5.604834
  C      -0.866343      1.388252      3.562419
  C      -1.138263      1.796258      2.119583
  N      -2.552695      2.024549      1.925076
  H      -1.589031      5.434832      5.608281
  H      -2.073763      4.099597      6.665697
  H      -0.692081      3.968422      3.915650
  H      -0.098300      3.275617      5.456136
  H      -0.736048      1.027716      1.435217
  H      -0.614936      2.737204      1.881700
  H      -1.161466      0.342024      3.710463
  H       0.199377      1.475925      3.833946
  H      -3.385512     -0.005190      6.410202
  H      -2.696834     -0.413639      4.841077
  H      -2.291010      2.110783      6.516261
  H      -1.037487      0.916729      6.062784
  C     -10.365427     -0.039544      7.008126
  C      -9.433068      1.033908      7.532468
  O      -9.779806      2.216559      7.611471
  N      -8.184011      0.575484      7.859525
  C      -7.062942      1.317279      8.258375
  C      -5.851093      0.614409      8.377668
  C      -4.691397      1.266907      8.768715
  C      -4.737510      2.624897      9.055053
  F      -3.574260      3.250474      9.379913
  C      -5.923589      3.360549      8.941751
  C      -5.951277      4.836187      9.184020
  O      -5.330363      5.360438     10.098513
  C      -6.714893      5.675869      8.148321
  C      -6.261094      5.257987      6.772510
  C      -7.157579      4.748414      5.820769
  C      -6.656634      4.124528      4.678363
  N      -5.345344      4.017969      4.447005
  C      -4.461867      4.575685      5.335982
  C      -4.889015      5.219143      6.505551
  C      -7.087298      2.689713      8.529806
  C       1.016576     -2.440590      7.549704
  C       0.148050     -2.303396      6.314722
  O      -0.815501     -1.539307      6.259764
  N       0.525921     -3.119301      5.274333
  C      -0.073328     -3.209469      3.993855
  C       0.767532     -3.395672      2.884027
  C       0.213338     -3.525560      1.610196
  C      -1.161892     -3.446994      1.452989
  F      -1.642715     -3.605187      0.185654
  C      -2.043426     -3.264611      2.534497
  C      -3.529128     -3.226348      2.457204
  O      -4.206295     -3.501691      3.454202
  C      -4.219620     -2.674093      1.208910
  C      -4.378715     -1.180435      1.376787
  C      -5.662162     -0.599918      1.443794
  C      -5.788535      0.743042      1.760051
  N      -4.723419      1.545247      1.943665
  C      -3.461064      1.013063      1.769062
  C      -3.264565     -0.360041      1.542020
  C      -1.455293     -3.160938      3.816672
  C      -9.318761     -6.364874     13.246310
  C      -8.884424     -6.811553     11.862171
  O      -8.787914     -7.996290     11.545512
  N      -8.604810     -5.764750     11.011881
  C      -8.165164     -5.790944      9.675592
  C      -7.931562     -6.982075      8.960473
  C      -7.489911     -6.904685      7.639846
  C      -7.283297     -5.673237      7.036384
  F      -6.847919     -5.679525      5.747572
  C      -7.508781     -4.459173      7.712738
  C      -7.329573     -3.092804      7.161980
  O      -7.573742     -2.112992      7.890144
  C      -6.839554     -2.915495      5.730812
  C      -6.724102     -1.479728      5.309094
  C      -7.856903     -0.742981      4.940010
  C      -7.672496      0.592888      4.592065
  N      -6.489090      1.209704      4.555237
  C      -5.376558      0.510102      4.885530
  C      -5.484838     -0.852942      5.279237
  C      -7.953729     -4.563693      9.046337
  H     -10.326360     -0.037216      5.908359
  H     -10.100827     -1.045653      7.358675
  H     -11.390468      0.204738      7.310544
  H      -7.980267     -0.412531      7.664381
  H      -5.828049     -0.445524      8.135218
  H      -3.753320      0.717352      8.831962
  H      -6.483883      6.727469      8.369183
  H      -7.800188      5.529571      8.255077
  H      -8.232116      4.766595      6.002035
  H      -7.317710      3.652972      3.952705
  H      -4.160228      5.572423      7.236378
  H      -8.022463      3.230651      8.417145
  H       2.083671     -2.335052      7.305718
  H       0.729402     -1.670674      8.272480
  H       0.873851     -3.430585      8.007998
  H       1.396931     -3.629613      5.391551
  H       1.849791     -3.438380      3.017168
  H       0.839577     -3.691399      0.733513
  H      -3.651589     -2.901125      0.298628
  H      -5.208578     -3.145685      1.140924
  H      -6.552698     -1.210241      1.294565
  H      -6.766499      1.202486      1.897261
  H      -2.253953     -0.768296      1.503695
  H      -2.120520     -3.041612      4.668197
  H      -9.651266     -7.241746     13.810124
  H      -8.477258     -5.896246     13.778443
  H     -10.135834     -5.630242     13.196509
  H      -8.731470     -4.832677     11.397684
  H      -8.095466     -7.942469      9.440555
  H      -7.298786     -7.810755      7.064091
  H      -7.512164     -3.469625      5.055249
  H      -5.863916     -3.416836      5.629270
  H      -8.851440     -1.191969      4.940862
  H      -8.538765      1.212657      4.327963
  H      -4.599593     -1.444354      5.509146
  H      -8.125998     -3.626349      9.580076
  N      -3.475819      4.569526      2.100444
  H      -3.160364      5.431564      2.550729
  H      -4.375134      4.770124      1.655670
  H      -2.820646      4.308726      1.357381
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.522274213311
  N      -3.150060      4.280480      4.802254
  Mo     -3.669759      2.706035      3.571054
  N      -4.209017      1.188219      4.894283
  C      -3.134690      0.473461      5.581236
  C      -1.996410      1.434589      5.801821
  N      -1.710812      2.148159      4.521523
  C      -0.962610      3.410313      4.795319
  C      -1.892604      4.404636      5.491992
  C      -0.917892      1.232747      3.636992
  C      -1.180263      1.573270      2.173219
  N      -2.585738      1.847562      1.973879
  H      -1.462783      5.420729      5.419076
  H      -1.989629      4.184878      6.572252
  H      -0.650420      3.814814      3.823079
  H      -0.062227      3.197727      5.398141
  H      -0.816702      0.752931      1.528814
  H      -0.621234      2.476931      1.880019
  H      -1.252161      0.207744      3.842147
  H       0.151330      1.292244      3.901496
  H      -3.465685      0.102779      6.564628
  H      -2.808379     -0.418922      5.012084
  H      -2.299913      2.179096      6.546072
  H      -1.087282      0.924711      6.158299
  C     -10.706610      0.981877      6.806244
  C      -9.668893      1.926184      7.375056
  O      -9.877853      3.139488      7.476557
  N      -8.490995      1.315847      7.717738
  C      -7.306482      1.919318      8.159752
  C      -6.176793      1.093789      8.322642
  C      -4.967588      1.625974      8.753084
  C      -4.878951      2.984439      9.023523
  F      -3.666062      3.495029      9.372879
  C      -5.978204      3.833464      8.862277
  C      -5.872128      5.307279      9.044767
  O      -5.223918      5.826730      9.942371
  C      -6.561285      6.122715      7.946414
  C      -6.128579      5.556513      6.616958
  C      -7.052279      5.023308      5.708896
  C      -6.590222      4.282235      4.620764
  N      -5.288645      4.092591      4.385956
  C      -4.372992      4.669575      5.229726
  C      -4.763115      5.410073      6.355488
  C      -7.192054      3.284523      8.426446
  C       0.853801     -2.508610      7.765206
  C      -0.022332     -2.391404      6.533069
  O      -0.990447     -1.634297      6.475618
  N       0.353603     -3.220216      5.502179
  C      -0.248013     -3.340017      4.225835
  C       0.589742     -3.559524      3.119527
  C       0.031032     -3.716379      1.850733
  C      -1.343812     -3.630306      1.693489
  F      -1.827493     -3.815383      0.430613
  C      -2.222421     -3.414216      2.770867
  C      -3.707063     -3.355904      2.695482
  O      -4.386053     -3.598663      3.699624
  C      -4.391880     -2.814679      1.441474
  C      -4.510564     -1.314452      1.572190
  C      -5.775430     -0.691825      1.631891
  C      -5.855849      0.664674      1.907101
  N      -4.766249      1.440512      2.044022
  C      -3.526681      0.862897      1.870231
  C      -3.372320     -0.523373      1.701821
  C      -1.629780     -3.285641      4.048775
  C      -8.733669     -7.267400     12.991353
  C      -8.335003     -7.546536     11.553877
  O      -8.181839     -8.685755     11.115845
  N      -8.156674     -6.405646     10.803220
  C      -7.770845     -6.272556      9.456868
  C      -7.491830     -7.370459      8.618093
  C      -7.110047     -7.135617      7.297697
  C      -7.005409     -5.840349      6.812975
  F      -6.626370     -5.691560      5.515170
  C      -7.277566     -4.715713      7.614819
  C      -7.200667     -3.295346      7.197602
  O      -7.473558     -2.414538      8.032823
  C      -6.774937     -2.956427      5.772620
  C      -6.726136     -1.489160      5.434513
  C      -7.883270     -0.775720      5.096459
  C      -7.736950      0.573110      4.769268
  N      -6.569344      1.223234      4.713845
  C      -5.435374      0.550431      5.025665
  C      -5.510118     -0.818478      5.413368
  C      -7.661812     -4.979085      8.946106
  H     -10.645292      1.018564      5.708337
  H     -10.563081     -0.058162      7.124693
  H     -11.703024      1.331676      7.101567
  H      -8.400655      0.310852      7.508865
  H      -6.253788      0.038215      8.079513
  H      -4.092267      0.985901      8.850136
  H      -6.263624      7.171646      8.088200
  H      -7.654031      6.053000      8.050602
  H      -8.123637      5.121378      5.883423
  H      -7.279684      3.798030      3.930638
  H      -4.012224      5.781536      7.054204
  H      -8.057795      3.921167      8.268270
  H       1.919509     -2.404236      7.515145
  H       0.568420     -1.729583      8.478916
  H       0.715802     -3.492116      8.238766
  H       1.228167     -3.723168      5.625707
  H       1.671820     -3.605439      3.252090
  H       0.654299     -3.907417      0.977080
  H      -3.839313     -3.072995      0.529973
  H      -5.394001     -3.260631      1.390713
  H      -6.685063     -1.280280      1.512999
  H      -6.815676      1.161749      2.041489
  H      -2.375269     -0.964912      1.669173
  H      -2.289494     -3.135660      4.899507
  H      -8.989292     -8.215257     13.474692
  H      -7.897022     -6.804256     13.535815
  H      -9.593090     -6.583602     13.049683
  H      -8.323499     -5.526085     11.285112
  H      -7.575705     -8.382113      9.004120
  H      -6.886964     -7.966963      6.628344
  H      -7.435433     -3.492494      5.071512
  H      -5.779283     -3.396029      5.602259
  H      -8.863557     -1.256267      5.089514
  H      -8.623058      1.170175      4.520108
  H      -4.606153     -1.391112      5.612586
  H      -7.869482     -4.111860      9.576808
  N      -3.426899      4.423988      2.004801
  H      -3.078204      5.298177      2.404809
  H      -4.323398      4.629255      1.557232
  H      -2.788106      4.089960      1.278401
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.525550332416
  N      -3.193333      4.274687      4.762393
  Mo     -3.614547      2.696167      3.500755
  N      -4.114232      1.140330      4.794211
  C      -3.027401      0.465449      5.507090
  C      -1.943540      1.475172      5.763639
  N      -1.659165      2.212656      4.494119
  C      -0.973045      3.502336      4.803798
  C      -1.962694      4.445031      5.487136
  C      -0.812999      1.336245      3.619007
  C      -1.048649      1.681196      2.154956
  N      -2.457627      1.907840      1.922985
  H      -1.576955      5.480293      5.442157
  H      -2.078512      4.201206      6.560420
  H      -0.648759      3.933185      3.846930
  H      -0.081831      3.319150      5.430222
  H      -0.635242      0.883107      1.511796
  H      -0.514493      2.609610      1.892450
  H      -1.118370      0.298243      3.809069
  H       0.246876      1.433975      3.910631
  H      -3.359495      0.070132      6.481024
  H      -2.630174     -0.403892      4.949729
  H      -2.296139      2.201020      6.506806
  H      -1.026255      0.994585      6.136797
  C     -10.841994      0.484322      7.703120
  C      -9.794473      1.534734      8.018737
  O     -10.061128      2.740341      8.010237
  N      -8.554256      1.020161      8.298822
  C      -7.355261      1.706815      8.541735
  C      -6.185351      0.936045      8.679229
  C      -4.961573      1.548028      8.931147
  C      -4.904248      2.930089      9.059195
  F      -3.686307      3.504087      9.248160
  C      -6.043849      3.728705      8.912572
  C      -5.977941      5.222641      8.973735
  O      -5.320078      5.819989      9.814887
  C      -6.714265      5.966381      7.846738
  C      -6.256094      5.402342      6.522970
  C      -7.144052      4.821854      5.599134
  C      -6.629487      4.111695      4.513155
  N      -5.314077      3.993069      4.300759
  C      -4.438593      4.603454      5.167883
  C      -4.881540      5.322938      6.285190
  C      -7.269358      3.098860      8.646258
  C       1.109836     -2.545359      7.575583
  C       0.225770     -2.425831      6.348996
  O      -0.757128     -1.685791      6.301565
  N       0.611080     -3.227855      5.302148
  C      -0.002872     -3.318494      4.031319
  C       0.820191     -3.513124      2.909505
  C       0.244645     -3.650206      1.645999
  C      -1.132850     -3.568627      1.511320
  F      -1.632198     -3.736832      0.252665
  C      -1.996163     -3.370395      2.607024
  C      -3.483419     -3.317180      2.562042
  O      -4.142054     -3.592892      3.572146
  C      -4.201598     -2.781488      1.321067
  C      -4.335174     -1.282177      1.466123
  C      -5.606917     -0.675819      1.537533
  C      -5.702942      0.679104      1.814548
  N      -4.620629      1.465963      1.962268
  C      -3.373452      0.902850      1.793429
  C      -3.203198     -0.479557      1.601635
  C      -1.385477     -3.260566      3.877254
  C      -9.202021     -6.818177     13.018054
  C      -8.769969     -7.187500     11.610547
  O      -8.659171     -8.352824     11.232441
  N      -8.504513     -6.094507     10.815006
  C      -8.067028     -6.046984      9.478994
  C      -7.821195     -7.196968      8.704540
  C      -7.385232     -7.047737      7.389036
  C      -7.196432     -5.784384      6.847632
  F      -6.766463     -5.723319      5.559390
  C      -7.433913     -4.608553      7.585366
  C      -7.273080     -3.208327      7.106746
  O      -7.523840     -2.276030      7.884547
  C      -6.786373     -2.951250      5.691734
  C      -6.679465     -1.500683      5.313580
  C      -7.811620     -0.761096      4.940746
  C      -7.621309      0.568014      4.566413
  N      -6.438966      1.184240      4.522223
  C      -5.332326      0.491515      4.883602
  C      -5.443267     -0.867183      5.301242
  C      -7.872052     -4.786806      8.912306
  H     -10.918889      0.377105      6.610794
  H     -10.605357     -0.500304      8.128133
  H     -11.813055      0.829790      8.076383
  H      -8.442284      0.010238      8.196763
  H      -6.243427     -0.150183      8.567584
  H      -4.051402      0.952080      9.014322
  H      -6.458326      7.029607      7.953686
  H      -7.803774      5.861053      7.960984
  H      -8.221005      4.862403      5.759599
  H      -7.283847      3.593256      3.813195
  H      -4.160191      5.729420      6.995901
  H      -8.172202      3.689077      8.522639
  H       2.172676     -2.418546      7.321568
  H       0.814199     -1.781401      8.301145
  H       0.990748     -3.538280      8.034484
  H       1.490277     -3.726864      5.406392
  H       1.904534     -3.561597      3.025578
  H       0.855651     -3.826471      0.760269
  H      -3.655991     -3.027858      0.404218
  H      -5.196899     -3.244127      1.282042
  H      -6.511439     -1.270525      1.409806
  H      -6.669947      1.165655      1.938128
  H      -2.201036     -0.905497      1.564110
  H      -2.036263     -3.123844      4.738153
  H      -9.525300     -7.726099     13.536464
  H      -8.361934     -6.371106     13.571128
  H     -10.024983     -6.088730     13.009050
  H      -8.640036     -5.184933     11.248826
  H      -7.972250     -8.182473      9.136160
  H      -7.185285     -7.921284      6.767612
  H      -7.458151     -3.479742      4.995538
  H      -5.809677     -3.445850      5.565826
  H      -8.806714     -1.210160      4.937072
  H      -8.482932      1.182575      4.279274
  H      -4.561186     -1.455120      5.544955
  H      -8.054513     -3.880072      9.493267
  N      -3.415095      4.445637      1.964138
  H      -3.109424      5.329978      2.378123
  H      -4.308805      4.620634      1.497640
  H      -2.750437      4.151464      1.243904
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.528873095560
  N      -3.212775      4.262365      4.781028
  Mo     -3.655380      2.725694      3.473238
  N      -4.131325      1.135424      4.730934
  C      -3.035025      0.437031      5.401876
  C      -1.941759      1.437664      5.665159
  N      -1.680181      2.215928      4.413584
  C      -0.989441      3.497292      4.747983
  C      -1.965472      4.417055      5.480534
  C      -0.848113      1.374286      3.495088
  C      -1.108147      1.773076      2.049172
  N      -2.522966      1.993653      1.845171
  H      -1.583775      5.454636      5.454633
  H      -2.054486      4.143995      6.549423
  H      -0.687609      3.957835      3.797516
  H      -0.084060      3.297199      5.348324
  H      -0.700769      1.000036      1.372576
  H      -0.583722      2.713129      1.809679
  H      -1.150592      0.330306      3.648197
  H       0.215933      1.460918      3.774732
  H      -3.349577      0.012378      6.369665
  H      -2.658370     -0.415183      4.805943
  H      -2.279938      2.141225      6.435423
  H      -1.016430      0.948381      6.009108
  C     -10.612511      0.097262      7.742357
  C      -9.587171      1.171148      8.050411
  O      -9.899628      2.362392      8.128896
  N      -8.312917      0.695820      8.236901
  C      -7.134614      1.418883      8.479343
  C      -5.934090      0.688704      8.547463
  C      -4.731856      1.333876      8.814544
  C      -4.726780      2.706982      9.026340
  F      -3.529611      3.315434      9.236981
  C      -5.897000      3.469943      8.944742
  C      -5.879423      4.961451      9.091786
  O      -5.216723      5.525680      9.951923
  C      -6.662203      5.758609      8.033306
  C      -6.237969      5.281933      6.665726
  C      -7.144209      4.738521      5.738374
  C      -6.651701      4.083870      4.608637
  N      -5.341593      3.982668      4.360477
  C      -4.449715      4.568338      5.226871
  C      -4.869540      5.234316      6.385325
  C      -7.101711      2.807020      8.659372
  C       0.888780     -2.488035      7.744071
  C       0.046124     -2.356394      6.489803
  O      -0.959276     -1.648115      6.432514
  N       0.502547     -3.106096      5.431353
  C      -0.052523     -3.184447      4.132218
  C       0.827710     -3.337629      3.047795
  C       0.317460     -3.466933      1.755681
  C      -1.053612     -3.420158      1.555625
  F      -1.487695     -3.580678      0.271806
  C      -1.973569     -3.263318      2.610606
  C      -3.457575     -3.245503      2.490573
  O      -4.160662     -3.538370      3.465542
  C      -4.124976     -2.737730      1.209782
  C      -4.309512     -1.243077      1.340659
  C      -5.599912     -0.673620      1.353070
  C      -5.746093      0.676879      1.626166
  N      -4.692843      1.492905      1.825650
  C      -3.420057      0.968646      1.704722
  C      -3.206768     -0.408135      1.515490
  C      -1.428119     -3.160241      3.911481
  C      -9.356850     -6.436600     13.097371
  C      -8.905246     -6.876609     11.716677
  O      -8.793700     -8.059616     11.398494
  N      -8.625872     -5.825294     10.871262
  C      -8.165664     -5.845447      9.542191
  C      -7.906257     -7.032719      8.830578
  C      -7.448388     -6.949391      7.516876
  C      -7.250847     -5.714235      6.915868
  F      -6.800874     -5.716460      5.633149
  C      -7.500175     -4.504327      7.589955
  C      -7.325104     -3.127605      7.046063
  O      -7.594314     -2.155485      7.766762
  C      -6.822206     -2.942066      5.625947
  C      -6.699471     -1.505999      5.213252
  C      -7.823487     -0.771995      4.808554
  C      -7.630227      0.559726      4.450085
  N      -6.448632      1.177331      4.437609
  C      -5.345208      0.481677      4.805446
  C      -5.460727     -0.877779      5.213119
  C      -7.961057     -4.615496      8.915770
  H     -10.775841      0.067016      6.655040
  H     -10.302154     -0.903111      8.072083
  H     -11.562180      0.369361      8.217470
  H      -8.168147     -0.304866      8.087832
  H      -5.951663     -0.389032      8.370751
  H      -3.796105      0.774562      8.846289
  H      -6.414850      6.817122      8.194854
  H      -7.746200      5.632421      8.174703
  H      -8.217100      4.758320      5.928746
  H      -7.318590      3.587510      3.904752
  H      -4.133635      5.615601      7.095091
  H      -8.030147      3.365397      8.584278
  H       1.956206     -2.325829      7.533583
  H       0.545904     -1.753892      8.479683
  H       0.780665     -3.496579      8.170557
  H       1.396530     -3.572738      5.557504
  H       1.906190     -3.358827      3.215147
  H       0.975061     -3.609994      0.897885
  H      -3.527650     -2.971642      0.321605
  H      -5.102872     -3.229565      1.122235
  H      -6.480191     -1.295810      1.192000
  H      -6.730392      1.134526      1.715507
  H      -2.193051     -0.808256      1.514845
  H      -2.121386     -3.059185      4.743068
  H      -9.699036     -7.315794     13.651911
  H      -8.520859     -5.973540     13.643366
  H     -10.170727     -5.699133     13.040521
  H      -8.766180     -4.894912     11.256688
  H      -8.064317     -7.995525      9.308385
  H      -7.238005     -7.852853      6.943567
  H      -7.490436     -3.491139      4.941990
  H      -5.846844     -3.447004      5.529252
  H      -8.816697     -1.222549      4.787827
  H      -8.488071      1.174849      4.150658
  H      -4.582102     -1.465780      5.473719
  H      -8.152703     -3.680353      9.446903
  N      -3.501118      4.521711      1.988156
  H      -3.176356      5.389419      2.421302
  H      -4.409724      4.716057      1.559872
  H      -2.862666      4.245643      1.236935
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.526855472373
  N      -3.208464      4.236889      4.846093
  Mo     -3.668641      2.747688      3.489829
  N      -4.182610      1.135081      4.700623
  C      -3.107433      0.399793      5.361435
  C      -1.995600      1.373086      5.657099
  N      -1.708369      2.177869      4.428217
  C      -0.996152      3.437271      4.797847
  C      -1.959710      4.354506      5.550978
  C      -0.885292      1.345437      3.495470
  C      -1.123133      1.788014      2.057730
  N      -2.530878      2.047565      1.847991
  H      -1.561712      5.386273      5.550000
  H      -2.055053      4.058235      6.613103
  H      -0.683889      3.916704      3.860249
  H      -0.096803      3.205700      5.395538
  H      -0.731103      1.021378      1.365248
  H      -0.573948      2.719536      1.843008
  H      -1.213688      0.306310      3.613853
  H       0.177222      1.396898      3.789019
  H      -3.439665     -0.042635      6.314555
  H      -2.750750     -0.445996      4.743335
  H      -2.329445      2.063325      6.440502
  H      -1.079750      0.863033      5.999286
  C     -10.342238     -0.160394      7.279804
  C      -9.375955      0.920979      7.720049
  O      -9.743849      2.084178      7.905768
  N      -8.083492      0.487647      7.880250
  C      -6.950069      1.234917      8.231937
  C      -5.722800      0.550301      8.279381
  C      -4.560304      1.216234      8.644079
  C      -4.619436      2.565228      8.970214
  F      -3.456107      3.201912      9.273766
  C      -5.816840      3.286452      8.914064
  C      -5.855337      4.761247      9.169974
  O      -5.223262      5.283025     10.078453
  C      -6.653211      5.604154      8.161839
  C      -6.224019      5.207086      6.772282
  C      -7.132792      4.710113      5.825525
  C      -6.647082      4.099743      4.669819
  N      -5.339592      3.995264      4.416354
  C      -4.443039      4.545487      5.299247
  C      -4.855544      5.169221      6.484705
  C      -6.983583      2.602704      8.533801
  C       0.659803     -2.518317      7.858478
  C      -0.165817     -2.365372      6.595251
  O      -1.199504     -1.698318      6.552997
  N       0.342449     -3.049360      5.514463
  C      -0.178832     -3.105486      4.200193
  C       0.732585     -3.206127      3.135549
  C       0.259651     -3.311064      1.827055
  C      -1.106640     -3.291724      1.590535
  F      -1.502001     -3.424791      0.291106
  C      -2.057023     -3.186126      2.623722
  C      -3.537609     -3.188745      2.468611
  O      -4.255926     -3.505683      3.423984
  C      -4.189852     -2.658596      1.189826
  C      -4.360392     -1.164125      1.341166
  C      -5.645089     -0.584526      1.398519
  C      -5.770356      0.761188      1.704784
  N      -4.705367      1.567161      1.874797
  C      -3.442607      1.037812      1.695853
  C      -3.246497     -0.340098      1.494488
  C      -1.548825     -3.108853      3.941327
  C      -9.206799     -6.194908     13.241895
  C      -8.794185     -6.673175     11.861852
  O      -8.684981     -7.864444     11.575518
  N      -8.545232     -5.646037     10.978120
  C      -8.121353     -5.703326      9.638022
  C      -7.872186     -6.909735      8.954093
  C      -7.451446     -6.862200      7.625987
  C      -7.280014     -5.644194      6.983287
  F      -6.867783     -5.679389      5.688128
  C      -7.519616     -4.417740      7.628459
  C      -7.367125     -3.058570      7.039277
  O      -7.620355     -2.065346      7.740639
  C      -6.890550     -2.915789      5.602215
  C      -6.763796     -1.489150      5.163176
  C      -7.883937     -0.759792      4.744078
  C      -7.686103      0.567879      4.372457
  N      -6.502457      1.183109      4.365070
  C      -5.401769      0.489403      4.747286
  C      -5.523811     -0.864787      5.161676
  C      -7.943232     -4.491719      8.969535
  H     -10.504266     -0.065895      6.195847
  H      -9.979300     -1.175051      7.488211
  H     -11.304360      0.003541      7.779180
  H      -7.888229     -0.493837      7.643332
  H      -5.688433     -0.502853      8.007552
  H      -3.603413      0.696125      8.660267
  H      -6.429483      6.656566      8.387037
  H      -7.734000      5.444704      8.292574
  H      -8.205358      4.724783      6.019656
  H      -7.317367      3.633018      3.949734
  H      -4.116445      5.515049      7.209016
  H      -7.932573      3.127918      8.467467
  H       1.724184     -2.311239      7.674928
  H       0.278584     -1.827015      8.616523
  H       0.580319     -3.546114      8.243310
  H       1.253502     -3.480762      5.643998
  H       1.806391     -3.204718      3.331088
  H       0.943223     -3.412499      0.984019
  H      -3.595550     -2.884880      0.296932
  H      -5.171673     -3.140267      1.094697
  H      -6.533923     -1.199176      1.256656
  H      -6.746705      1.226668      1.834760
  H      -2.237908     -0.752952      1.465540
  H      -2.263266     -3.051076      4.758274
  H      -9.534886     -7.058337     13.828698
  H      -8.355105     -5.720020     13.752037
  H     -10.020103     -5.456555     13.188142
  H      -8.679459     -4.705312     11.339805
  H      -8.009506     -7.859172      9.463663
  H      -7.250559     -7.780846      7.073958
  H      -7.570622     -3.478982      4.941555
  H      -5.917945     -3.425941      5.501627
  H      -8.877466     -1.209381      4.727329
  H      -8.542038      1.180961      4.061385
  H      -4.647762     -1.449015      5.442018
  H      -8.126895     -3.542208      9.477832
  N      -3.495729      4.579805      2.055538
  H      -3.158169      5.429216      2.513602
  H      -4.403033      4.797429      1.635940
  H      -2.863938      4.312270      1.295434
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.523661822037
  N      -3.168991      4.244681      4.797488
  Mo     -3.677713      2.715453      3.505348
  N      -4.224414      1.160729      4.779916
  C      -3.162047      0.425030      5.459212
  C      -2.025126      1.381597      5.712717
  N      -1.725873      2.131250      4.453900
  C      -0.978348      3.384299      4.770017
  C      -1.913026      4.356665      5.491185
  C      -0.930329      1.241462      3.550584
  C      -1.161755      1.637835      2.096829
  N      -2.562553      1.930524      1.884309
  H      -1.487674      5.376402      5.446186
  H      -2.010323      4.106514      6.564887
  H      -0.659616      3.818004      3.812690
  H      -0.082200      3.152331      5.372096
  H      -0.795379      0.836594      1.430159
  H      -0.587955      2.544998      1.845992
  H      -1.288880      0.218188      3.707333
  H       0.134226      1.271112      3.839241
  H      -3.499234      0.029591      6.430455
  H      -2.833109     -0.454648      4.872277
  H      -2.338756      2.107297      6.471628
  H      -1.118272      0.864703      6.068965
  C     -10.357061      0.368545      6.762320
  C      -9.397539      1.387259      7.342598
  O      -9.728890      2.561558      7.530128
  N      -8.148798      0.885000      7.606636
  C      -7.017647      1.563899      8.076287
  C      -5.828847      0.821416      8.195464
  C      -4.661385      1.428788      8.637393
  C      -4.676176      2.777022      8.967299
  F      -3.501566      3.361080      9.332267
  C      -5.836420      3.549757      8.854252
  C      -5.822411      5.022498      9.098130
  O      -5.200098      5.535393     10.018143
  C      -6.575439      5.860906      8.056501
  C      -6.145631      5.393971      6.689796
  C      -7.070487      4.881832      5.770474
  C      -6.609492      4.200368      4.645739
  N      -5.308764      4.045628      4.389684
  C      -4.392368      4.608689      5.242812
  C      -4.779730      5.297542      6.402131
  C      -7.009145      2.924175      8.404645
  C       0.567862     -2.533572      7.988129
  C      -0.272246     -2.402521      6.731768
  O      -1.315972     -1.752080      6.695441
  N       0.237913     -3.085868      5.650931
  C      -0.289203     -3.161695      4.340333
  C       0.617093     -3.267619      3.271810
  C       0.137487     -3.388448      1.967181
  C      -1.230252     -3.378122      1.736678
  F      -1.631513     -3.522104      0.440223
  C      -2.175169     -3.266411      2.773095
  C      -3.656351     -3.268987      2.629425
  O      -4.366107     -3.575558      3.593865
  C      -4.321849     -2.750007      1.354356
  C      -4.464374     -1.250789      1.484255
  C      -5.736341     -0.646412      1.566324
  C      -5.827583      0.707511      1.850669
  N      -4.744802      1.497305      1.971988
  C      -3.498955      0.940206      1.771899
  C      -3.333211     -0.445162      1.596367
  C      -1.660587     -3.175101      4.087090
  C      -8.765196     -6.802892     13.161702
  C      -8.437524     -7.159901     11.723544
  O      -8.339629     -8.321768     11.331892
  N      -8.247989     -6.060118     10.915718
  C      -7.908216     -6.001299      9.552005
  C      -7.697252     -7.144138      8.754163
  C      -7.361030     -6.981360      7.411154
  C      -7.235388     -5.712428      6.863487
  F      -6.905442     -5.633923      5.546679
  C      -7.439045     -4.546826      7.623169
  C      -7.330702     -3.144426      7.140840
  O      -7.544993     -2.219379      7.941713
  C      -6.937547     -2.883290      5.692546
  C      -6.827367     -1.430839      5.324655
  C      -7.957536     -0.678011      4.978571
  C      -7.756973      0.649368      4.603135
  N      -6.565269      1.248006      4.536355
  C      -5.458119      0.541907      4.874824
  C      -5.583698     -0.813689      5.288143
  C      -7.777262     -4.736811      8.977783
  H     -10.399805      0.510314      5.671394
  H     -10.059939     -0.667823      6.965019
  H     -11.358313      0.558988      7.166452
  H      -7.976903     -0.098303      7.346915
  H      -5.824167     -0.226202      7.909377
  H      -3.731833      0.866235      8.703082
  H      -6.331393      6.914311      8.254755
  H      -7.661490      5.729267      8.172486
  H      -8.141269      4.936861      5.967517
  H      -7.297183      3.720570      3.951226
  H      -4.027376      5.653396      7.107582
  H      -7.926317      3.494153      8.283045
  H       1.627374     -2.313537      7.792583
  H       0.184685     -1.841511      8.744535
  H       0.506489     -3.559046      8.382390
  H       1.155903     -3.502926      5.778722
  H       1.691804     -3.258376      3.461623
  H       0.817300     -3.494384      1.121748
  H      -3.749247     -2.998003      0.452649
  H      -5.312621     -3.217704      1.287383
  H      -6.639234     -1.247409      1.459134
  H      -6.791305      1.193634      2.000664
  H      -2.334013     -0.879118      1.548990
  H      -2.369829     -3.113292      4.908199
  H      -9.054022     -7.715230     13.692373
  H      -7.884695     -6.366129     13.656639
  H      -9.582019     -6.068822     13.220373
  H      -8.363096     -5.154158     11.362665
  H      -7.798114     -8.134357      9.188939
  H      -7.191601     -7.848706      6.772447
  H      -7.650957     -3.404005      5.032377
  H      -5.972669     -3.381957      5.503635
  H      -8.956716     -1.115442      4.994350
  H      -8.617584      1.273822      4.330046
  H      -4.703120     -1.412964      5.516441
  H      -7.933157     -3.835063      9.574661
  N      -3.476992      4.487209      2.003805
  H      -3.113820      5.344731      2.425822
  H      -4.383045      4.709952      1.584127
  H      -2.861389      4.172682      1.248766
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.522894246886
  N      -3.158506      4.238086      4.646783
  Mo     -3.647035      2.659001      3.408548
  N      -4.163016      1.127366      4.731070
  C      -3.077664      0.437573      5.432215
  C      -1.966327      1.423677      5.654641
  N      -1.685490      2.135300      4.372295
  C      -0.958480      3.410370      4.646453
  C      -1.904440      4.393159      5.334018
  C      -0.874909      1.230860      3.495438
  C      -1.110577      1.589079      2.034208
  N      -2.516750      1.846484      1.811281
  H      -1.492855      5.416169      5.252512
  H      -1.997523      4.179486      6.415867
  H      -0.646630      3.816685      3.674980
  H      -0.057590      3.212497      5.254205
  H      -0.724139      0.781576      1.385913
  H      -0.554981      2.503140      1.768395
  H      -1.214980      0.202311      3.684626
  H       0.189187      1.292075      3.781416
  H      -3.399846      0.067041      6.418449
  H      -2.718678     -0.448401      4.875362
  H      -2.289692      2.168294      6.392252
  H      -1.053485      0.930994      6.024036
  C     -10.915508      0.915093      7.874911
  C      -9.790300      1.892563      8.152693
  O      -9.976809      3.113326      8.149712
  N      -8.575255      1.296375      8.373470
  C      -7.330768      1.901673      8.587459
  C      -6.205772      1.064150      8.717429
  C      -4.943217      1.608172      8.936864
  C      -4.803584      2.986069      9.040163
  F      -3.550239      3.487793      9.200851
  C      -5.898826      3.845970      8.902290
  C      -5.769255      5.333645      8.935788
  O      -5.072324      5.923860      9.749336
  C      -6.525493      6.068786      7.818498
  C      -6.134284      5.464666      6.489490
  C      -7.065682      4.894104      5.603436
  C      -6.604330      4.154718      4.511264
  N      -5.300082      3.997108      4.252949
  C      -4.381786      4.601080      5.082953
  C      -4.773717      5.343448      6.204615
  C      -7.160124      3.284414      8.666888
  C       0.654901     -2.527282      8.018891
  C      -0.168142     -2.418436      6.749314
  O      -1.216951     -1.777970      6.684818
  N       0.354905     -3.112280      5.684352
  C      -0.168857     -3.199003      4.374998
  C       0.738780     -3.320613      3.309026
  C       0.259226     -3.461874      2.006828
  C      -1.108221     -3.459375      1.778208
  F      -1.509949     -3.627730      0.484892
  C      -2.054493     -3.332974      2.813549
  C      -3.535346     -3.354074      2.663849
  O      -4.251082     -3.643654      3.630281
  C      -4.187521     -2.877195      1.365511
  C      -4.354629     -1.376357      1.450286
  C      -5.636235     -0.786471      1.471814
  C      -5.756060      0.575038      1.703118
  N      -4.688991      1.385196      1.845509
  C      -3.431250      0.834988      1.713979
  C      -3.239544     -0.551346      1.575929
  C      -1.539308     -3.213828      4.124890
  C      -8.905560     -7.111381     12.886751
  C      -8.500960     -7.428321     11.458751
  O      -8.358604     -8.578657     11.047086
  N      -8.299310     -6.306698     10.684334
  C      -7.896186     -6.210623      9.340480
  C      -7.620915     -7.331184      8.533058
  C      -7.223949     -7.134727      7.211931
  C      -7.100887     -5.852523      6.695471
  F      -6.709468     -5.744668      5.398560
  C      -7.367732     -4.705766      7.467077
  C      -7.268912     -3.287581      7.020748
  O      -7.542490     -2.390816      7.827536
  C      -6.816640     -2.981818      5.604459
  C      -6.725236     -1.523944      5.234031
  C      -7.857063     -0.793400      4.838653
  C      -7.670262      0.540212      4.474806
  N      -6.492698      1.167340      4.448718
  C      -5.384740      0.483672      4.826490
  C      -5.495453     -0.876712      5.244564
  C      -7.766876     -4.931263      8.798637
  H     -11.080541      0.869675      6.786933
  H     -10.705896     -0.100017      8.234770
  H     -11.834205      1.294319      8.338404
  H      -8.540360      0.281909      8.278388
  H      -6.327591     -0.017575      8.620231
  H      -4.062471      0.967555      9.012425
  H      -6.237353      7.127149      7.885315
  H      -7.611277      5.997091      7.982124
  H      -8.135632      4.967778      5.795641
  H      -7.294806      3.643558      3.841306
  H      -4.018830      5.746408      6.881651
  H      -8.030048      3.922719      8.546774
  H       1.716616     -2.305700      7.835281
  H       0.258028     -1.825901      8.759239
  H       0.590625     -3.547766      8.425439
  H       1.272527     -3.527774      5.819502
  H       1.813726     -3.309842      3.498872
  H       0.938623     -3.581311      1.162414
  H      -3.585462     -3.140322      0.489002
  H      -5.169387     -3.362123      1.284985
  H      -6.529044     -1.399888      1.350862
  H      -6.731814      1.049485      1.798379
  H      -2.231700     -0.964526      1.569844
  H      -2.252223     -3.135058      4.942150
  H      -9.200290     -8.041014     13.383296
  H      -8.058545     -6.668975     13.432934
  H      -9.740021     -6.396030     12.922926
  H      -8.456968     -5.413845     11.144532
  H      -7.720426     -8.331823      8.944321
  H      -7.003909     -7.985210      6.565845
  H      -7.491035     -3.509032      4.910125
  H      -5.835069     -3.458770      5.452182
  H      -8.848258     -1.249773      4.812453
  H      -8.531607      1.145936      4.169144
  H      -4.613060     -1.457708      5.500287
  H      -7.971742     -4.046040      9.404741
  N      -3.465291      4.395093      1.856524
  H      -3.110347      5.268861      2.252052
  H      -4.373733      4.598144      1.432208
  H      -2.843995      4.064949      1.113250
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.526767717285
  N      -3.159984      4.220378      4.661788
  Mo     -3.649278      2.657692      3.401838
  N      -4.159047      1.114037      4.711429
  C      -3.076807      0.410267      5.398098
  C      -1.960482      1.393543      5.627005
  N      -1.683522      2.126041      4.352814
  C      -0.956964      3.397989      4.643296
  C      -1.903921      4.369343      5.347071
  C      -0.875627      1.236801      3.459579
  C      -1.111343      1.618405      2.004183
  N      -2.518403      1.877705      1.785539
  H      -1.495373      5.394673      5.278639
  H      -1.993174      4.140162      6.426261
  H      -0.647055      3.818588      3.677293
  H      -0.055029      3.192560      5.246966
  H      -0.724247      0.821467      1.343523
  H      -0.556342      2.536944      1.752144
  H      -1.219991      0.208798      3.628626
  H       0.188591      1.287758      3.747302
  H      -3.396383      0.025813      6.380100
  H      -2.725848     -0.471860      4.828740
  H      -2.281144      2.127843      6.375489
  H      -1.044444      0.896998      5.986385
  C     -10.755102      0.629641      7.765284
  C      -9.668320      1.646532      8.054077
  O      -9.908724      2.855984      8.100992
  N      -8.425519      1.098231      8.254086
  C      -7.208386      1.750962      8.496429
  C      -6.051504      0.956656      8.604323
  C      -4.815710      1.544189      8.854621
  C      -4.733976      2.922114      9.010377
  F      -3.504600      3.471305      9.200711
  C      -5.859670      3.743698      8.893027
  C      -5.772285      5.234785      8.969708
  O      -5.077487      5.815163      9.792663
  C      -6.529808      5.991993      7.868483
  C      -6.131945      5.414367      6.532184
  C      -7.063276      4.847420      5.646380
  C      -6.603866      4.123136      4.545193
  N      -5.301836      3.977220      4.277923
  C      -4.382722      4.577019      5.106735
  C      -4.769976      5.305074      6.240297
  C      -7.096695      3.138494      8.627624
  C       0.505449     -2.543858      8.088661
  C      -0.297665     -2.428213      6.806771
  O      -1.377516     -1.840724      6.745856
  N       0.284945     -3.051931      5.727720
  C      -0.201825     -3.118705      4.402700
  C       0.736693     -3.180138      3.358635
  C       0.296951     -3.302510      2.040226
  C      -1.063452     -3.339860      1.773442
  F      -1.422837     -3.485013      0.464862
  C      -2.040094     -3.270664      2.785797
  C      -3.516582     -3.330229      2.603748
  O      -4.241092     -3.651361      3.553386
  C      -4.163777     -2.850906      1.303067
  C      -4.342297     -1.352885      1.404562
  C      -5.628471     -0.774150      1.445184
  C      -5.755898      0.583442      1.693907
  N      -4.693137      1.399446      1.835558
  C      -3.430435      0.862455      1.686251
  C      -3.231642     -0.521009      1.529882
  C      -1.563983     -3.171359      4.113315
  C      -8.887125     -6.948238     12.970489
  C      -8.534236     -7.290275     11.534608
  O      -8.441958     -8.447932     11.129307
  N      -8.316000     -6.182146     10.745262
  C      -7.948022     -6.109859      9.389763
  C      -7.732813     -7.244593      8.583293
  C      -7.367798     -7.069960      7.250205
  C      -7.217812     -5.795444      6.720798
  F      -6.860069     -5.707886      5.412782
  C      -7.424496     -4.636489      7.490615
  C      -7.292518     -3.223201      7.030374
  O      -7.522582     -2.309254      7.832292
  C      -6.874486     -2.943040      5.598675
  C      -6.757684     -1.488146      5.242852
  C      -7.883499     -0.731308      4.886038
  C      -7.679962      0.601158      4.532351
  N      -6.489585      1.201058      4.480345
  C      -5.386327      0.489061      4.818232
  C      -5.513839     -0.870238      5.226913
  C      -7.792281     -4.839586      8.834085
  H     -10.949700      0.622472      6.682399
  H     -10.489309     -0.388699      8.076415
  H     -11.676025      0.946232      8.269213
  H      -8.347069      0.086237      8.134768
  H      -6.126190     -0.123442      8.467436
  H      -3.909641      0.940766      8.914139
  H      -6.251432      7.051319      7.961469
  H      -7.615718      5.907034      8.023113
  H      -8.132914      4.908263      5.846787
  H      -7.294284      3.612486      3.875096
  H      -4.013912      5.704297      6.918499
  H      -7.992509      3.743313      8.523735
  H       1.559207     -2.268789      7.934487
  H       0.063040     -1.887160      8.844190
  H       0.480177     -3.579562      8.459583
  H       1.218766     -3.426298      5.871766
  H       1.805317     -3.139167      3.577814
  H       1.002427     -3.375908      1.212213
  H      -3.557265     -3.101055      0.425844
  H      -5.140900     -3.343752      1.215418
  H      -6.517021     -1.393825      1.324926
  H      -6.734302      1.049435      1.804588
  H      -2.221763     -0.928945      1.506817
  H      -2.299009     -3.139224      4.913564
  H      -9.207182     -7.861783     13.480954
  H      -8.008393     -6.538333     13.491294
  H      -9.689352     -6.197818     13.022659
  H      -8.430186     -5.280831     11.201740
  H      -7.852837     -8.238708      9.004721
  H      -7.194195     -7.931438      6.604545
  H      -7.583841     -3.451081      4.924370
  H      -5.910413     -3.446036      5.417452
  H      -8.883273     -1.166880      4.882664
  H      -8.537314      1.229140      4.258585
  H      -4.636308     -1.472559      5.455671
  H      -7.951175     -3.943521      9.438412
  N      -3.497501      4.412025      1.874244
  H      -3.131326      5.279651      2.272835
  H      -4.413053      4.622888      1.469106
  H      -2.893898      4.088166      1.113388
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.489901214594
  N      -3.191104      4.201869      4.840238
  Mo     -3.687944      2.717854      3.489255
  N      -4.190286      1.118227      4.723470
  C      -3.120940      0.368438      5.365651
  C      -1.989761      1.335515      5.633593
  N      -1.715096      2.137983      4.395725
  C      -0.983428      3.388901      4.756643
  C      -1.930396      4.312531      5.525195
  C      -0.918458      1.302107      3.443834
  C      -1.160081      1.763349      2.010839
  N      -2.568370      2.040208      1.820165
  H      -1.526446      5.342227      5.519939
  H      -2.012135      4.013730      6.588247
  H      -0.676686      3.867121      3.816760
  H      -0.078978      3.147085      5.342734
  H      -0.780706      1.000951      1.306931
  H      -0.601618      2.691325      1.802847
  H      -1.269729      0.272616      3.553301
  H       0.147576      1.329124      3.728551
  H      -3.438626     -0.067875      6.326344
  H      -2.787542     -0.491788      4.751491
  H      -2.303152      2.031273      6.420073
  H      -1.069393      0.818949      5.961497
  C     -10.005334     -0.383977      6.741254
  C      -9.143111      0.728185      7.305644
  O      -9.596435      1.850927      7.529112
  N      -7.835421      0.367550      7.541994
  C      -6.769115      1.153307      8.018972
  C      -5.519364      0.521724      8.097277
  C      -4.411150      1.218583      8.551014
  C      -4.547981      2.547295      8.938388
  F      -3.432378      3.225638      9.322096
  C      -5.768513      3.225299      8.864641
  C      -5.836002      4.695301      9.182307
  O      -5.214306      5.183812     10.117421
  C      -6.611724      5.582118      8.195659
  C      -6.162854      5.196047      6.817553
  C      -7.087655      4.694571      5.893434
  C      -6.626793      4.075076      4.740206
  N      -5.329738      3.971917      4.463863
  C      -4.414156      4.521812      5.319984
  C      -4.793048      5.155795      6.514322
  C      -6.887768      2.506493      8.395172
  C       0.302555     -2.562163      8.094889
  C      -0.500221     -2.405437      6.817134
  O      -1.595799     -1.847368      6.787832
  N       0.112650     -2.961411      5.712555
  C      -0.340799     -2.992328      4.371580
  C       0.630638     -3.003810      3.356214
  C       0.238096     -3.087360      2.019241
  C      -1.111556     -3.135204      1.702272
  F      -1.421566     -3.235586      0.376573
  C      -2.121918     -3.114305      2.682078
  C      -3.594090     -3.178683      2.460802
  O      -4.331655     -3.537392      3.386692
  C      -4.237473     -2.660124      1.169298
  C      -4.414290     -1.167642      1.329823
  C      -5.701076     -0.595637      1.419120
  C      -5.824236      0.748492      1.731007
  N      -4.758595      1.558223      1.887024
  C      -3.492597      1.035190      1.691226
  C      -3.301086     -0.340290      1.470372
  C      -1.693412     -3.054659      4.029789
  C      -8.907215     -6.154919     13.329607
  C      -8.635635     -6.630208     11.914066
  O      -8.625240     -7.819452     11.600587
  N      -8.389494     -5.602307     11.029932
  C      -8.076414     -5.657783      9.659699
  C      -7.958047     -6.861302      8.936374
  C      -7.641920     -6.809108      7.580965
  C      -7.445614     -5.587560      6.948776
  F      -7.140720     -5.616450      5.625000
  C      -7.555462     -4.367420      7.633389
  C      -7.366021     -2.996177      7.059224
  O      -7.512295     -2.002042      7.786541
  C      -6.989031     -2.846546      5.597717
  C      -6.830016     -1.410995      5.244923
  C      -7.942302     -0.622953      4.930718
  C      -7.715503      0.704792      4.590923
  N      -6.508111      1.264753      4.522602
  C      -5.417300      0.513493      4.818162
  C      -5.567713     -0.840539      5.202531
  C      -7.875408     -4.445376      8.999575
  H     -10.120152     -0.228196      5.660616
  H      -9.582700     -1.384609      6.905281
  H     -11.000294     -0.319873      7.196012
  H      -7.567707     -0.587545      7.268825
  H      -5.417239     -0.512449      7.775264
  H      -3.432478      0.746970      8.588321
  H      -6.404696      6.628998      8.460961
  H      -7.694660      5.411751      8.288016
  H      -8.156847      4.705515      6.108767
  H      -7.310274      3.601122      4.038027
  H      -4.039755      5.504443      7.223158
  H      -7.857352      2.989102      8.306683
  H       1.348370     -2.250757      7.958346
  H      -0.159923     -1.956169      8.880466
  H       0.305800     -3.615081      8.414802
  H       1.054089     -3.315064      5.858688
  H       1.690897     -2.954734      3.611449
  H       0.972835     -3.120818      1.214797
  H      -3.634641     -2.880250      0.280331
  H      -5.212977     -3.152698      1.073262
  H      -6.590064     -1.212831      1.290112
  H      -6.802098      1.205833      1.884573
  H      -2.293731     -0.749435      1.408918
  H      -2.453143     -3.057954      4.805036
  H      -9.257998     -7.004143     13.923867
  H      -7.986115     -5.758559     13.783082
  H      -9.661475     -5.354739     13.347528
  H      -8.433252     -4.662557     11.415446
  H      -8.113634     -7.812077      9.438463
  H      -7.543513     -7.725155      6.997719
  H      -7.747149     -3.345644      4.969131
  H      -6.056969     -3.403647      5.398816
  H      -8.951037     -1.031347      4.952405
  H      -8.563720      1.363345      4.353519
  H      -4.698176     -1.469499      5.410498
  H      -7.959468     -3.496916      9.536169
  N      -3.575297      4.541607      2.050929
  H      -3.208723      5.390402      2.487023
  H      -4.497417      4.764986      1.667170
  H      -2.982542      4.265415      1.262005
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.528906653739
  N      -3.160696      4.204390      4.695607
  Mo     -3.654981      2.664369      3.408604
  N      -4.169751      1.102351      4.693567
  C      -3.098021      0.381438      5.371126
  C      -1.975546      1.357267      5.618859
  N      -1.691975      2.110434      4.355326
  C      -0.960139      3.374353      4.667881
  C      -1.905079      4.338192      5.385106
  C      -0.889115      1.231570      3.448438
  C      -1.116117      1.637372      1.998152
  N      -2.520367      1.912914      1.778505
  H      -1.492941      5.363247      5.334404
  H      -1.997412      4.091047      6.460249
  H      -0.645002      3.809235      3.709943
  H      -0.061192      3.154395      5.270824
  H      -0.733112      0.847219      1.327277
  H      -0.551607      2.554438      1.761964
  H      -1.245692      0.205894      3.597584
  H       0.174374      1.266152      3.741533
  H      -3.424159     -0.024682      6.341778
  H      -2.750625     -0.493982      4.788607
  H      -2.294785      2.080063      6.378758
  H      -1.059599      0.852793      5.971923
  C     -10.653350      0.521534      7.609919
  C      -9.563066      1.521618      7.941575
  O      -9.807547      2.724121      8.063978
  N      -8.310668      0.974621      8.098061
  C      -7.102408      1.631338      8.378637
  C      -5.929606      0.856637      8.445538
  C      -4.707751      1.458513      8.731498
  C      -4.658177      2.828751      8.962359
  F      -3.444033      3.400062      9.185049
  C      -5.800205      3.631219      8.883318
  C      -5.737147      5.120003      9.016680
  O      -5.041398      5.676449      9.855609
  C      -6.505343      5.916889      7.951951
  C      -6.122344      5.378142      6.595812
  C      -7.057801      4.830600      5.702269
  C      -6.603294      4.123531      4.586837
  N      -5.302380      3.975754      4.314225
  C      -4.380231      4.559705      5.149100
  C      -4.761993      5.271445      6.295006
  C      -7.022428      3.012280      8.584640
  C       0.332017     -2.533524      8.163380
  C      -0.461301     -2.415909      6.875601
  O      -1.558208     -1.861580      6.817712
  N       0.155367     -3.000243      5.791515
  C      -0.301769     -3.062655      4.455067
  C       0.663758     -3.101720      3.434661
  C       0.261042     -3.217335      2.103684
  C      -1.091047     -3.270016      1.799626
  F      -1.413710     -3.402472      0.479935
  C      -2.094618     -3.222642      2.785733
  C      -3.566192     -3.290563      2.565876
  O      -4.310408     -3.625510      3.495358
  C      -4.191806     -2.802182      1.256483
  C      -4.364554     -1.303917      1.368448
  C      -5.649147     -0.721434      1.421632
  C      -5.769863      0.633425      1.686942
  N      -4.703406      1.443672      1.831391
  C      -3.441387      0.905390      1.671600
  C      -3.250515     -0.477220      1.498451
  C      -1.655934     -3.129711      4.127194
  C      -8.850980     -6.787260     13.034119
  C      -8.499094     -7.164440     11.606812
  O      -8.403205     -8.331474     11.230475
  N      -8.285605     -6.075751     10.789585
  C      -7.920090     -6.036309      9.432073
  C      -7.701109     -7.189461      8.653029
  C      -7.339577     -7.045962      7.315494
  C      -7.196270     -5.783501      6.754926
  F      -6.842094     -5.725042      5.444480
  C      -7.406460     -4.608779      7.496882
  C      -7.281443     -3.202781      7.002437
  O      -7.517937     -2.269739      7.778805
  C      -6.861060     -2.957119      5.564866
  C      -6.751922     -1.505853      5.206565
  C      -7.880821     -0.760165      4.844050
  C      -7.689204      0.574614      4.493026
  N      -6.502721      1.183701      4.447865
  C      -5.395602      0.478452      4.788542
  C      -5.513265     -0.879504      5.196541
  C      -7.770866     -4.779685      8.844529
  H     -10.869688      0.579525      6.534279
  H     -10.382661     -0.513456      7.855710
  H     -11.564289      0.806646      8.149220
  H      -8.221670     -0.030787      7.927909
  H      -5.978918     -0.214875      8.251020
  H      -3.785642      0.877168      8.760396
  H      -6.227163      6.972778      8.078972
  H      -7.590076      5.824096      8.111136
  H      -8.126878      4.885940      5.908651
  H      -7.296810      3.624854      3.911565
  H      -4.002967      5.655837      6.978469
  H      -7.932035      3.601152      8.508474
  H       1.378727     -2.225066      8.026042
  H      -0.137175     -1.905205      8.926955
  H       0.333424     -3.576629      8.513941
  H       1.096744     -3.350271      5.946755
  H       1.725786     -3.048999      3.681758
  H       0.989311     -3.272483      1.294372
  H      -3.577209     -3.050976      0.383527
  H      -5.169443     -3.291021      1.159363
  H      -6.540154     -1.337155      1.299509
  H      -6.746125      1.101801      1.809587
  H      -2.243310     -0.889792      1.463797
  H      -2.410933     -3.111267      4.907709
  H      -9.169808     -7.688203     13.567175
  H      -7.972575     -6.363405     13.544063
  H      -9.653458     -6.036024     13.067292
  H      -8.401937     -5.163476     11.223089
  H      -7.815698     -8.173483      9.099010
  H      -7.163508     -7.922055      6.690584
  H      -7.571736     -3.477039      4.900226
  H      -5.894388     -3.459198      5.390107
  H      -8.874663     -1.206264      4.835989
  H      -8.552450      1.196110      4.218959
  H      -4.629537     -1.472533      5.433875
  H      -7.933183     -3.868983      9.426126
  N      -3.519510      4.438956      1.909077
  H      -3.153881      5.301467      2.318552
  H      -4.436952      4.652034      1.509087
  H      -2.919099      4.129148      1.139156
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.530513474989
  N      -3.155620      4.195691      4.677322
  Mo     -3.659445      2.666475      3.379077
  N      -4.163614      1.094657      4.658694
  C      -3.084955      0.374008      5.329662
  C      -1.962483      1.350255      5.569573
  N      -1.689501      2.108162      4.307535
  C      -0.954459      3.369478      4.620999
  C      -1.892708      4.327957      5.353757
  C      -0.894161      1.237388      3.388112
  C      -1.120862      1.669607      1.945060
  N      -2.525747      1.947715      1.727290
  H      -1.482438      5.353759      5.303864
  H      -1.973055      4.075316      6.428489
  H      -0.649050      3.810514      3.662781
  H      -0.049753      3.145747      5.213868
  H      -0.738111      0.890509      1.261150
  H      -0.556585      2.590255      1.723793
  H      -1.258224      0.212042      3.519930
  H       0.169797      1.259016      3.680571
  H      -3.402895     -0.032771      6.301907
  H      -2.740337     -0.502069      4.745374
  H      -2.278015      2.071231      6.332649
  H      -1.042678      0.849067      5.915516
  C     -10.570439      0.408398      7.647280
  C      -9.496667      1.429361      7.964552
  O      -9.770258      2.620956      8.128112
  N      -8.227190      0.909331      8.062013
  C      -7.023956      1.579055      8.335108
  C      -5.842255      0.816329      8.364081
  C      -4.623802      1.422160      8.653158
  C      -4.583995      2.785161      8.921801
  F      -3.371466      3.360858      9.144682
  C      -5.733999      3.579339      8.875496
  C      -5.679930      5.066195      9.030387
  O      -4.985825      5.616913      9.874705
  C      -6.469171      5.869670      7.985945
  C      -6.096625      5.350886      6.619355
  C      -7.040989      4.806813      5.734634
  C      -6.598910      4.107822      4.610300
  N      -5.302080      3.964103      4.320847
  C      -4.370873      4.547341      5.145563
  C      -4.739191      5.252133      6.300472
  C      -6.954207      2.956172      8.574525
  C       0.036354     -2.621947      8.301511
  C      -0.699742     -2.498042      6.980354
  O      -1.833992     -2.028263      6.888938
  N       0.011168     -2.976713      5.903030
  C      -0.382075     -3.003493      4.547653
  C       0.624909     -2.976253      3.567535
  C       0.278856     -3.057952      2.217926
  C      -1.058237     -3.142649      1.857884
  F      -1.325775     -3.238252      0.522742
  C      -2.100108     -3.158152      2.803991
  C      -3.558818     -3.260247      2.527989
  O      -4.329205     -3.625704      3.424096
  C      -4.145534     -2.784005      1.198010
  C      -4.336378     -1.288527      1.310675
  C      -5.627512     -0.719897      1.357691
  C      -5.763701      0.632939      1.624675
  N      -4.706578      1.454876      1.776810
  C      -3.437651      0.930399      1.623297
  C      -3.232029     -0.450227      1.448536
  C      -1.718148     -3.097466      4.162782
  C      -8.771032     -6.737703     13.073247
  C      -8.451743     -7.119843     11.639709
  O      -8.375625     -8.288138     11.262807
  N      -8.244132     -6.034419     10.816490
  C      -7.905343     -6.001304      9.452022
  C      -7.711002     -7.158365      8.671682
  C      -7.375147     -7.021717      7.326923
  C      -7.232924     -5.762049      6.759592
  F      -6.904853     -5.709727      5.442230
  C      -7.418899     -4.583978      7.502283
  C      -7.291679     -3.181163      7.000489
  O      -7.504994     -2.244976      7.779980
  C      -6.894343     -2.944368      5.553521
  C      -6.769892     -1.496031      5.183236
  C      -7.891425     -0.739477      4.818238
  C      -7.686493      0.593280      4.468819
  N      -6.494266      1.190059      4.421948
  C      -5.392271      0.473776      4.756412
  C      -5.524122     -0.884221      5.164866
  C      -7.757721     -4.747743      8.857647
  H     -10.855468      0.516046      6.591028
  H     -10.251819     -0.627446      7.820809
  H     -11.455005      0.633152      8.255199
  H      -8.123488     -0.090857      7.868450
  H      -5.882243     -0.249383      8.138590
  H      -3.695840      0.850384      8.653089
  H      -6.198692      6.925965      8.123703
  H      -7.551163      5.765196      8.156658
  H      -8.107411      4.856009      5.955561
  H      -7.299574      3.609964      3.941416
  H      -3.972731      5.635099      6.976402
  H      -7.869708      3.537513      8.522159
  H       1.065931     -2.241366      8.232322
  H      -0.510552     -2.060548      9.065495
  H       0.089286     -3.677581      8.607976
  H       0.966015     -3.271094      6.088991
  H       1.674004     -2.900133      3.859803
  H       1.039908     -3.061723      1.437325
  H      -3.501870     -3.024765      0.344098
  H      -5.114135     -3.284009      1.069911
  H      -6.510847     -1.345205      1.228929
  H      -6.745456      1.090598      1.742624
  H      -2.220555     -0.852860      1.413994
  H      -2.503356     -3.126640      4.913721
  H      -9.100405     -7.632493     13.610272
  H      -7.874269     -6.335223     13.568407
  H      -9.555562     -5.968597     13.122054
  H      -8.343283     -5.120257     11.250420
  H      -7.824470     -8.140328      9.122479
  H      -7.218669     -7.901106      6.701393
  H      -7.619996     -3.459410      4.902229
  H      -5.937564     -3.459043      5.365880
  H      -8.889959     -1.175523      4.809225
  H      -8.543470      1.223499      4.197143
  H      -4.648142     -1.487795      5.398852
  H      -7.901024     -3.834058      9.439504
  N      -3.562278      4.455246      1.898466
  H      -3.183492      5.313326      2.305458
  H      -4.488852      4.674703      1.523740
  H      -2.982223      4.145756      1.112923
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.533189929996
  N      -3.124894      4.169685      4.689843
  Mo     -3.652392      2.678355      3.354746
  N      -4.151887      1.076662      4.601543
  C      -3.064968      0.345191      5.252214
  C      -1.939020      1.310784      5.497424
  N      -1.676524      2.088831      4.251176
  C      -0.928894      3.336334      4.586233
  C      -1.852608      4.281569      5.352333
  C      -0.896942      1.235768      3.303172
  C      -1.119784      1.723680      1.876575
  N      -2.521755      2.025202      1.667613
  H      -1.438289      5.306240      5.321047
  H      -1.920598      4.004509      6.421458
  H      -0.630283      3.797536      3.635612
  H      -0.019281      3.092301      5.163494
  H      -0.745908      0.964677      1.165362
  H      -0.545325      2.644430      1.687039
  H      -1.276462      0.208617      3.404663
  H       0.168160      1.233564      3.592366
  H      -3.370323     -0.075519      6.220789
  H      -2.726413     -0.523510      4.653290
  H      -2.242968      2.020509      6.275685
  H      -1.016967      0.802975      5.824884
  C     -10.375996      0.079287      7.519280
  C      -9.369078      1.154217      7.870012
  O      -9.717054      2.322361      8.066192
  N      -8.075411      0.701810      7.945271
  C      -6.903178      1.404421      8.263981
  C      -5.711099      0.661433      8.294365
  C      -4.510861      1.272518      8.631086
  C      -4.495493      2.624622      8.945446
  F      -3.292906      3.201902      9.216781
  C      -5.655703      3.407476      8.902423
  C      -5.612553      4.891157      9.111115
  O      -4.935996      5.416061      9.985729
  C      -6.407179      5.727012      8.094113
  C      -6.031626      5.265156      6.709543
  C      -6.990848      4.750701      5.824047
  C      -6.569400      4.085970      4.676411
  N      -5.279310      3.949092      4.366538
  C      -4.331926      4.511151      5.187706
  C      -4.676926      5.184490      6.369142
  C      -6.862151      2.777950      8.549995
  C      -0.312335     -2.552523      8.408549
  C      -1.002331     -2.462696      7.060166
  O      -2.165869     -2.084619      6.928637
  N      -0.211413     -2.856547      6.004700
  C      -0.541278     -2.885709      4.633923
  C       0.510041     -2.829820      3.702103
  C       0.229317     -2.905591      2.337280
  C      -1.087007     -3.014766      1.914745
  F      -1.292679     -3.099172      0.567817
  C      -2.171207     -3.061226      2.809646
  C      -3.612011     -3.183962      2.458737
  O      -4.423318     -3.565287      3.311171
  C      -4.134626     -2.703532      1.103718
  C      -4.326868     -1.208241      1.217797
  C      -5.619648     -0.642195      1.274997
  C      -5.758438      0.706325      1.558020
  N      -4.703651      1.531751      1.717468
  C      -3.434717      1.009523      1.554562
  C      -3.226502     -0.368407      1.361091
  C      -1.855849     -3.003301      4.185379
  C      -8.738273     -6.519739     13.174777
  C      -8.427610     -6.938944     11.749833
  O      -8.349101     -8.116611     11.404057
  N      -8.230363     -5.875676     10.895421
  C      -7.901583     -5.880363      9.528446
  C      -7.705933     -7.058865      8.781255
  C      -7.381787     -6.962200      7.430206
  C      -7.251245     -5.719959      6.823241
  F      -6.936247     -5.706351      5.501998
  C      -7.437581     -4.521457      7.532719
  C      -7.319908     -3.135098      6.987279
  O      -7.540799     -2.179030      7.741271
  C      -6.925028     -2.937963      5.532501
  C      -6.784685     -1.500024      5.119447
  C      -7.893779     -0.739756      4.720340
  C      -7.671197      0.587571      4.363162
  N      -6.474295      1.175214      4.332751
  C      -5.381919      0.453026      4.688236
  C      -5.532768     -0.900904      5.109492
  C      -7.765580     -4.644291      8.895169
  H     -10.689713      0.219964      6.473193
  H      -9.987347     -0.940403      7.637217
  H     -11.261675      0.215823      8.152259
  H      -7.925118     -0.288398      7.729984
  H      -5.728655     -0.397591      8.031390
  H      -3.576875      0.710431      8.632065
  H      -6.148099      6.778815      8.275897
  H      -7.488925      5.606963      8.257975
  H      -8.053099      4.792713      6.064123
  H      -7.281267      3.607160      4.004724
  H      -3.899723      5.548344      7.043245
  H      -7.784626      3.346899      8.495792
  H       0.688554     -2.096847      8.388329
  H      -0.930053     -2.045351      9.156194
  H      -0.195669     -3.606517      8.702954
  H       0.753106     -3.086613      6.228006
  H       1.542871     -2.735341      4.043406
  H       1.025969     -2.884720      1.593146
  H      -3.453999     -2.944911      0.279645
  H      -5.098589     -3.200051      0.933368
  H      -6.502421     -1.267403      1.142097
  H      -6.741754      1.158794      1.680528
  H      -2.213674     -0.764579      1.313432
  H      -2.675686     -3.048072      4.896674
  H      -9.068337     -7.399396     13.735921
  H      -7.836307     -6.110236     13.654625
  H      -9.518937     -5.746089     13.209690
  H      -8.330723     -4.950070     11.304445
  H      -7.810548     -8.027286      9.262582
  H      -7.226037     -7.859598      6.830605
  H      -7.656236     -3.463860      4.897750
  H      -5.977036     -3.469201      5.355039
  H      -8.897104     -1.168236      4.694882
  H      -8.517354      1.221722      4.073135
  H      -4.670358     -1.507916      5.371959
  H      -7.909633     -3.714160      9.449677
  N      -3.595589      4.502129      1.915507
  H      -3.216951      5.354092      2.335462
  H      -4.529247      4.722185      1.559424
  H      -3.021304      4.211389      1.118767
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.534431177254
  N      -3.127427      4.168910      4.681625
  Mo     -3.656444      2.684638      3.338265
  N      -4.176190      1.083607      4.579179
  C      -3.102995      0.352252      5.250430
  C      -1.970283      1.309350      5.494307
  N      -1.691688      2.080603      4.246945
  C      -0.935954      3.323376      4.584227
  C      -1.855837      4.275993      5.346374
  C      -0.913949      1.223006      3.301719
  C      -1.112916      1.728393      1.876836
  N      -2.509048      2.049284      1.650480
  H      -1.435950      5.298376      5.314236
  H      -1.928031      4.001665      6.416034
  H      -0.630198      3.781916      3.634682
  H      -0.030353      3.072818      5.164929
  H      -0.738679      0.972070      1.162919
  H      -0.524716      2.643506      1.704248
  H      -1.309606      0.201774      3.391330
  H       0.147747      1.202628      3.602657
  H      -3.422273     -0.049824      6.222481
  H      -2.768972     -0.530133      4.669900
  H      -2.274009      2.026334      6.265926
  H      -1.054438      0.796714      5.833375
  C     -10.269991      0.013803      7.404406
  C      -9.279679      1.092823      7.790560
  O      -9.631426      2.265935      7.951040
  N      -7.993484      0.641523      7.926579
  C      -6.841266      1.353887      8.283110
  C      -5.646927      0.618320      8.370383
  C      -4.460184      1.244164      8.725941
  C      -4.462080      2.603172      9.006904
  F      -3.269504      3.191923      9.296437
  C      -5.627016      3.376314      8.918428
  C      -5.600831      4.861072      9.121839
  O      -4.936302      5.392427     10.000983
  C      -6.402518      5.692515      8.105287
  C      -6.028504      5.246858      6.714525
  C      -6.990907      4.740472      5.826825
  C      -6.572219      4.088309      4.670093
  N      -5.281948      3.951835      4.359803
  C      -4.333534      4.509811      5.181607
  C      -4.676087      5.176281      6.367994
  C      -6.818197      2.731913      8.542513
  C      -0.464414     -2.633613      8.469474
  C      -1.140547     -2.549238      7.113952
  O      -2.323158     -2.239534      6.975360
  N      -0.314206     -2.869503      6.060531
  C      -0.618583     -2.886304      4.684023
  C       0.450727     -2.803867      3.774932
  C       0.199376     -2.863905      2.403926
  C      -1.106313     -2.980848      1.952024
  F      -1.282226     -3.048134      0.599755
  C      -2.208809     -3.048402      2.822633
  C      -3.641427     -3.170870      2.437301
  O      -4.471417     -3.561135      3.267028
  C      -4.131103     -2.678665      1.073681
  C      -4.318478     -1.182740      1.189073
  C      -5.611893     -0.615702      1.243892
  C      -5.751574      0.732716      1.521903
  N      -4.697539      1.559459      1.685205
  C      -3.426688      1.035699      1.532178
  C      -3.218977     -0.343238      1.336779
  C      -1.922542     -3.012418      4.205557
  C      -8.605672     -6.461744     13.201086
  C      -8.326874     -6.887309     11.771627
  O      -8.253748     -8.066536     11.430082
  N      -8.150973     -5.827765     10.907723
  C      -7.852803     -5.838294      9.533931
  C      -7.669991     -7.019906      8.788089
  C      -7.377211     -6.929532      7.429425
  C      -7.264325     -5.690378      6.813140
  F      -6.981255     -5.682446      5.484742
  C      -7.437686     -4.488635      7.521180
  C      -7.335536     -3.107068      6.965561
  O      -7.540187     -2.147333      7.721421
  C      -6.965571     -2.915405      5.505105
  C      -6.820928     -1.479923      5.085175
  C      -7.926719     -0.716878      4.681667
  C      -7.696423      0.607361      4.317015
  N      -6.497297      1.190835      4.289692
  C      -5.409412      0.466787      4.656669
  C      -5.566471     -0.885150      5.080334
  C      -7.734832     -4.604997      8.891692
  H     -10.548352      0.155565      6.348701
  H      -9.881514     -1.004185      7.534039
  H     -11.178032      0.146249      8.006373
  H      -7.833101     -0.355872      7.739510
  H      -5.651344     -0.445457      8.131949
  H      -3.525015      0.686340      8.768591
  H      -6.151858      6.745475      8.293824
  H      -7.482871      5.563731      8.271033
  H      -8.052125      4.778801      6.071868
  H      -7.284724      3.613104      3.996563
  H      -3.897779      5.535248      7.043202
  H      -7.743428      3.293067      8.449950
  H       0.511990     -2.127585      8.473799
  H      -1.117290     -2.175628      9.219081
  H      -0.298776     -3.686874      8.742386
  H       0.657237     -3.055947      6.294454
  H       1.475329     -2.703720      4.138697
  H       1.011321     -2.824159      1.677347
  H      -3.432831     -2.921027      0.264987
  H      -5.094436     -3.167912      0.880408
  H      -6.494754     -1.240015      1.107385
  H      -6.735745      1.184934      1.638217
  H      -2.205782     -0.737940      1.287511
  H      -2.756430     -3.078328      4.898229
  H      -8.929670     -7.337450     13.771882
  H      -7.690625     -6.057764     13.660421
  H      -9.379993     -5.682590     13.250511
  H      -8.244625     -4.900541     11.314593
  H      -7.760798     -7.986144      9.276432
  H      -7.232997     -7.829676      6.831082
  H      -7.711816     -3.437541      4.884244
  H      -6.023645     -3.453066      5.313348
  H      -8.931995     -1.140395      4.655475
  H      -8.539189      1.243913      4.021433
  H      -4.707110     -1.494561      5.351095
  H      -7.869306     -3.672652      9.444674
  N      -3.606607      4.514210      1.906993
  H      -3.224844      5.364888      2.326469
  H      -4.541359      4.735846      1.555113
  H      -3.033850      4.219947      1.110160
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.535649458183
  N      -3.092911      4.146629      4.647970
  Mo     -3.649243      2.673035      3.303006
  N      -4.193654      1.077274      4.542215
  C      -3.140318      0.328313      5.220431
  C      -1.988861      1.267813      5.459800
  N      -1.694472      2.035350      4.209445
  C      -0.916422      3.267056      4.542533
  C      -1.816697      4.237814      5.305227
  C      -0.934473      1.166304      3.260788
  C      -1.115837      1.687507      1.839286
  N      -2.505299      2.038654      1.605640
  H      -1.381384      5.253657      5.266755
  H      -1.887808      3.969430      6.376971
  H      -0.605771      3.718774      3.591527
  H      -0.013454      3.001447      5.120574
  H      -0.752366      0.930353      1.120847
  H      -0.507172      2.591386      1.679046
  H      -1.354514      0.158489      3.341851
  H       0.125453      1.117144      3.565232
  H      -3.472966     -0.060161      6.196050
  H      -2.826500     -0.566565      4.647839
  H      -2.280868      1.991118      6.230240
  H      -1.081595      0.739067      5.802217
  C     -10.140804      0.091444      7.255919
  C      -9.125622      1.126535      7.700898
  O      -9.431969      2.313003      7.859968
  N      -7.865129      0.628502      7.884233
  C      -6.714013      1.317954      8.275091
  C      -5.522532      0.576455      8.383669
  C      -4.334761      1.202231      8.741519
  C      -4.335634      2.565240      9.006900
  F      -3.143212      3.154892      9.292876
  C      -5.500234      3.337006      8.908685
  C      -5.482320      4.817407      9.127189
  O      -4.802027      5.340640      9.998156
  C      -6.296685      5.661508      8.131275
  C      -5.956026      5.233694      6.725223
  C      -6.936619      4.745887      5.844025
  C      -6.538820      4.102322      4.671153
  N      -5.251045      3.952434      4.347311
  C      -4.289340      4.497006      5.161597
  C      -4.612471      5.159104      6.356134
  C      -6.688303      2.692865      8.529120
  C      -1.022118     -2.456460      8.675438
  C      -1.608240     -2.435597      7.276562
  O      -2.796391     -2.203393      7.052495
  N      -0.694168     -2.718106      6.286513
  C      -0.904296     -2.776658      4.895250
  C       0.221375     -2.695658      4.057554
  C       0.063359     -2.792907      2.675084
  C      -1.207320     -2.944291      2.139629
  F      -1.287350     -3.049537      0.780541
  C      -2.364379     -3.009015      2.937593
  C      -3.771298     -3.153842      2.469356
  O      -4.644259     -3.539022      3.254678
  C      -4.185491     -2.680112      1.075227
  C      -4.354556     -1.180839      1.173931
  C      -5.643310     -0.600665      1.230060
  C      -5.768830      0.750475      1.495851
  N      -4.705970      1.569847      1.648116
  C      -3.438332      1.033355      1.498369
  C      -3.246332     -0.350652      1.311210
  C      -2.170703     -2.939687      4.333852
  C      -8.295130     -6.552180     13.155287
  C      -8.073826     -6.962192     11.711402
  O      -8.011525     -8.137634     11.355041
  N      -7.934229     -5.892797     10.852889
  C      -7.692216     -5.886284      9.468121
  C      -7.537958     -7.058184      8.700657
  C      -7.302450     -6.950103      7.332070
  C      -7.217754     -5.703380      6.727248
  F      -6.992179     -5.678113      5.388260
  C      -7.362662     -4.510159      7.457118
  C      -7.285921     -3.124149      6.915165
  O      -7.461811     -2.173050      7.691398
  C      -6.971552     -2.911170      5.448796
  C      -6.836710     -1.471834      5.046431
  C      -7.946344     -0.708970      4.654967
  C      -7.716088      0.612107      4.275841
  N      -6.517261      1.195457      4.240567
  C      -5.430628      0.475051      4.617410
  C      -5.583425     -0.873753      5.043694
  C      -7.602887     -4.644812      8.837627
  H     -10.372099      0.263334      6.194831
  H      -9.791540     -0.940825      7.377535
  H     -11.066787      0.243636      7.825360
  H      -7.725681     -0.375120      7.691567
  H      -5.530316     -0.488622      8.158420
  H      -3.403367      0.640608      8.800025
  H      -6.036635      6.711559      8.327718
  H      -7.373833      5.536129      8.318270
  H      -7.993616      4.788685      6.106537
  H      -7.262783      3.637898      4.003232
  H      -3.822677      5.504018      7.025175
  H      -7.613292      3.255343      8.427453
  H      -0.076503     -1.898433      8.733107
  H      -1.747963     -2.020070      9.368947
  H      -0.820565     -3.493721      8.983369
  H       0.268284     -2.844861      6.587925
  H       1.217867     -2.569485      4.485701
  H       0.921735     -2.756733      2.003994
  H      -3.453071     -2.943249      0.304432
  H      -5.145395     -3.158492      0.842748
  H      -6.532852     -1.217507      1.102835
  H      -6.749149      1.212231      1.613045
  H      -2.237551     -0.754919      1.255176
  H      -3.047054     -3.006842      4.972164
  H      -8.603995     -7.432498     13.727411
  H      -7.359792     -6.161236     13.584037
  H      -9.060422     -5.767651     13.244048
  H      -8.013663     -4.970745     11.273964
  H      -7.606814     -8.030644      9.180052
  H      -7.182373     -7.842468      6.717023
  H      -7.743574     -3.420967      4.847568
  H      -6.035613     -3.446620      5.216821
  H      -8.951462     -1.130094      4.637032
  H      -8.560538      1.247250      3.977817
  H      -4.719972     -1.479062      5.320293
  H      -7.716397     -3.720202      9.407918
  N      -3.603212      4.503205      1.874289
  H      -3.211187      5.351593      2.288518
  H      -4.539353      4.729515      1.529593
  H      -3.038186      4.199299      1.075275
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.535951224691
  N      -3.115728      4.180002      4.651342
  Mo     -3.666284      2.693057      3.318975
  N      -4.233294      1.111477      4.565038
  C      -3.194576      0.370399      5.267192
  C      -2.039020      1.305466      5.510751
  N      -1.727051      2.052928      4.254309
  C      -0.944086      3.284686      4.576961
  C      -1.843925      4.273430      5.317171
  C      -0.966381      1.163904      3.325744
  C      -1.119044      1.674587      1.897201
  N      -2.500591      2.041233      1.640908
  H      -1.401384      5.285585      5.265311
  H      -1.924789      4.023407      6.392873
  H      -0.622631      3.720765      3.622490
  H      -0.047768      3.020578      5.165867
  H      -0.753182      0.907996      1.190132
  H      -0.496829      2.569533      1.739829
  H      -1.403220      0.161394      3.413396
  H       0.088682      1.103227      3.645166
  H      -3.546347     -0.000975      6.243645
  H      -2.882701     -0.533855      4.709731
  H      -2.334918      2.038558      6.270583
  H      -1.137635      0.775529      5.869042
  C     -10.168430      0.229758      7.187672
  C      -9.138508      1.245013      7.645655
  O      -9.429519      2.434567      7.810816
  N      -7.885849      0.727297      7.843861
  C      -6.729170      1.407039      8.240492
  C      -5.538535      0.662456      8.359652
  C      -4.351612      1.286765      8.729705
  C      -4.351722      2.651521      8.993056
  F      -3.162581      3.241714      9.290394
  C      -5.513797      3.423196      8.881297
  C      -5.504063      4.901533      9.102052
  O      -4.825865      5.427943      9.972985
  C      -6.319939      5.740452      8.105221
  C      -5.986460      5.295125      6.703014
  C      -6.964757      4.801256      5.820728
  C      -6.562189      4.144378      4.655084
  N      -5.271480      3.987238      4.339003
  C      -4.313875      4.537736      5.153822
  C      -4.643337      5.211211      6.339987
  C      -6.699271      2.781001      8.494290
  C      -0.969331     -2.602080      8.714015
  C      -1.597472     -2.562896      7.334623
  O      -2.780544     -2.277219      7.154581
  N      -0.718395     -2.880198      6.319746
  C      -0.938902     -2.940416      4.926121
  C       0.192841     -2.906300      4.093396
  C       0.040037     -2.988561      2.709500
  C      -1.231376     -3.081179      2.163477
  F      -1.303718     -3.176291      0.803046
  C      -2.395943     -3.102711      2.952032
  C      -3.806190     -3.184283      2.468978
  O      -4.695702     -3.557464      3.240991
  C      -4.196777     -2.665642      1.080659
  C      -4.360215     -1.165655      1.194159
  C      -5.648363     -0.580925      1.250122
  C      -5.770900      0.770645      1.515626
  N      -4.706733      1.587642      1.670791
  C      -3.441322      1.044495      1.530881
  C      -3.252540     -0.339567      1.341545
  C      -2.208447     -3.050656      4.352528
  C      -8.145461     -6.621119     13.122910
  C      -7.936448     -7.018050     11.673464
  O      -7.857319     -8.189922     11.308888
  N      -7.826466     -5.940987     10.820523
  C      -7.601393     -5.920987      9.432997
  C      -7.437650     -7.084835      8.656014
  C      -7.219965     -6.963281      7.285689
  C      -7.161745     -5.711022      6.689308
  F      -6.952542     -5.673244      5.348297
  C      -7.315798     -4.524910      7.429344
  C      -7.263247     -3.133573      6.897921
  O      -7.449620     -2.191125      7.682100
  C      -6.970315     -2.903478      5.432773
  C      -6.854075     -1.460336      5.043173
  C      -7.969144     -0.713904      4.639952
  C      -7.751060      0.608840      4.255662
  N      -6.559113      1.208112      4.230326
  C      -5.469100      0.504824      4.628929
  C      -5.609301     -0.844579      5.056245
  C      -7.538779     -4.673760      8.810924
  H     -10.391608      0.415115      6.128194
  H      -9.832225     -0.807808      7.299038
  H     -11.094622      0.387845      7.755058
  H      -7.757463     -0.276075      7.643788
  H      -5.547773     -0.404920      8.140917
  H      -3.422379      0.721978      8.802114
  H      -6.055497      6.791630      8.290535
  H      -7.396562      5.619001      8.298978
  H      -8.022902      4.850030      6.077437
  H      -7.283322      3.676984      3.987049
  H      -3.855810      5.560408      7.009898
  H      -7.621381      3.345524      8.386319
  H       0.002724     -2.088898      8.737455
  H      -1.651899     -2.127295      9.426197
  H      -0.807489     -3.645590      9.024081
  H       0.244311     -3.036343      6.605802
  H       1.191508     -2.823575      4.527056
  H       0.904080     -2.985788      2.044881
  H      -3.453533     -2.921479      0.317060
  H      -5.157208     -3.130310      0.825387
  H      -6.539441     -1.194075      1.115727
  H      -6.749954      1.237313      1.623926
  H      -2.244905     -0.745134      1.283341
  H      -3.088975     -3.087233      4.982882
  H      -8.437969     -7.509131     13.691779
  H      -7.209214     -6.223744     13.543666
  H      -8.917817     -5.845541     13.227487
  H      -7.917210     -5.023459     11.248955
  H      -7.485796     -8.061576      9.129315
  H      -7.093180     -7.849227      6.662829
  H      -7.744898     -3.415204      4.836156
  H      -6.029798     -3.424994      5.184932
  H      -8.968632     -1.148299      4.613562
  H      -8.600114      1.230527      3.941165
  H      -4.740714     -1.438636      5.341502
  H      -7.659277     -3.755289      9.389671
  N      -3.609366      4.508103      1.870635
  H      -3.219611      5.360504      2.277893
  H      -4.542690      4.729721      1.515794
  H      -3.036456      4.191766      1.081792
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.537341783112
  N      -3.092225      4.169069      4.621029
  Mo     -3.648686      2.681385      3.290533
  N      -4.197323      1.095173      4.541240
  C      -3.146207      0.360020      5.237186
  C      -1.994679      1.303551      5.468768
  N      -1.698780      2.050737      4.209786
  C      -0.917262      3.284392      4.524158
  C      -1.813151      4.269893      5.271986
  C      -0.943405      1.165250      3.275441
  C      -1.100023      1.686217      1.851634
  N      -2.483111      2.051551      1.597798
  H      -1.375496      5.283651      5.212151
  H      -1.880162      4.022531      6.349018
  H      -0.607181      3.720784      3.566256
  H      -0.014125      3.023592      5.104121
  H      -0.732653      0.926481      1.137945
  H      -0.480624      2.583932      1.700394
  H      -1.381589      0.163058      3.357641
  H       0.112608      1.100652      3.591291
  H      -3.487141     -0.013074      6.215206
  H      -2.832377     -0.543328      4.678022
  H      -2.287595      2.036597      6.229581
  H      -1.086161      0.781088      5.818427
  C     -10.096676      0.154421      7.269814
  C      -9.076636      1.195175      7.686067
  O      -9.395991      2.377296      7.851792
  N      -7.808360      0.701133      7.864078
  C      -6.649570      1.392179      8.244726
  C      -5.458448      0.649317      8.362995
  C      -4.272781      1.273256      8.737419
  C      -4.270612      2.637930      9.002780
  F      -3.081551      3.228074      9.303143
  C      -5.431309      3.410397      8.888042
  C      -5.425820      4.889402      9.104668
  O      -4.749418      5.423884      9.973276
  C      -6.261200      5.717403      8.115939
  C      -5.943512      5.266217      6.712283
  C      -6.928915      4.761785      5.845624
  C      -6.537978      4.104592      4.678064
  N      -5.252049      3.958138      4.340121
  C      -4.286036      4.517710      5.139927
  C      -4.603687      5.189462      6.330598
  C      -6.617300      2.768313      8.499639
  C      -1.468959     -2.573113      8.788073
  C      -1.979748     -2.564704      7.360372
  O      -3.162450     -2.369642      7.078494
  N      -1.001623     -2.804763      6.419718
  C      -1.122826     -2.862997      5.017390
  C       0.054352     -2.784688      4.253415
  C      -0.016572     -2.858831      2.861820
  C      -1.252082     -2.987282      2.243429
  F      -1.247367     -3.067434      0.880195
  C      -2.456575     -3.053505      2.965549
  C      -3.836192     -3.169474      2.412999
  O      -4.756698     -3.551752      3.143088
  C      -4.166160     -2.659966      1.008580
  C      -4.332662     -1.161577      1.132579
  C      -5.621957     -0.579510      1.185825
  C      -5.747427      0.769566      1.460594
  N      -4.685213      1.587939      1.625606
  C      -3.418164      1.048423      1.488409
  C      -3.226293     -0.335030      1.292656
  C      -2.351314     -3.007318      4.371900
  C      -8.037124     -6.633686     13.125569
  C      -7.844076     -7.027830     11.673053
  O      -7.761579     -8.198800     11.306338
  N      -7.750964     -5.949622     10.819640
  C      -7.542743     -5.928226      9.429455
  C      -7.383532     -7.091373      8.650633
  C      -7.182261     -6.968913      7.278091
  C      -7.135569     -5.716103      6.681280
  F      -6.941627     -5.677124      5.338254
  C      -7.285556     -4.531091      7.423037
  C      -7.241273     -3.138550      6.891194
  O      -7.426453     -2.198283      7.677378
  C      -6.963023     -2.907910      5.422136
  C      -6.837037     -1.464718      5.030851
  C      -7.944393     -0.710872      4.620322
  C      -7.716817      0.611044      4.240691
  N      -6.520737      1.200840      4.215514
  C      -5.435332      0.489520      4.611720
  C      -5.587849     -0.858974      5.042709
  C      -7.492295     -4.680819      8.806580
  H     -10.368227      0.336294      6.220749
  H      -9.728638     -0.874439      7.364698
  H     -11.001874      0.287289      7.876144
  H      -7.671389     -0.300991      7.672351
  H      -5.466492     -0.419655      8.145763
  H      -3.344018      0.707660      8.812215
  H      -6.000465      6.770841      8.290122
  H      -7.334257      5.590379      8.326806
  H      -7.983894      4.803324      6.115995
  H      -7.265510      3.631013      4.021259
  H      -3.809087      5.547798      6.987648
  H      -7.537721      3.332967      8.392700
  H      -0.538151     -1.997667      8.895620
  H      -2.239280     -2.149657      9.440601
  H      -1.266110     -3.606147      9.109083
  H      -0.054898     -2.899946      6.776910
  H       1.023151     -2.673752      4.744909
  H       0.883267     -2.821054      2.247548
  H      -3.391428     -2.912755      0.275583
  H      -5.113792     -3.126290      0.711539
  H      -6.510983     -1.193215      1.040946
  H      -6.727643      1.234870      1.562397
  H      -2.218156     -0.740090      1.232279
  H      -3.265471     -3.074058      4.952210
  H      -8.326786     -7.522200     13.695181
  H      -7.094985     -6.241064     13.537638
  H      -8.805309     -5.855463     13.240482
  H      -7.842223     -5.032744     11.249591
  H      -7.422217     -8.068376      9.124403
  H      -7.059128     -7.854327      6.653719
  H      -7.746923     -3.413162      4.833733
  H      -6.030830     -3.436902      5.163002
  H      -8.947057     -1.137642      4.590380
  H      -8.560265      1.237828      3.923369
  H      -4.726876     -1.460907      5.325826
  H      -7.609093     -3.762691      9.386710
  N      -3.636133      4.499435      1.848567
  H      -3.249430      5.355441      2.251107
  H      -4.576791      4.710514      1.506905
  H      -3.070783      4.187746      1.052523
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.537895067223
  N      -3.067169      4.139917      4.631840
  Mo     -3.642410      2.674787      3.282090
  N      -4.215612      1.079966      4.512055
  C      -3.172474      0.325000      5.200613
  C      -2.009506      1.249922      5.445980
  N      -1.702331      2.008995      4.199024
  C      -0.904758      3.227815      4.529264
  C      -1.787310      4.218238      5.284122
  C      -0.952984      1.130777      3.253278
  C      -1.090947      1.681914      1.839118
  N      -2.468119      2.065707      1.581352
  H      -1.335471      5.226119      5.231838
  H      -1.858246      3.963970      6.359171
  H      -0.586169      3.669970      3.576990
  H      -0.006452      2.947684      5.107745
  H      -0.725463      0.932207      1.113981
  H      -0.460707      2.575227      1.709724
  H      -1.405389      0.132308      3.313588
  H       0.099988      1.045657      3.574951
  H      -3.520496     -0.055415      6.173691
  H      -2.869711     -0.574515      4.628399
  H      -2.293395      1.975722      6.217203
  H      -1.107799      0.711866      5.788747
  C     -10.054619      0.111528      7.238896
  C      -9.032374      1.142263      7.671766
  O      -9.351761      2.319534      7.868033
  N      -7.760111      0.648134      7.814060
  C      -6.599904      1.331601      8.200635
  C      -5.406798      0.588661      8.289262
  C      -4.220508      1.204957      8.672929
  C      -4.217930      2.561701      8.974892
  F      -3.026929      3.144906      9.279761
  C      -5.379981      3.336402      8.887584
  C      -5.373855      4.811387      9.136929
  O      -4.690213      5.327999     10.011134
  C      -6.207561      5.661116      8.164530
  C      -5.897562      5.230202      6.753357
  C      -6.891430      4.746510      5.885133
  C      -6.512833      4.101616      4.708831
  N      -5.230875      3.948690      4.361434
  C      -4.254981      4.491237      5.161695
  C      -4.559826      5.148859      6.363729
  C      -6.568414      2.701335      8.492512
  C      -1.733232     -2.485818      8.851961
  C      -2.204335     -2.522375      7.411124
  O      -3.389030     -2.405002      7.098304
  N      -1.187046     -2.710528      6.500509
  C      -1.253845     -2.789775      5.095567
  C      -0.049860     -2.679267      4.378080
  C      -0.063136     -2.752643      2.984977
  C      -1.268840     -2.913040      2.317862
  F      -1.210462     -2.985282      0.955434
  C      -2.497624     -3.018223      2.990823
  C      -3.849596     -3.161184      2.378045
  O      -4.791820     -3.574010      3.061953
  C      -4.123791     -2.643738      0.964704
  C      -4.305024     -1.148852      1.097149
  C      -5.598931     -0.574748      1.148126
  C      -5.732580      0.772750      1.425109
  N      -4.675500      1.597900      1.597698
  C      -3.404791      1.064187      1.467040
  C      -3.205803     -0.317651      1.267493
  C      -2.450894     -2.972024      4.400797
  C      -7.867298     -6.575962     13.148113
  C      -7.707593     -6.978086     11.693751
  O      -7.616613     -8.150526     11.333797
  N      -7.654959     -5.905386     10.829987
  C      -7.484026     -5.891921      9.434547
  C      -7.331785     -7.058765      8.660070
  C      -7.168455     -6.944671      7.281855
  C      -7.151592     -5.695749      6.674990
  F      -6.995281     -5.664465      5.327177
  C      -7.295391     -4.507674      7.412341
  C      -7.276603     -3.117916      6.869602
  O      -7.449135     -2.175759      7.655359
  C      -7.021324     -2.894764      5.395011
  C      -6.885205     -1.454306      4.991998
  C      -7.980827     -0.695645      4.559549
  C      -7.736681      0.620815      4.170249
  N      -6.535100      1.200888      4.154022
  C      -5.460310      0.483783      4.569283
  C      -5.631401     -0.858443      5.012736
  C      -7.464348     -4.648676      8.801381
  H     -10.351766      0.332580      6.203825
  H      -9.678407     -0.917768      7.285005
  H     -10.945569      0.215073      7.871457
  H      -7.624362     -0.347447      7.590728
  H      -5.413249     -0.474239      8.042508
  H      -3.289341      0.639853      8.725596
  H      -5.939990      6.709665      8.354962
  H      -7.280708      5.538229      8.378071
  H      -7.944656      4.792773      6.161333
  H      -7.247949      3.643575      4.049266
  H      -3.758589      5.493369      7.020160
  H      -7.491066      3.266448      8.406845
  H      -0.835989     -1.862617      8.976940
  H      -2.542072     -2.093582      9.476841
  H      -1.488472     -3.503021      9.193765
  H      -0.248457     -2.746604      6.888701
  H       0.895495     -2.539919      4.906819
  H       0.859080     -2.687272      2.407218
  H      -3.313508     -2.883152      0.266546
  H      -5.052863     -3.116321      0.621858
  H      -6.483721     -1.192770      0.995980
  H      -6.715455      1.233893      1.518341
  H      -2.195220     -0.718099      1.208642
  H      -3.385192     -3.066329      4.943696
  H      -8.138190     -7.462550     13.729918
  H      -6.916717     -6.177306     13.534198
  H      -8.635798     -5.800593     13.278635
  H      -7.749401     -4.986748     11.255486
  H      -7.346693     -8.032464      9.141824
  H      -7.052190     -7.833341      6.660830
  H      -7.819688     -3.395901      4.823165
  H      -6.100910     -3.435149      5.120443
  H      -8.987298     -1.114448      4.521838
  H      -8.570551      1.250792      3.835911
  H      -4.781998     -1.462260      5.321073
  H      -7.575843     -3.727422      9.377554
  N      -3.633194      4.508547      1.860818
  H      -3.243423      5.359457      2.271096
  H      -4.574267      4.723011      1.523120
  H      -3.067605      4.200468      1.063501
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.538833861129
  N      -3.067426      4.154495      4.627658
  Mo     -3.642411      2.684343      3.280703
  N      -4.225154      1.091296      4.511515
  C      -3.184084      0.338133      5.205044
  C      -2.021807      1.262879      5.455654
  N      -1.707539      2.018072      4.208942
  C      -0.908024      3.235546      4.539094
  C      -1.790293      4.231697      5.285512
  C      -0.954066      1.137084      3.267540
  C      -1.079598      1.687075      1.851929
  N      -2.453957      2.074030      1.585288
  H      -1.334489      5.237590      5.229634
  H      -1.866339      3.983019      6.361509
  H      -0.582693      3.673499      3.587172
  H      -0.013522      2.953661      5.122424
  H      -0.708554      0.937157      1.129878
  H      -0.446719      2.579221      1.727155
  H      -1.409590      0.140781      3.325988
  H       0.096653      1.048679      3.596153
  H      -3.537357     -0.040774      6.177957
  H      -2.876961     -0.560569      4.633826
  H      -2.308177      1.989704      6.225180
  H      -1.122924      0.723372      5.802127
  C     -10.053965      0.161051      7.198658
  C      -9.024553      1.183350      7.633896
  O      -9.327149      2.370053      7.795050
  N      -7.764027      0.673309      7.814474
  C      -6.606243      1.349263      8.216291
  C      -5.422570      0.597539      8.343085
  C      -4.240296      1.210856      8.743690
  C      -4.232614      2.571481      9.026049
  F      -3.043882      3.148329      9.348805
  C      -5.386237      3.354514      8.904124
  C      -5.375867      4.832786      9.139716
  O      -4.705875      5.352920     10.022717
  C      -6.205554      5.680122      8.160413
  C      -5.896517      5.245955      6.749883
  C      -6.891095      4.757899      5.884522
  C      -6.513591      4.109376      4.711171
  N      -5.232250      3.957088      4.361860
  C      -4.255128      4.505445      5.157560
  C      -4.559156      5.167379      6.357760
  C      -6.570573      2.722516      8.491562
  C      -1.835294     -2.541282      8.869193
  C      -2.292923     -2.597909      7.424497
  O      -3.475733     -2.500375      7.101358
  N      -1.265997     -2.782065      6.525285
  C      -1.314152     -2.873181      5.120425
  C      -0.098132     -2.774710      4.421447
  C      -0.090968     -2.837147      3.028411
  C      -1.288556     -2.971073      2.341942
  F      -1.211373     -3.030686      0.979968
  C      -2.528647     -3.065749      2.994746
  C      -3.872285     -3.180526      2.355330
  O      -4.830693     -3.597646      3.013532
  C      -4.109167     -2.635686      0.944493
  C      -4.288184     -1.141865      1.089747
  C      -5.583477     -0.569837      1.141472
  C      -5.719213      0.777219      1.416310
  N      -4.663955      1.604468      1.591486
  C      -3.391659      1.072611      1.467762
  C      -3.190487     -0.309647      1.265115
  C      -2.503276     -3.037528      4.406234
  C      -7.732680     -6.574321     13.139470
  C      -7.587094     -6.974263     11.683036
  O      -7.479537     -8.145094     11.322407
  N      -7.567027     -5.901343     10.818077
  C      -7.416984     -5.885663      9.420204
  C      -7.262107     -7.050310      8.643256
  C      -7.120943     -6.934338      7.262835
  C      -7.128000     -5.685000      6.656281
  F      -6.993680     -5.651451      5.306397
  C      -7.275250     -4.499393      7.396285
  C      -7.278169     -3.108372      6.853706
  O      -7.459301     -2.170293      7.640361
  C      -7.037579     -2.880746      5.377840
  C      -6.901476     -1.438870      4.976274
  C      -7.993080     -0.679911      4.533352
  C      -7.743164      0.634268      4.139661
  N      -6.540077      1.212420      4.129461
  C      -5.470201      0.496222      4.559785
  C      -5.647766     -0.843526      5.008100
  C      -7.421968     -4.642124      8.787102
  H     -10.331184      0.370080      6.155207
  H      -9.693242     -0.872531      7.265930
  H     -10.952802      0.286700      7.815716
  H      -7.638425     -0.327239      7.610546
  H      -5.430682     -0.468933      8.110624
  H      -3.314146      0.640482      8.825219
  H      -5.936465      6.728742      8.346867
  H      -7.279197      5.561557      8.374572
  H      -7.943936      4.801441      6.162713
  H      -7.249152      3.647497      4.054565
  H      -3.757441      5.517509      7.010544
  H      -7.487366      3.293528      8.378913
  H      -0.941074     -1.913849      8.994884
  H      -2.651319     -2.143286      9.480973
  H      -1.591449     -3.553287      9.226768
  H      -0.331324     -2.807246      6.923713
  H       0.841305     -2.650402      4.964509
  H       0.840981     -2.780593      2.465416
  H      -3.279635     -2.869370      0.267975
  H      -5.030603     -3.099338      0.569692
  H      -6.467272     -1.188169      0.984841
  H      -6.702563      1.238468      1.501867
  H      -2.179377     -0.709412      1.206069
  H      -3.447985     -3.125548      4.933209
  H      -7.987888     -7.463677     13.724192
  H      -6.780844     -6.167362     13.513655
  H      -8.506420     -5.806098     13.280490
  H      -7.671861     -4.984337     11.244622
  H      -7.257850     -8.024024      9.125142
  H      -7.003679     -7.821411      6.639727
  H      -7.844780     -3.377996      4.814805
  H      -6.123496     -3.424812      5.090410
  H      -9.000497     -1.097172      4.490392
  H      -8.572936      1.263775      3.794993
  H      -4.803723     -1.446436      5.330228
  H      -7.535797     -3.722277      9.365067
  N      -3.650295      4.509669      1.851914
  H      -3.267340      5.366407      2.256669
  H      -4.592727      4.712594      1.511259
  H      -3.080346      4.200198      1.058245
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.539590320290
  N      -3.054628      4.166269      4.630657
  Mo     -3.632870      2.688731      3.288668
  N      -4.233822      1.098665      4.522229
  C      -3.199779      0.344175      5.222546
  C      -2.038442      1.267863      5.484094
  N      -1.708340      2.015250      4.236551
  C      -0.902823      3.228827      4.567273
  C      -1.783308      4.235839      5.300702
  C      -0.951488      1.123595      3.306330
  C      -1.057475      1.668225      1.887347
  N      -2.426299      2.064268      1.604926
  H      -1.318077      5.237381      5.242996
  H      -1.870943      3.993450      6.377417
  H      -0.564454      3.659342      3.616292
  H      -0.016184      2.941675      5.159485
  H      -0.681106      0.914797      1.171819
  H      -0.417457      2.556181      1.767728
  H      -1.415554      0.132035      3.364405
  H       0.094882      1.028166      3.646763
  H      -3.562335     -0.035232      6.192521
  H      -2.885317     -0.552005      4.652195
  H      -2.329669      1.998565      6.248336
  H      -1.145716      0.724603      5.840491
  C     -10.068151      0.219887      7.202399
  C      -9.024049      1.235113      7.620025
  O      -9.313761      2.425457      7.777351
  N      -7.768185      0.713626      7.801482
  C      -6.605823      1.379860      8.203998
  C      -5.426307      0.621609      8.328649
  C      -4.240752      1.229630      8.728862
  C      -4.226338      2.589328      9.014744
  F      -3.035695      3.158937      9.342379
  C      -5.376633      3.378023      8.895512
  C      -5.362381      4.855343      9.137173
  O      -4.686166      5.369583     10.018599
  C      -6.184130      5.710785      8.157702
  C      -5.880857      5.276198      6.745744
  C      -6.877848      4.785871      5.883162
  C      -6.502550      4.129782      4.713264
  N      -5.221305      3.969492      4.365516
  C      -4.242155      4.523133      5.156202
  C      -4.544815      5.195210      6.351557
  C      -6.563351      2.751987      8.481980
  C      -2.097435     -2.608432      8.904898
  C      -2.504398     -2.678046      7.445304
  O      -3.677569     -2.606033      7.081696
  N      -1.445168     -2.838695      6.581067
  C      -1.446565     -2.923807      5.175489
  C      -0.207249     -2.829978      4.517811
  C      -0.154250     -2.883327      3.125872
  C      -1.329710     -3.001612      2.399163
  F      -1.205893     -3.056037      1.040440
  C      -2.591917     -3.089684      3.010615
  C      -3.916916     -3.195189      2.329290
  O      -4.896257     -3.609279      2.957644
  C      -4.107104     -2.634399      0.917385
  C      -4.275443     -1.140378      1.069211
  C      -5.568158     -0.562904      1.115517
  C      -5.698193      0.783961      1.391895
  N      -4.640744      1.605401      1.579434
  C      -3.369850      1.069069      1.468684
  C      -3.174007     -0.313749      1.256167
  C      -2.612557     -3.072980      4.421708
  C      -7.508011     -6.569445     13.117675
  C      -7.389269     -6.969812     11.659002
  O      -7.260085     -8.138541     11.298676
  N      -7.416730     -5.899194     10.791327
  C      -7.299987     -5.883813      9.390346
  C      -7.144438     -7.047104      8.611709
  C      -7.038803     -6.931917      7.228215
  C      -7.080749     -5.683799      6.620139
  F      -6.982596     -5.650745      5.267361
  C      -7.229198     -4.499902      7.361995
  C      -7.263749     -3.108378      6.817720
  O      -7.458138     -2.173573      7.602701
  C      -7.041000     -2.877168      5.340592
  C      -6.907585     -1.433591      4.944326
  C      -7.995082     -0.676958      4.485853
  C      -7.741610      0.636989      4.093959
  N      -6.539640      1.218042      4.101533
  C      -5.475746      0.504906      4.553086
  C      -5.657161     -0.834193      4.999628
  C      -7.340695     -4.641694      8.755583
  H     -10.359660      0.427180      6.162974
  H      -9.715428     -0.816511      7.267443
  H     -10.955964      0.354800      7.833495
  H      -7.653423     -0.289090      7.601245
  H      -5.438289     -0.444041      8.093702
  H      -3.316109      0.656669      8.809609
  H      -5.905819      6.757076      8.344539
  H      -7.258363      5.602198      8.374220
  H      -7.930103      4.828630      6.163735
  H      -7.239328      3.663613      4.060907
  H      -3.742202      5.549116      7.001011
  H      -7.477977      3.327259      8.372747
  H      -1.214076     -1.971843      9.058524
  H      -2.938221     -2.214780      9.485325
  H      -1.857389     -3.616052      9.277041
  H      -0.523763     -2.852153      7.009951
  H       0.715311     -2.719951      5.092051
  H       0.796642     -2.833799      2.594783
  H      -3.257550     -2.870261      0.268221
  H      -5.020005     -3.086727      0.509243
  H      -6.454093     -1.175995      0.950589
  H      -6.679601      1.250655      1.470218
  H      -2.165200     -0.720093      1.203683
  H      -3.575363     -3.158164      4.915205
  H      -7.736157     -7.461466     13.709509
  H      -6.553953     -6.147682     13.469140
  H      -8.289600     -5.812573     13.275386
  H      -7.533241     -4.983771     11.218102
  H      -7.112025     -8.019531      9.095173
  H      -6.922933     -7.818153      6.603684
  H      -7.858273     -3.370938      4.788143
  H      -6.132585     -3.423721      5.038925
  H      -9.000367     -1.096653      4.427272
  H      -8.567174      1.264208      3.734743
  H      -4.817244     -1.434276      5.339525
  H      -7.455476     -3.722646      9.334674
  N      -3.654613      4.494222      1.842717
  H      -3.282741      5.359684      2.239020
  H      -4.596976      4.681149      1.492984
  H      -3.075811      4.181224      1.056708
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.540121012856
  N      -3.038465      4.156315      4.631396
  Mo     -3.630769      2.683984      3.284688
  N      -4.259980      1.094049      4.513509
  C      -3.233594      0.326546      5.209662
  C      -2.065705      1.236612      5.484139
  N      -1.718117      1.984767      4.243231
  C      -0.900096      3.187338      4.584218
  C      -1.771887      4.204875      5.312872
  C      -0.960161      1.090380      3.315906
  C      -1.047619      1.644285      1.899593
  N      -2.410885      2.050306      1.608258
  H      -1.291051      5.199315      5.260858
  H      -1.871891      3.961383      6.388207
  H      -0.547377      3.615596      3.637286
  H      -0.022291      2.885561      5.181936
  H      -0.669007      0.892647      1.183568
  H      -0.400566      2.528533      1.790959
  H      -1.433874      0.100757      3.364152
  H       0.081727      0.984675      3.666525
  H      -3.602261     -0.054831      6.176561
  H      -2.922691     -0.565230      4.631454
  H      -2.353993      1.966910      6.249711
  H      -1.181796      0.681380      5.844096
  C     -10.104529      0.284071      7.187941
  C      -9.047516      1.286536      7.603675
  O      -9.322795      2.481310      7.754932
  N      -7.800008      0.747587      7.795165
  C      -6.629890      1.393642      8.209682
  C      -5.465454      0.614149      8.345241
  C      -4.272243      1.201937      8.754194
  C      -4.234974      2.561420      9.037359
  F      -3.036235      3.108824      9.373483
  C      -5.370377      3.370382      8.908495
  C      -5.332230      4.847666      9.146239
  O      -4.658424      5.352225     10.034449
  C      -6.147318      5.712488      8.169513
  C      -5.851506      5.280176      6.755326
  C      -6.855200      4.796256      5.896081
  C      -6.488091      4.139824      4.723874
  N      -5.208933      3.970030      4.372417
  C      -4.223224      4.520081      5.158373
  C      -4.518145      5.193841      6.355320
  C      -6.564709      2.765220      8.487023
  C      -2.263870     -2.634462      8.949804
  C      -2.640682     -2.717769      7.482631
  O      -3.809891     -2.680893      7.099773
  N      -1.559546     -2.843817      6.639019
  C      -1.521225     -2.926424      5.232514
  C      -0.263445     -2.813396      4.613053
  C      -0.167241     -2.858581      3.223291
  C      -1.317999     -2.988454      2.459664
  F      -1.149771     -3.035485      1.105144
  C      -2.597376     -3.096837      3.031610
  C      -3.900656     -3.220351      2.310377
  O      -4.889852     -3.656902      2.907411
  C      -4.057748     -2.649323      0.897945
  C      -4.240590     -1.157791      1.049291
  C      -5.537132     -0.589656      1.089814
  C      -5.676091      0.756473      1.368122
  N      -4.625687      1.584611      1.563649
  C      -3.352959      1.057292      1.456321
  C      -3.146639     -0.322946      1.240115
  C      -2.660367     -3.088784      4.441793
  C      -7.263391     -6.546163     13.091381
  C      -7.195441     -6.945914     11.629420
  O      -7.058573     -8.112499     11.265016
  N      -7.277756     -5.877304     10.762798
  C      -7.214213     -5.861552      9.358500
  C      -7.076430     -7.023431      8.574573
  C      -7.025893     -6.908703      7.188079
  C      -7.103983     -5.661352      6.581581
  F      -7.062812     -5.628342      5.226068
  C      -7.234633     -4.479262      7.328911
  C      -7.297897     -3.086761      6.786295
  O      -7.492905     -2.156376      7.574610
  C      -7.107327     -2.852524      5.304913
  C      -6.962201     -1.409026      4.910394
  C      -8.038590     -0.641190      4.443402
  C      -7.767873      0.671050      4.056645
  N      -6.560052      1.240968      4.074407
  C      -5.506271      0.514958      4.532763
  C      -5.706782     -0.822113      4.976842
  C      -7.291803     -4.620211      8.725301
  H     -10.400764      0.498251      6.151480
  H      -9.764619     -0.756898      7.247885
  H     -10.986639      0.427309      7.825631
  H      -7.700760     -0.257102      7.598433
  H      -5.493802     -0.451458      8.110523
  H      -3.356982      0.614702      8.843765
  H      -5.858869      6.755649      8.359171
  H      -7.222005      5.613726      8.389073
  H      -7.905875      4.842429      6.181600
  H      -7.229660      3.676290      4.074747
  H      -3.711299      5.543980      7.001464
  H      -7.466873      3.357075      8.368694
  H      -1.394493     -1.982939      9.119452
  H      -3.123015     -2.252778      9.511190
  H      -2.015761     -3.636702      9.331081
  H      -0.648157     -2.831879      7.089042
  H       0.640029     -2.696083      5.215464
  H       0.798974     -2.795003      2.722253
  H      -3.185448     -2.873585      0.275423
  H      -4.953686     -3.107185      0.459722
  H      -6.418558     -1.208384      0.922110
  H      -6.660234      1.217730      1.442315
  H      -2.135205     -0.723384      1.193713
  H      -3.635729     -3.193512      4.902478
  H      -7.461836     -7.439822     13.691428
  H      -6.299660     -6.117575     13.406303
  H      -8.043992     -5.795247     13.279193
  H      -7.394069     -4.963579     11.193122
  H      -7.014853     -7.995034      9.056947
  H      -6.926421     -7.794249      6.559789
  H      -7.946269     -3.332830      4.773024
  H      -6.216616     -3.412368      4.977210
  H      -9.047043     -1.051741      4.374998
  H      -8.583975      1.306882      3.691178
  H      -4.877406     -1.430698      5.326379
  H      -7.392969     -3.701800      9.307930
  N      -3.665289      4.482177      1.838878
  H      -3.297882      5.350335      2.233152
  H      -4.608879      4.661498      1.488818
  H      -3.082925      4.169573      1.055093
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.540428953371
  N      -3.023894      4.168529      4.645459
  Mo     -3.614680      2.696951      3.293890
  N      -4.262555      1.103541      4.516007
  C      -3.243753      0.332456      5.218922
  C      -2.077516      1.240661      5.507086
  N      -1.712808      1.987081      4.269520
  C      -0.890993      3.184869      4.619163
  C      -1.763499      4.207293      5.339809
  C      -0.949091      1.090455      3.349250
  C      -1.018249      1.648520      1.933470
  N      -2.376416      2.062034      1.629563
  H      -1.275453      5.198487      5.294603
  H      -1.876429      3.962522      6.413462
  H      -0.525378      3.610908      3.676210
  H      -0.021212      2.876613      5.225286
  H      -0.635117      0.897042      1.219952
  H      -0.365909      2.529931      1.834214
  H      -1.427682      0.103951      3.389869
  H       0.087908      0.979543      3.711988
  H      -3.620998     -0.050528      6.181957
  H      -2.926661     -0.557168      4.641466
  H      -2.372404      1.973040      6.267928
  H      -1.200016      0.682151      5.878597
  C     -10.072507      0.260598      7.122045
  C      -9.026643      1.266095      7.559047
  O      -9.313189      2.456029      7.728263
  N      -7.775459      0.735583      7.747319
  C      -6.612685      1.384031      8.179150
  C      -5.443612      0.610243      8.308655
  C      -4.255637      1.200263      8.729530
  C      -4.228043      2.556555      9.029294
  F      -3.033016      3.106880      9.374338
  C      -5.368371      3.359947      8.906717
  C      -5.335868      4.835272      9.158451
  O      -4.662189      5.333701     10.049555
  C      -6.144330      5.706602      8.182367
  C      -5.841410      5.282185      6.767840
  C      -6.844061      4.799785      5.906283
  C      -6.474599      4.146875      4.732797
  N      -5.194515      3.978181      4.384891
  C      -4.210714      4.529044      5.171376
  C      -4.507488      5.200298      6.369811
  C      -6.557758      2.752346      8.474798
  C      -2.584808     -2.706303      8.969905
  C      -2.897552     -2.781068      7.487432
  O      -4.049011     -2.731529      7.054171
  N      -1.783323     -2.918169      6.690294
  C      -1.689953     -2.999705      5.286609
  C      -0.406101     -2.915399      4.717596
  C      -0.258076     -2.952937      3.331910
  C      -1.381680     -3.046688      2.523294
  F      -1.161803     -3.087691      1.175533
  C      -2.684626     -3.125436      3.045117
  C      -3.963667     -3.209891      2.277811
  O      -4.980846     -3.641155      2.830672
  C      -4.058677     -2.622399      0.866344
  C      -4.224242     -1.129591      1.026760
  C      -5.515593     -0.550293      1.061379
  C      -5.645013      0.793609      1.354041
  N      -4.589682      1.610174      1.566035
  C      -3.321788      1.075316      1.459100
  C      -3.123953     -0.304761      1.231312
  C      -2.800534     -3.128994      4.451645
  C      -6.993400     -6.473347     13.085484
  C      -6.967012     -6.883754     11.625211
  O      -6.820114     -8.050563     11.265419
  N      -7.099803     -5.824256     10.753746
  C      -7.083077     -5.818527      9.348049
  C      -6.957433     -6.984445      8.568122
  C      -6.956360     -6.880179      7.179885
  C      -7.071006     -5.638625      6.567271
  F      -7.080758     -5.615553      5.210976
  C      -7.189593     -4.452821      7.310475
  C      -7.285405     -3.065123      6.760286
  O      -7.486889     -2.133052      7.545578
  C      -7.116520     -2.837781      5.274786
  C      -6.969897     -1.396427      4.874833
  C      -8.038474     -0.630655      4.387165
  C      -7.761301      0.680694      4.001947
  N      -6.554569      1.252211      4.038369
  C      -5.507703      0.525944      4.514549
  C      -5.715943     -0.809240      4.959372
  C      -7.197432     -4.582946      8.708895
  H     -10.374627      0.494134      6.091628
  H      -9.721738     -0.777890      7.159230
  H     -10.954874      0.380059      7.764548
  H      -7.666522     -0.265119      7.535171
  H      -5.464729     -0.452790      8.061006
  H      -3.336703      0.618302      8.815237
  H      -5.856793      6.748398      8.381794
  H      -7.220297      5.606608      8.394990
  H      -7.894952      4.843036      6.191313
  H      -7.213975      3.681833      4.082340
  H      -3.702077      5.550250      7.017921
  H      -7.463077      3.339909      8.360529
  H      -1.709797     -2.074739      9.180239
  H      -3.459977     -2.306215      9.492479
  H      -2.377318     -3.714449      9.359954
  H      -0.891135     -2.919792      7.177496
  H       0.476013     -2.825940      5.355350
  H       0.727940     -2.910564      2.868722
  H      -3.167340     -2.855397      0.273623
  H      -4.945363     -3.061232      0.391778
  H      -6.401560     -1.159523      0.883481
  H      -6.626115      1.261491      1.428848
  H      -2.115547     -0.711972      1.186044
  H      -3.795921     -3.213585      4.872580
  H      -7.162955     -7.364214     13.698430
  H      -6.024326     -6.032946     13.365913
  H      -7.775257     -5.728949     13.292818
  H      -7.218474     -4.909308     11.180708
  H      -6.866795     -7.951403      9.055291
  H      -6.868613     -7.769407      6.555066
  H      -7.968439     -3.314400      4.759916
  H      -6.235941     -3.404743      4.933324
  H      -9.044682     -1.042278      4.301081
  H      -8.571584      1.315226      3.621323
  H      -4.893215     -1.415953      5.327942
  H      -7.289690     -3.661299      9.287803
  N      -3.663747      4.486308      1.845595
  H      -3.308919      5.360034      2.239153
  H      -4.607635      4.652234      1.489942
  H      -3.071989      4.178589      1.066776
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.540687892480
  N      -3.014434      4.169868      4.659909
  Mo     -3.612339      2.697316      3.308776
  N      -4.281147      1.105016      4.527127
  C      -3.269476      0.322593      5.227715
  C      -2.101042      1.224153      5.529875
  N      -1.720375      1.971037      4.296678
  C      -0.891513      3.161822      4.654388
  C      -1.760112      4.192477      5.366865
  C      -0.952580      1.073388      3.381133
  C      -1.013903      1.632171      1.964871
  N      -2.370892      2.044109      1.656809
  H      -1.260420      5.178109      5.329339
  H      -1.887316      3.946519      6.438447
  H      -0.512629      3.583665      3.714907
  H      -0.030328      2.845183      5.268626
  H      -0.628679      0.879698      1.253763
  H      -0.360754      2.513256      1.867841
  H      -1.431562      0.087720      3.417079
  H       0.081523      0.962027      3.751222
  H      -3.651178     -0.066901      6.186225
  H      -2.950528     -0.562179      4.644251
  H      -2.398580      1.957523      6.288589
  H      -1.231127      0.658835      5.909562
  C     -10.120158      0.295537      7.073120
  C      -9.073031      1.293857      7.523867
  O      -9.357522      2.481536      7.711309
  N      -7.821607      0.760550      7.700325
  C      -6.656985      1.400371      8.141417
  C      -5.490520      0.620956      8.257300
  C      -4.300692      1.200160      8.687076
  C      -4.269098      2.551999      9.007841
  F      -3.072295      3.092825      9.362484
  C      -5.406624      3.361338      8.897595
  C      -5.363127      4.834097      9.166864
  O      -4.676209      5.317627     10.055574
  C      -6.145870      5.722844      8.185784
  C      -5.833329      5.297505      6.774135
  C      -6.835728      4.823735      5.908152
  C      -6.465344      4.166753      4.737247
  N      -5.184848      3.988527      4.396881
  C      -4.201836      4.533399      5.184742
  C      -4.497816      5.206199      6.382875
  C      -6.598546      2.764115      8.457666
  C      -2.546688     -2.854452      9.007671
  C      -2.863420     -2.896712      7.525026
  O      -4.017924     -2.865216      7.098126
  N      -1.751346     -2.993248      6.719555
  C      -1.668158     -3.043633      5.313395
  C      -0.390247     -2.925056      4.736026
  C      -0.254523     -2.930982      3.348385
  C      -1.383527     -3.027626      2.547690
  F      -1.175305     -3.031746      1.197087
  C      -2.680679     -3.139405      3.077909
  C      -3.961585     -3.229638      2.316917
  O      -4.975973     -3.668722      2.870260
  C      -4.063749     -2.640701      0.906029
  C      -4.225029     -1.145866      1.057210
  C      -5.513890     -0.562497      1.089822
  C      -5.638650      0.783990      1.375852
  N      -4.580681      1.595684      1.586965
  C      -3.315609      1.058941      1.477990
  C      -3.120856     -0.321728      1.251196
  C      -2.783633     -3.174412      4.486035
  C      -6.813175     -6.406934     13.055370
  C      -6.829926     -6.824835     11.597071
  O      -6.676462     -7.991186     11.238365
  N      -7.008996     -5.772562     10.725343
  C      -7.038826     -5.774203      9.319747
  C      -6.931975     -6.943406      8.541985
  C      -6.979240     -6.846803      7.153947
  C      -7.123018     -5.609342      6.539236
  F      -7.182355     -5.593553      5.183878
  C      -7.223361     -4.420589      7.280048
  C      -7.343209     -3.036243      6.726477
  O      -7.555934     -2.103613      7.508908
  C      -7.181192     -2.812233      5.238602
  C      -7.015022     -1.372569      4.842527
  C      -8.068440     -0.596957      4.338681
  C      -7.774456      0.713588      3.964302
  N      -6.564479      1.275914      4.022608
  C      -5.530046      0.537793      4.509670
  C      -5.757246     -0.795943      4.948259
  C      -7.182867     -4.542635      8.678537
  H     -10.432814      0.550082      6.050848
  H      -9.769253     -0.743591      7.087185
  H     -10.997490      0.400659      7.725103
  H      -7.712916     -0.236994      7.474764
  H      -5.516749     -0.438379      7.993712
  H      -3.383397      0.614602      8.763848
  H      -5.844799      6.759146      8.394289
  H      -7.225621      5.637952      8.384555
  H      -7.887669      4.876150      6.187699
  H      -7.204280      3.705590      4.083878
  H      -3.692745      5.551348      7.034067
  H      -7.502659      3.355660      8.354466
  H      -1.677040     -2.220516      9.231932
  H      -3.424349     -2.475686      9.541852
  H      -2.329563     -3.870359      9.371683
  H      -0.856081     -2.989637      7.201063
  H       0.495448     -2.834204      5.368508
  H       0.726109     -2.860303      2.877323
  H      -3.174306     -2.876261      0.310052
  H      -4.952749     -3.079609      0.436154
  H      -6.402475     -1.169599      0.918220
  H      -6.618187      1.254780      1.452246
  H      -2.113532     -0.731536      1.206483
  H      -3.774517     -3.285843      4.913203
  H      -6.957838     -7.295463     13.678047
  H      -5.838076     -5.959943     13.302807
  H      -7.592408     -5.665894     13.283476
  H      -7.126192     -4.856861     11.151051
  H      -6.817856     -7.907076      9.030878
  H      -6.907893     -7.738928      6.531134
  H      -8.047998     -3.272190      4.733180
  H      -6.315348     -3.394719      4.887013
  H      -9.075865     -1.001008      4.233974
  H      -8.573782      1.356607      3.574645
  H      -4.945894     -1.409062      5.331188
  H      -7.260411     -3.618270      9.255198
  N      -3.663810      4.471802      1.851224
  H      -3.319349      5.350649      2.242934
  H      -4.606794      4.627750      1.488699
  H      -3.063838      4.167500      1.077416
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.541145461428
  N      -2.986246      4.158131      4.641562
  Mo     -3.593317      2.677900      3.300671
  N      -4.282697      1.095624      4.522589
  C      -3.281414      0.304517      5.226878
  C      -2.107044      1.197912      5.535130
  N      -1.712225      1.938309      4.302710
  C      -0.874783      3.123729      4.659047
  C      -1.735971      4.169679      5.356940
  C      -0.943418      1.033487      3.395297
  C      -0.993534      1.589395      1.976937
  N      -2.348381      2.001750      1.662530
  H      -1.223769      5.148725      5.316571
  H      -1.874116      3.932870      6.429205
  H      -0.484892      3.534420      3.719254
  H      -0.021293      2.802543      5.281668
  H      -0.607463      0.833401      1.270012
  H      -0.337363      2.468313      1.880580
  H      -1.427274      0.050100      3.428691
  H       0.087449      0.917760      3.773051
  H      -3.670312     -0.080754      6.184320
  H      -2.968151     -0.583140      4.644674
  H      -2.404385      1.936192      6.289263
  H      -1.245042      0.626778      5.923675
  C     -10.180217      0.407474      7.038514
  C      -9.109346      1.379151      7.490634
  O      -9.355051      2.580306      7.643660
  N      -7.880463      0.808751      7.704601
  C      -6.706835      1.423316      8.156619
  C      -5.565400      0.614857      8.315748
  C      -4.369286      1.170528      8.759851
  C      -4.307058      2.528115      9.051780
  F      -3.104062      3.043491      9.422640
  C      -5.419758      3.364620      8.901041
  C      -5.345015      4.839560      9.151467
  O      -4.669295      5.317507     10.051923
  C      -6.112725      5.735227      8.164050
  C      -5.801628      5.304799      6.753138
  C      -6.805530      4.838609      5.885372
  C      -6.437212      4.174987      4.717001
  N      -5.156827      3.985124      4.380918
  C      -4.172926      4.526663      5.166715
  C      -4.466401      5.203732      6.363056
  C      -6.617512      2.790496      8.447211
  C      -2.759380     -2.865134      9.086939
  C      -3.036708     -2.903730      7.596577
  O      -4.180175     -2.876082      7.140947
  N      -1.903624     -2.983222      6.819322
  C      -1.782546     -3.025353      5.415024
  C      -0.490777     -2.882963      4.874289
  C      -0.316230     -2.881349      3.491146
  C      -1.419528     -2.998549      2.658560
  F      -1.172147     -2.996047      1.314483
  C      -2.728853     -3.139427      3.150112
  C      -3.981410     -3.256920      2.348101
  O      -5.012124     -3.694824      2.872377
  C      -4.041234     -2.682484      0.928683
  C      -4.202231     -1.186385      1.059688
  C      -5.490216     -0.600608      1.074220
  C      -5.615532      0.748173      1.351094
  N      -4.557675      1.556820      1.571252
  C      -3.292661      1.018302      1.475593
  C      -3.098001     -0.363234      1.256762
  C      -2.871868     -3.174605      4.556059
  C      -6.449020     -6.441511     12.952721
  C      -6.550382     -6.845735     11.493910
  O      -6.403346     -8.006424     11.114510
  N      -6.796613     -5.788123     10.645550
  C      -6.913435     -5.777462      9.244332
  C      -6.850832     -6.939496      8.451112
  C      -6.984465     -6.830805      7.069546
  C      -7.169418     -5.588492      6.476263
  F      -7.314820     -5.560257      5.127476
  C      -7.228007     -4.406766      7.232292
  C      -7.381049     -3.019376      6.698572
  O      -7.578788     -2.096989      7.497359
  C      -7.257754     -2.776296      5.209698
  C      -7.062885     -1.335369      4.830208
  C      -8.101466     -0.537237      4.331890
  C      -7.783792      0.770125      3.966336
  N      -6.563735      1.309314      4.025804
  C      -5.542097      0.549632      4.506525
  C      -5.794108     -0.781275      4.940600
  C      -7.101554     -4.540933      8.624611
  H     -10.466378      0.653118      6.006421
  H      -9.863350     -0.641657      7.078090
  H     -11.065135      0.552651      7.672371
  H      -7.799337     -0.197944      7.505604
  H      -5.616911     -0.448778      8.075500
  H      -3.470891      0.562024      8.871298
  H      -5.798648      6.767780      8.371218
  H      -7.194081      5.664740      8.359722
  H      -7.857756      4.901866      6.161574
  H      -7.177551      3.717516      4.063051
  H      -3.660065      5.545356      7.014475
  H      -7.504104      3.403270      8.315877
  H      -1.891781     -2.237783      9.336085
  H      -3.648699     -2.481206      9.597765
  H      -2.559796     -3.883418      9.454392
  H      -1.021416     -2.969771      7.324058
  H       0.374821     -2.778551      5.531981
  H       0.675749     -2.790401      3.048003
  H      -3.135427     -2.925800      0.361490
  H      -4.916904     -3.124468      0.436860
  H      -6.378366     -1.207224      0.898653
  H      -6.594723      1.221203      1.414947
  H      -2.090855     -0.775666      1.224283
  H      -3.872049     -3.307906      4.955223
  H      -6.556123     -7.336094     13.574390
  H      -5.461251     -5.996006     13.147190
  H      -7.214173     -5.703701     13.232905
  H      -6.898023     -4.877685     11.086401
  H      -6.702849     -7.906928      8.923255
  H      -6.949558     -7.717217      6.435540
  H      -8.154652     -3.202037      4.727180
  H      -6.420944     -3.376722      4.820697
  H      -9.116159     -0.922390      4.223993
  H      -8.571565      1.430440      3.581830
  H      -4.993708     -1.409881      5.321698
  H      -7.144782     -3.621798      9.213059
  N      -3.645384      4.431055      1.823291
  H      -3.315747      5.318395      2.209149
  H      -4.586168      4.571106      1.448814
  H      -3.033844      4.127004      1.058883
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.541453800385
  N      -2.973388      4.170693      4.630882
  Mo     -3.593514      2.688602      3.294376
  N      -4.290619      1.110572      4.519398
  C      -3.290909      0.309398      5.212216
  C      -2.115132      1.195144      5.528331
  N      -1.715332      1.935886      4.299103
  C      -0.871098      3.115228      4.658919
  C      -1.725949      4.167680      5.352332
  C      -0.948385      1.029488      3.392627
  C      -0.997005      1.586611      1.975169
  N      -2.352513      1.995610      1.663590
  H      -1.203816      5.141610      5.316909
  H      -1.872423      3.930060      6.423361
  H      -0.473134      3.521862      3.720619
  H      -0.023182      2.787558      5.285616
  H      -0.611335      0.830461      1.267996
  H      -0.341705      2.466012      1.878876
  H      -1.435627      0.045758      3.424992
  H       0.081771      0.911662      3.771694
  H      -3.677353     -0.087042      6.166130
  H      -2.978724     -0.569809      4.617760
  H      -2.411351      1.932634      6.283957
  H      -1.257400      0.618479      5.917218
  C     -10.190068      0.424913      6.993216
  C      -9.115797      1.392468      7.445602
  O      -9.358366      2.593779      7.602831
  N      -7.892600      0.814386      7.670369
  C      -6.717902      1.418565      8.134205
  C      -5.585877      0.598048      8.298056
  C      -4.386643      1.139409      8.749899
  C      -4.312528      2.495420      9.047244
  F      -3.106061      2.996389      9.425454
  C      -5.416101      3.343982      8.894903
  C      -5.324403      4.817527      9.152553
  O      -4.650546      5.281835     10.061493
  C      -6.085483      5.730019      8.174458
  C      -5.777737      5.312633      6.759133
  C      -6.786585      4.857434      5.890497
  C      -6.424909      4.197155      4.718658
  N      -5.145626      4.000989      4.381710
  C      -4.157616      4.536938      5.164635
  C      -4.443829      5.209016      6.365441
  C      -6.617215      2.783958      8.431252
  C      -2.916822     -2.850801      9.177497
  C      -3.167300     -2.875944      7.682088
  O      -4.300889     -2.799282      7.207055
  N      -2.023112     -3.004604      6.926547
  C      -1.872483     -3.056210      5.524447
  C      -0.563834     -2.958150      5.014543
  C      -0.355696     -2.977415      3.636132
  C      -1.440803     -3.069143      2.777244
  F      -1.155382     -3.104738      1.440963
  C      -2.767178     -3.160124      3.236618
  C      -4.004022     -3.256742      2.408479
  O      -5.052383     -3.677370      2.913256
  C      -4.029866     -2.699311      0.979634
  C      -4.193814     -1.201752      1.084294
  C      -5.483474     -0.620514      1.087688
  C      -5.615044      0.730621      1.351084
  N      -4.560363      1.544142      1.567043
  C      -3.293402      1.009647      1.477545
  C      -3.092905     -0.372282      1.272037
  C      -2.943961     -3.178355      4.639900
  C      -6.171009     -6.427793     12.853773
  C      -6.336775     -6.828062     11.399649
  O      -6.189133     -7.984909     11.008744
  N      -6.640897     -5.771941     10.568615
  C      -6.825100     -5.758770      9.174321
  C      -6.793374     -6.918466      8.376107
  C      -6.993121     -6.807420      7.002611
  C      -7.210687     -5.564462      6.422197
  F      -7.423222     -5.532780      5.082278
  C      -7.238979     -4.385294      7.183181
  C      -7.415542     -2.997906      6.659458
  O      -7.636027     -2.084952      7.462897
  C      -7.302749     -2.743198      5.171488
  C      -7.091368     -1.301125      4.805020
  C      -8.118453     -0.493649      4.297912
  C      -7.788977      0.813629      3.943639
  N      -6.565960      1.343287      4.016648
  C      -5.553538      0.573302      4.500835
  C      -5.819218     -0.756332      4.931179
  C      -7.049565     -4.521920      8.567709
  H     -10.482427      0.678078      5.964766
  H      -9.874535     -0.624999      7.024834
  H     -11.071612      0.566584      7.632883
  H      -7.816921     -0.193525      7.475970
  H      -5.648518     -0.464328      8.054284
  H      -3.495488      0.520658      8.863959
  H      -5.763450      6.757417      8.393899
  H      -7.167620      5.665235      8.368041
  H      -7.837682      4.924299      6.169901
  H      -7.168510      3.744812      4.064978
  H      -3.634540      5.542454      7.017255
  H      -7.497224      3.405607      8.298499
  H      -2.015586     -2.280687      9.444047
  H      -3.789676     -2.409205      9.669897
  H      -2.791522     -3.879422      9.549092
  H      -1.151600     -3.025420      7.449204
  H       0.288319     -2.876761      5.692703
  H       0.649506     -2.926171      3.216898
  H      -3.115035     -2.953312      0.433590
  H      -4.896710     -3.146310      0.476573
  H      -6.369280     -1.232296      0.918031
  H      -6.596675      1.199181      1.409437
  H      -2.084189     -0.780448      1.245305
  H      -3.956307     -3.274903      5.014602
  H      -6.250797     -7.324182     13.477040
  H      -5.174908     -5.984276     13.005672
  H      -6.922185     -5.690294     13.170193
  H      -6.734872     -4.864371     11.017153
  H      -6.617291     -7.885994      8.838307
  H      -6.984878     -7.692242      6.365521
  H      -8.215234     -3.146703      4.698821
  H      -6.482566     -3.353600      4.763342
  H      -9.133972     -0.871941      4.175554
  H      -8.568841      1.481874      3.556632
  H      -5.025378     -1.392232      5.315532
  H      -7.067336     -3.604076      9.159278
  N      -3.662845      4.431756      1.810669
  H      -3.343549      5.324294      2.193538
  H      -4.605923      4.559589      1.437433
  H      -3.048957      4.134272      1.045594
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.541779775854
  N      -2.965099      4.174406      4.659834
  Mo     -3.582947      2.700123      3.311408
  N      -4.285168      1.116603      4.523662
  C      -3.290826      0.300980      5.205201
  C      -2.117066      1.181254      5.541715
  N      -1.709085      1.935706      4.322923
  C      -0.866290      3.110025      4.700411
  C      -1.724805      4.157504      5.394159
  C      -0.934981      1.039481      3.412435
  C      -0.980437      1.607269      1.999849
  N      -2.337492      2.010252      1.688874
  H      -1.198408      5.129576      5.375164
  H      -1.884187      3.909106      6.461050
  H      -0.458612      3.523274      3.769035
  H      -0.025262      2.776095      5.332819
  H      -0.589207      0.858602      1.287492
  H      -0.330279      2.491163      1.912686
  H      -1.419044      0.055007      3.432399
  H       0.093750      0.920925      3.795368
  H      -3.681512     -0.118348      6.147874
  H      -2.976681     -0.564791      4.592184
  H      -2.419943      1.909976      6.303599
  H      -1.261978      0.600606      5.929738
  C     -10.231925      0.461011      6.902267
  C      -9.152646      1.409589      7.381609
  O      -9.382082      2.612368      7.546817
  N      -7.940259      0.813535      7.618145
  C      -6.764691      1.400699      8.100809
  C      -5.640622      0.568480      8.265049
  C      -4.441133      1.093478      8.734522
  C      -4.358807      2.445353      9.049794
  F      -3.152317      2.932494      9.445121
  C      -5.454009      3.304442      8.898340
  C      -5.353037      4.773057      9.175189
  O      -4.680283      5.221272     10.093307
  C      -6.098039      5.703481      8.201886
  C      -5.780823      5.297755      6.784984
  C      -6.784589      4.859544      5.901485
  C      -6.417489      4.209296      4.725956
  N      -5.135872      4.009247      4.398574
  C      -4.151998      4.532746      5.194211
  C      -4.444186      5.189181      6.402055
  C      -6.655324      2.760914      8.416344
  C      -3.041631     -3.025698      9.145784
  C      -3.255986     -2.974869      7.645282
  O      -4.370576     -2.814471      7.148359
  N      -2.103265     -3.133433      6.909948
  C      -1.928112     -3.145528      5.510352
  C      -0.609947     -3.039621      5.027233
  C      -0.377147     -3.023143      3.652890
  C      -1.446628     -3.088599      2.772821
  F      -1.135228     -3.092174      1.441845
  C      -2.782342     -3.186796      3.205015
  C      -4.002536     -3.260367      2.353711
  O      -5.064245     -3.675303      2.836458
  C      -4.007149     -2.679683      0.933389
  C      -4.170067     -1.183984      1.062635
  C      -5.459920     -0.603780      1.066553
  C      -5.595328      0.742964      1.350139
  N      -4.542319      1.554544      1.579290
  C      -3.273702      1.022765      1.488449
  C      -3.070524     -0.357028      1.271106
  C      -2.984736     -3.240348      4.604860
  C      -5.954829     -6.279213     12.868065
  C      -6.161753     -6.703971     11.425993
  O      -5.995397     -7.861877     11.045735
  N      -6.523879     -5.668820     10.592121
  C      -6.756634     -5.681242      9.204463
  C      -6.729888     -6.852464      8.423080
  C      -6.973554     -6.765475      7.054642
  C      -7.225740     -5.534577      6.463139
  F      -7.478463     -5.523814      5.129561
  C      -7.250914     -4.345112      7.207130
  C      -7.453715     -2.970047      6.666575
  O      -7.706801     -2.053860      7.456593
  C      -7.317834     -2.726136      5.178330
  C      -7.093552     -1.287483      4.804392
  C      -8.113366     -0.482114      4.279688
  C      -7.779832      0.822892      3.920871
  N      -6.556845      1.350196      4.003458
  C      -5.550088      0.581571      4.499296
  C      -5.820492     -0.744706      4.936021
  C      -7.022255     -4.458198      8.587564
  H     -10.514009      0.738854      5.877417
  H      -9.924794     -0.591671      6.914316
  H     -11.117690      0.596280      7.537680
  H      -7.872234     -0.193193      7.413673
  H      -5.710824     -0.489898      8.006719
  H      -3.557133      0.464365      8.848250
  H      -5.768529      6.725095      8.436118
  H      -7.182526      5.644999      8.383757
  H      -7.837810      4.932562      6.171274
  H      -7.158065      3.770524      4.060062
  H      -3.639079      5.509327      7.065379
  H      -7.528825      3.391468      8.282376
  H      -2.103819     -2.543257      9.455646
  H      -3.887800     -2.532345      9.635820
  H      -3.010991     -4.074793      9.478061
  H      -1.244245     -3.207266      7.448056
  H       0.229552     -2.977103      5.722956
  H       0.635442     -2.963817      3.252888
  H      -3.089516     -2.928011      0.390650
  H      -4.870415     -3.115520      0.414199
  H      -6.343725     -1.213973      0.880923
  H      -6.578525      1.208711      1.408147
  H      -2.061245     -0.764380      1.245021
  H      -4.004507     -3.338985      4.961237
  H      -6.006315     -7.166794     13.506851
  H      -4.958385     -5.825420     12.982203
  H      -6.702284     -5.543660     13.197424
  H      -6.627086     -4.757420     11.031008
  H      -6.522209     -7.809590      8.893606
  H      -6.970712     -7.659665      6.430794
  H      -8.230604     -3.122133      4.699825
  H      -6.498121     -3.344649      4.780356
  H      -9.128862     -0.858710      4.152719
  H      -8.555913      1.490909      3.525637
  H      -5.028208     -1.378478      5.328302
  H      -7.034253     -3.531575      9.165148
  N      -3.655559      4.451294      1.838118
  H      -3.341568      5.342987      2.227500
  H      -4.600007      4.577563      1.467358
  H      -3.042943      4.163973      1.068303
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.542173934976
  N      -2.953373      4.174547      4.666738
  Mo     -3.567306      2.692402      3.323776
  N      -4.286937      1.118651      4.534051
  C      -3.303653      0.297069      5.224207
  C      -2.130631      1.172660      5.575803
  N      -1.706189      1.921703      4.359786
  C      -0.862255      3.092868      4.743347
  C      -1.724488      4.147246      5.421265
  C      -0.926429      1.018486      3.460562
  C      -0.962059      1.577916      2.044131
  N      -2.316150      1.983330      1.723390
  H      -1.190547      5.115279      5.410709
  H      -1.903512      3.900738      6.485451
  H      -0.439195      3.499832      3.815820
  H      -0.032165      2.757618      5.389183
  H      -0.569210      0.824709      1.337462
  H      -0.309874      2.460236      1.956453
  H      -1.412707      0.035248      3.481201
  H       0.099047      0.899552      3.851785
  H      -3.705301     -0.127971      6.159479
  H      -2.985588     -0.566265      4.609156
  H      -2.441274      1.904100      6.332005
  H      -1.282141      0.590519      5.975454
  C     -10.252335      0.455844      6.889070
  C      -9.180005      1.414242      7.363791
  O      -9.414101      2.618860      7.507777
  N      -7.966176      0.824996      7.610353
  C      -6.790562      1.419874      8.084203
  C      -5.663493      0.591087      8.245910
  C      -4.463593      1.119290      8.709012
  C      -4.383616      2.471512      9.022442
  F      -3.177238      2.961659      9.413621
  C      -5.481324      3.328077      8.873293
  C      -5.383064      4.796051      9.152747
  O      -4.701198      5.244284     10.064341
  C      -6.115374      5.728476      8.171900
  C      -5.787417      5.314005      6.760095
  C      -6.783576      4.880980      5.865640
  C      -6.407419      4.225485      4.696377
  N      -5.123167      4.017475      4.384462
  C      -4.145332      4.537193      5.189301
  C      -4.447175      5.194108      6.393904
  C      -6.683123      2.781707      8.395113
  C      -3.091972     -3.135009      9.208475
  C      -3.296667     -2.997941      7.711884
  O      -4.391718     -2.721663      7.224696
  N      -2.160837     -3.222190      6.968382
  C      -1.987534     -3.204840      5.567655
  C      -0.667292     -3.100468      5.089554
  C      -0.431245     -3.058344      3.716351
  C      -1.498710     -3.103406      2.833303
  F      -1.186120     -3.073668      1.502756
  C      -2.836122     -3.205379      3.258919
  C      -4.046783     -3.261016      2.396566
  O      -5.119300     -3.668526      2.864646
  C      -4.027868     -2.691156      0.971563
  C      -4.173355     -1.193072      1.086600
  C      -5.455547     -0.597489      1.075700
  C      -5.578142      0.751721      1.355568
  N      -4.518422      1.550850      1.592554
  C      -3.256129      1.003765      1.512386
  C      -3.065980     -0.378544      1.302837
  C      -3.043872     -3.276381      4.658840
  C      -5.702151     -6.223838     12.767021
  C      -5.963284     -6.653740     11.335227
  O      -5.775847     -7.805250     10.945330
  N      -6.397511     -5.630946     10.520984
  C      -6.690694     -5.650331      9.144279
  C      -6.671692     -6.821273      8.362058
  C      -6.970420     -6.739615      7.003877
  C      -7.264981     -5.513154      6.423189
  F      -7.565950     -5.502706      5.099283
  C      -7.284251     -4.324992      7.168166
  C      -7.516625     -2.954874      6.631515
  O      -7.789858     -2.045624      7.422792
  C      -7.368768     -2.701719      5.145535
  C      -7.120206     -1.263083      4.784645
  C      -8.129654     -0.443086      4.262217
  C      -7.783084      0.861867      3.916095
  N      -6.554290      1.374471      4.006813
  C      -5.557203      0.592078      4.499912
  C      -5.841751     -0.735229      4.925707
  C      -7.006051     -4.433469      8.539444
  H     -10.534104      0.725813      5.861807
  H      -9.937610     -0.594651      6.908727
  H     -11.140623      0.588531      7.521464
  H      -7.894382     -0.183541      7.418556
  H      -5.731591     -0.467827      7.989059
  H      -3.579156      0.490319      8.819461
  H      -5.779604      6.748251      8.404828
  H      -7.201705      5.678314      8.344119
  H      -7.839338      4.962907      6.122757
  H      -7.143477      3.790164      4.023087
  H      -3.648184      5.508342      7.067373
  H      -7.558092      3.410039      8.262411
  H      -2.105261     -2.779031      9.536613
  H      -3.876325     -2.567939      9.721443
  H      -3.184842     -4.194051      9.494613
  H      -1.307511     -3.367788      7.500660
  H       0.170253     -3.052160      5.788672
  H       0.582129     -2.993273      3.319230
  H      -3.108785     -2.955800      0.437913
  H      -4.892621     -3.119823      0.448753
  H      -6.344697     -1.197920      0.883832
  H      -6.556595      1.228020      1.403089
  H      -2.061079     -0.798121      1.293292
  H      -4.065892     -3.370177      5.011626
  H      -5.712955     -7.111442     13.407892
  H      -4.708057     -5.756512     12.838052
  H      -6.445070     -5.498892     13.128334
  H      -6.510478     -4.723410     10.965474
  H      -6.425815     -7.773745      8.823379
  H      -6.975598     -7.633912      6.380237
  H      -8.290850     -3.071898      4.664011
  H      -6.560846     -3.330423      4.740031
  H      -9.149014     -0.808374      4.129999
  H      -8.551289      1.541504      3.525448
  H      -5.056250     -1.379326      5.314109
  H      -7.012048     -3.506887      9.116979
  N      -3.623485      4.431671      1.834498
  H      -3.321960      5.328481      2.221930
  H      -4.564352      4.549495      1.451500
  H      -3.000990      4.147000      1.071801
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.542551568062
  N      -2.929789      4.158101      4.690794
  Mo     -3.544854      2.672595      3.349647
  N      -4.304037      1.113127      4.549808
  C      -3.343795      0.280622      5.262271
  C      -2.165761      1.143912      5.633666
  N      -1.709771      1.881420      4.421786
  C      -0.856798      3.043390      4.813278
  C      -1.716808      4.112594      5.471097
  C      -0.927102      0.963479      3.539372
  C      -0.937524      1.515419      2.118811
  N      -2.282792      1.934932      1.777537
  H      -1.168149      5.072447      5.469089
  H      -1.921232      3.871763      6.531831
  H      -0.411860      3.439865      3.891236
  H      -0.043040      2.700714      5.475638
  H      -0.544099      0.755392      1.420298
  H      -0.275062      2.390879      2.035873
  H      -1.425103     -0.013331      3.557425
  H       0.090756      0.833884      3.946106
  H      -3.768784     -0.140207      6.188636
  H      -3.023852     -0.587595      4.653106
  H      -2.482704      1.882623      6.379803
  H      -1.330797      0.555198      6.052257
  C     -10.313035      0.524228      6.849852
  C      -9.233106      1.473475      7.325735
  O      -9.452213      2.682535      7.453760
  N      -8.028907      0.870684      7.587739
  C      -6.847805      1.454042      8.062626
  C      -5.729480      0.614042      8.227126
  C      -4.526620      1.129809      8.695850
  C      -4.433714      2.480351      9.010720
  F      -3.224414      2.957888      9.408299
  C      -5.521219      3.348806      8.855662
  C      -5.410763      4.814781      9.136839
  O      -4.725543      5.255937     10.049556
  C      -6.120674      5.756134      8.148131
  C      -5.782185      5.334857      6.740636
  C      -6.769813      4.915332      5.831440
  C      -6.384992      4.252484      4.669385
  N      -5.099429      4.025530      4.376383
  C      -4.126442      4.536037      5.193794
  C      -4.438513      5.196276      6.393696
  C      -6.726945      2.815031      8.372885
  C      -3.322215     -3.314863      9.261404
  C      -3.457814     -3.069455      7.770548
  O      -4.512189     -2.688351      7.264670
  N      -2.320172     -3.342224      7.048499
  C      -2.114248     -3.279623      5.653295
  C      -0.783519     -3.170385      5.206489
  C      -0.518868     -3.097679      3.839496
  C      -1.568363     -3.122418      2.933994
  F      -1.231100     -3.057150      1.610633
  C      -2.914533     -3.232141      3.328812
  C      -4.102629     -3.277053      2.438023
  O      -5.191737     -3.674933      2.878241
  C      -4.041103     -2.718475      1.010800
  C      -4.170146     -1.219052      1.116790
  C      -5.443943     -0.607452      1.089358
  C      -5.551694      0.743817      1.367407
  N      -4.485296      1.529122      1.616332
  C      -3.229718      0.966844      1.549181
  C      -3.054346     -0.417731      1.343771
  C      -3.151760     -3.325110      4.722504
  C      -5.240556     -6.090419     12.592403
  C      -5.585495     -6.538548     11.184282
  O      -5.366940     -7.680238     10.781792
  N      -6.130752     -5.543010     10.404040
  C      -6.517114     -5.581391      9.050497
  C      -6.506152     -6.754238      8.270565
  C      -6.893273     -6.688869      6.933632
  C      -7.263909     -5.474799      6.370660
  F      -7.643917     -5.473697      5.067001
  C      -7.279080     -4.286320      7.113905
  C      -7.569660     -2.925653      6.582878
  O      -7.852211     -2.023389      7.378437
  C      -7.446137     -2.667949      5.095149
  C      -7.171343     -1.232013      4.741339
  C      -8.166308     -0.391767      4.222575
  C      -7.797079      0.909411      3.885220
  N      -6.559972      1.401019      3.988710
  C      -5.579938      0.601151      4.487350
  C      -5.886278     -0.727069      4.893452
  C      -6.916406     -4.379563      8.465949
  H     -10.589222      0.796769      5.821699
  H     -10.006905     -0.528879      6.870799
  H     -11.201718      0.664388      7.479927
  H      -7.969222     -0.139759      7.403295
  H      -5.803876     -0.442983      7.965790
  H      -3.649850      0.490978      8.808029
  H      -5.771490      6.771256      8.381945
  H      -7.209099      5.722780      8.309359
  H      -7.828227      5.011508      6.072807
  H      -7.117443      3.824975      3.986938
  H      -3.646024      5.500024      7.079704
  H      -7.594078      3.452819      8.234179
  H      -2.315065     -3.093802      9.641234
  H      -4.057163     -2.694142      9.785908
  H      -3.544129     -4.371743      9.476318
  H      -1.491036     -3.562179      7.593237
  H       0.038564     -3.138815      5.924472
  H       0.502293     -3.024480      3.464394
  H      -3.112842     -2.997051      0.498712
  H      -4.899162     -3.139890      0.471443
  H      -6.338204     -1.197768      0.890550
  H      -6.524494      1.231945      1.407892
  H      -2.055609     -0.852412      1.352481
  H      -4.181673     -3.419684      5.052195
  H      -5.177679     -6.973659     13.236458
  H      -4.258762     -5.592738     12.590708
  H      -5.978225     -5.386500     13.002419
  H      -6.257599     -4.640761     10.855068
  H      -6.195952     -7.695319      8.716112
  H      -6.907053     -7.585513      6.313493
  H      -8.386072     -3.012453      4.628629
  H      -6.658684     -3.308075      4.669332
  H      -9.191206     -0.739864      4.085025
  H      -8.551502      1.603519      3.493456
  H      -5.114873     -1.384147      5.285829
  H      -6.917898     -3.451487      9.041046
  N      -3.567750      4.397301      1.842687
  H      -3.270002      5.296793      2.226774
  H      -4.503599      4.513996      1.446964
  H      -2.938039      4.107582      1.088085
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.542926001688
  N      -2.935473      4.165772      4.681382
  Mo     -3.547959      2.674662      3.344873
  N      -4.292512      1.116190      4.548696
  C      -3.324815      0.284124      5.256539
  C      -2.148890      1.152510      5.622577
  N      -1.702390      1.895020      4.409053
  C      -0.856053      3.063098      4.797726
  C      -1.722002      4.124954      5.461141
  C      -0.919002      0.982508      3.520807
  C      -0.945618      1.531098      2.099281
  N      -2.297046      1.939311      1.767705
  H      -1.179808      5.088516      5.461718
  H      -1.923877      3.879110      6.520913
  H      -0.418034      3.464684      3.874554
  H      -0.037024      2.726076      5.456593
  H      -0.551421      0.774431      1.398079
  H      -0.291847      2.412978      2.010335
  H      -1.409235      0.001967      3.544833
  H       0.103026      0.861444      3.919057
  H      -3.744071     -0.142849      6.181815
  H      -3.000712     -0.581063      4.643058
  H      -2.466739      1.887956      6.371314
  H      -1.307593      0.568769      6.035379
  C     -10.362965      0.579420      6.863875
  C      -9.265831      1.510871      7.337392
  O      -9.461548      2.724112      7.461861
  N      -8.075085      0.887203      7.609718
  C      -6.886086      1.455449      8.081408
  C      -5.776340      0.604360      8.245545
  C      -4.567188      1.109738      8.710693
  C      -4.458888      2.460084      9.019594
  F      -3.243454      2.927910      9.410711
  C      -5.537118      3.339350      8.861780
  C      -5.411731      4.805387      9.131789
  O      -4.734655      5.246331     10.050825
  C      -6.126047      5.747224      8.146344
  C      -5.790556      5.332055      6.735469
  C      -6.777257      4.913730      5.825423
  C      -6.391604      4.253744      4.661804
  N      -5.106319      4.029169      4.365642
  C      -4.133101      4.540895      5.183884
  C      -4.446735      5.198038      6.385268
  C      -6.750151      2.815844      8.386082
  C      -3.274036     -3.398825      9.238893
  C      -3.373596     -3.068369      7.761777
  O      -4.385563     -2.569396      7.269696
  N      -2.262803     -3.409724      7.028863
  C      -2.060087     -3.307156      5.635435
  C      -0.731738     -3.201588      5.182305
  C      -0.475308     -3.119251      3.814058
  C      -1.531667     -3.130041      2.915706
  F      -1.202154     -3.066231      1.590554
  C      -2.876849     -3.233140      3.318963
  C      -4.071828     -3.283371      2.437333
  O      -5.157099     -3.679657      2.889480
  C      -4.027154     -2.727411      1.009398
  C      -4.168493     -1.229111      1.118915
  C      -5.446912     -0.627262      1.099613
  C      -5.561680      0.723528      1.376744
  N      -4.499270      1.516879      1.619257
  C      -3.239445      0.964282      1.544120
  C      -3.056144     -0.418680      1.336178
  C      -3.103797     -3.332949      4.712812
  C      -5.302634     -6.076221     12.621085
  C      -5.615727     -6.524450     11.205852
  O      -5.354983     -7.655276     10.797747
  N      -6.179382     -5.539820     10.425280
  C      -6.538159     -5.576059      9.064075
  C      -6.489433     -6.742161      8.275550
  C      -6.850814     -6.673575      6.931181
  C      -7.230982     -5.461486      6.370341
  F      -7.584485     -5.452929      5.059260
  C      -7.280998     -4.279085      7.122073
  C      -7.575832     -2.918555      6.591629
  O      -7.893933     -2.024037      7.382779
  C      -7.439420     -2.659775      5.104718
  C      -7.161806     -1.222807      4.754419
  C      -8.160314     -0.376978      4.250566
  C      -7.789452      0.922087      3.908298
  N      -6.548994      1.407751      4.001265
  C      -5.569046      0.605299      4.493535
  C      -5.874340     -0.724211      4.896018
  C      -6.947074     -4.376547      8.481104
  H     -10.638468      0.860287      5.837906
  H     -10.072447     -0.478163      6.879174
  H     -11.246718      0.730597      7.498218
  H      -8.031934     -0.123859      7.423047
  H      -5.858383     -0.452207      7.985550
  H      -3.696633      0.462260      8.821378
  H      -5.777648      6.762708      8.379900
  H      -7.213822      5.712381      8.310985
  H      -7.835763      5.005213      6.068594
  H      -7.124749      3.825446      3.980498
  H      -3.654497      5.501637      7.071734
  H      -7.610166      3.463387      8.242682
  H      -2.249525     -3.322149      9.628527
  H      -3.930421     -2.719587      9.794577
  H      -3.626015     -4.429448      9.400412
  H      -1.451430     -3.712724      7.560389
  H       0.094723     -3.185028      5.895460
  H       0.543836     -3.053259      3.432155
  H      -3.101805     -2.997445      0.488040
  H      -4.886357     -3.157512      0.478976
  H      -6.337686     -1.225084      0.908359
  H      -6.537869      1.204180      1.427899
  H      -2.055488     -0.847954      1.340626
  H      -4.131880     -3.429400      5.048017
  H      -5.235639     -6.960904     13.262845
  H      -4.328546     -5.563517     12.636561
  H      -6.057265     -5.385369     13.022141
  H      -6.338534     -4.645397     10.880902
  H      -6.171860     -7.681338      8.719906
  H      -6.838046     -7.566066      6.305022
  H      -8.374615     -3.003076      4.627491
  H      -6.646377     -3.297576      4.686801
  H      -9.187914     -0.720617      4.124818
  H      -8.543714      1.618734      3.521311
  H      -5.102572     -1.383432      5.283039
  H      -6.977968     -3.454086      9.064051
  N      -3.582148      4.405309      1.840823
  H      -3.280001      5.303947      2.223730
  H      -4.522680      4.523887      1.456822
  H      -2.963053      4.119705      1.076180
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543069574134
  N      -2.935604      4.165635      4.695392
  Mo     -3.551370      2.680096      3.351965
  N      -4.304464      1.118887      4.548345
  C      -3.339769      0.275647      5.244854
  C      -2.163336      1.136168      5.621643
  N      -1.710726      1.888517      4.417303
  C      -0.863475      3.051153      4.819214
  C      -1.728640      4.111724      5.484341
  C      -0.923897      0.982528      3.525311
  C      -0.945384      1.539267      2.108092
  N      -2.295998      1.947811      1.776839
  H      -1.181427      5.072193      5.497192
  H      -1.940499      3.857756      6.540135
  H      -0.418471      3.457551      3.901736
  H      -0.049207      2.706406      5.480082
  H      -0.547987      0.787096      1.403811
  H      -0.292299      2.422166      2.026895
  H      -1.412986      0.000460      3.542659
  H       0.097261      0.861613      3.926047
  H      -3.760528     -0.159706      6.165247
  H      -3.017712     -0.582430      4.622732
  H      -2.479976      1.865379      6.377256
  H      -1.326089      0.544623      6.030310
  C     -10.339484      0.544338      6.857872
  C      -9.249015      1.482649      7.333889
  O      -9.455781      2.693389      7.467561
  N      -8.055366      0.866652      7.609386
  C      -6.872320      1.441706      8.087973
  C      -5.758482      0.596881      8.255288
  C      -4.553266      1.108737      8.724708
  C      -4.453790      2.459133      9.035567
  F      -3.241533      2.932918      9.429549
  C      -5.537327      3.332062      8.877266
  C      -5.417957      4.798628      9.149786
  O      -4.747973      5.240304     10.073412
  C      -6.130280      5.739360      8.161923
  C      -5.790277      5.327461      6.751396
  C      -6.777884      4.915885      5.838515
  C      -6.392202      4.262634      4.671258
  N      -5.107195      4.037220      4.375414
  C      -4.133182      4.540698      5.197656
  C      -4.446317      5.191973      6.402763
  C      -6.745768      2.802580      8.396206
  C      -3.324263     -3.438748      9.239549
  C      -3.410692     -3.096796      7.765301
  O      -4.384144     -2.515808      7.284162
  N      -2.319849     -3.491292      7.028545
  C      -2.104729     -3.370984      5.636644
  C      -0.771420     -3.275537      5.196974
  C      -0.501141     -3.185639      3.832077
  C      -1.548442     -3.171978      2.924159
  F      -1.201401     -3.111542      1.603292
  C      -2.900319     -3.256377      3.312830
  C      -4.087551     -3.286416      2.417481
  O      -5.181983     -3.667926      2.859957
  C      -4.024733     -2.717563      0.993048
  C      -4.161703     -1.217802      1.100912
  C      -5.439693     -0.614894      1.070355
  C      -5.556520      0.735973      1.344508
  N      -4.496397      1.528274      1.600305
  C      -3.237191      0.974672      1.538756
  C      -3.051161     -0.406883      1.325127
  C      -3.140363     -3.374308      4.704426
  C      -5.272704     -5.973454     12.624201
  C      -5.550624     -6.434228     11.205784
  O      -5.235217     -7.551787     10.799582
  N      -6.151185     -5.476060     10.420109
  C      -6.491263     -5.527274      9.054889
  C      -6.399835     -6.694676      8.273313
  C      -6.757204     -6.646093      6.926857
  C      -7.174695     -5.450862      6.357032
  F      -7.537492     -5.467247      5.048998
  C      -7.260947     -4.264109      7.100940
  C      -7.604361     -2.916368      6.565576
  O      -7.942645     -2.029400      7.357457
  C      -7.459253     -2.649939      5.080366
  C      -7.182192     -1.209742      4.739580
  C      -8.175125     -0.360768      4.230100
  C      -7.798913      0.938751      3.896188
  N      -6.558466      1.422718      3.998582
  C      -5.583182      0.615423      4.492489
  C      -5.894463     -0.713824      4.891992
  C      -6.930110     -4.342611      8.462153
  H     -10.625203      0.831498      5.836472
  H     -10.038821     -0.510447      6.862039
  H     -11.220554      0.680858      7.499585
  H      -8.003264     -0.141836      7.412083
  H      -5.832651     -0.461271      7.996830
  H      -3.678750      0.466005      8.837285
  H      -5.785389      6.755258      8.398340
  H      -7.218767      5.702355      8.322932
  H      -7.836242      5.008652      6.081027
  H      -7.125558      3.841100      3.986267
  H      -3.653877      5.490462      7.091152
  H      -7.608998      3.445538      8.252306
  H      -2.292866     -3.459332      9.618060
  H      -3.909416     -2.704520      9.804877
  H      -3.769245     -4.432413      9.400134
  H      -1.527264     -3.845646      7.556670
  H       0.048451     -3.277551      5.917719
  H       0.522483     -3.132987      3.460078
  H      -3.094352     -2.989803      0.484376
  H      -4.879092     -3.141615      0.450007
  H      -6.329331     -1.211367      0.869736
  H      -6.532627      1.218254      1.380671
  H      -2.050384     -0.834653      1.335004
  H      -4.173099     -3.471613      5.026672
  H      -5.192261     -6.853724     13.270559
  H      -4.312082     -5.436130     12.652412
  H      -6.050716     -5.300916     13.011377
  H      -6.351318     -4.588470     10.873133
  H      -6.057786     -7.621540      8.725565
  H      -6.717779     -7.542764      6.307868
  H      -8.393688     -2.989310      4.599531
  H      -6.665724     -3.285472      4.660891
  H      -9.201677     -0.702905      4.093128
  H      -8.548412      1.637919      3.504817
  H      -5.125662     -1.377340      5.279434
  H      -6.994426     -3.418957      9.040462
  N      -3.587728      4.418710      1.856610
  H      -3.298808      5.318320      2.247716
  H      -4.526043      4.528683      1.464977
  H      -2.956776      4.146689      1.096770
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543046873574
  N      -2.947542      4.167800      4.680801
  Mo     -3.575932      2.695185      3.328908
  N      -4.304080      1.117987      4.523843
  C      -3.325900      0.278829      5.204620
  C      -2.144099      1.141395      5.559890
  N      -1.715315      1.905760      4.354238
  C      -0.867716      3.069740      4.751452
  C      -1.725811      4.117860      5.445041
  C      -0.938465      1.013304      3.440906
  C      -0.975955      1.587503      2.032154
  N      -2.331142      1.995634      1.718351
  H      -1.185495      5.082221      5.454534
  H      -1.913921      3.852907      6.502691
  H      -0.445195      3.489217      3.829620
  H      -0.037322      2.722514      5.390728
  H      -0.581581      0.845561      1.315449
  H      -0.326150      2.473024      1.955217
  H      -1.424302      0.029943      3.453682
  H       0.088245      0.890743      3.827269
  H      -3.731937     -0.150396      6.134173
  H      -3.016800     -0.582826      4.583008
  H      -2.445841      1.864468      6.327401
  H      -1.297294      0.549257      5.947543
  C     -10.287466      0.522683      6.854728
  C      -9.196481      1.456583      7.338347
  O      -9.405296      2.665437      7.486419
  N      -8.001443      0.838812      7.607206
  C      -6.817964      1.410141      8.091227
  C      -5.704394      0.564635      8.254855
  C      -4.500070      1.074747      8.730366
  C      -4.401422      2.422750      9.051739
  F      -3.190312      2.894550      9.453170
  C      -5.485506      3.295608      8.899973
  C      -5.368674      4.760260      9.185415
  O      -4.695808      5.195864     10.109568
  C      -6.091603      5.705312      8.210384
  C      -5.770121      5.305340      6.792629
  C      -6.772486      4.893357      5.896288
  C      -6.403964      4.251734      4.716965
  N      -5.124268      4.035911      4.393955
  C      -4.136884      4.537743      5.202823
  C      -4.432047      5.182097      6.417257
  C      -6.691974      2.768776      8.411200
  C      -3.216144     -3.377931      9.186727
  C      -3.342094     -3.087533      7.705683
  O      -4.353016     -2.575939      7.220079
  N      -2.237803     -3.440873      6.967545
  C      -2.034929     -3.316180      5.573906
  C      -0.711041     -3.175474      5.120540
  C      -0.458279     -3.078648      3.752689
  C      -1.515795     -3.091989      2.856642
  F      -1.183854     -3.020909      1.532542
  C      -2.860712     -3.210094      3.261034
  C      -4.062905     -3.257785      2.381550
  O      -5.143558     -3.653419      2.841072
  C      -4.022255     -2.687212      0.956520
  C      -4.175066     -1.188627      1.065285
  C      -5.461967     -0.601984      1.063017
  C      -5.589320      0.746810      1.338907
  N      -4.533947      1.552911      1.574378
  C      -3.269820      1.015003      1.491893
  C      -3.071026     -0.363395      1.266330
  C      -3.079806     -3.348528      4.653100
  C      -5.704542     -6.036237     12.814433
  C      -5.842532     -6.482314     11.371364
  O      -5.490642     -7.596125     10.985372
  N      -6.367723     -5.516796     10.541568
  C      -6.575463     -5.555961      9.150451
  C      -6.422915     -6.720972      8.376076
  C      -6.670638     -6.668975      7.005610
  C      -7.046618     -5.474190      6.406797
  F      -7.322460     -5.498149      5.078827
  C      -7.183008     -4.285216      7.142987
  C      -7.515864     -2.937901      6.592950
  O      -7.854550     -2.044300      7.377954
  C      -7.387528     -2.687732      5.103458
  C      -7.146814     -1.245676      4.745706
  C      -8.155824     -0.414965      4.237941
  C      -7.798847      0.887461      3.894665
  N      -6.565958      1.392716      3.987411
  C      -5.575687      0.601997      4.478983
  C      -5.865355     -0.730666      4.883923
  C      -6.952101     -4.365452      8.525405
  H     -10.590362      0.832524      5.845113
  H      -9.981223     -0.529910      6.829072
  H     -11.159096      0.639190      7.513264
  H      -7.949945     -0.165966      7.391630
  H      -5.774228     -0.492659      7.991467
  H      -3.623802      0.433895      8.840410
  H      -5.747873      6.721113      8.449524
  H      -7.177965      5.664650      8.385788
  H      -7.826721      4.975785      6.159241
  H      -7.147336      3.831815      4.041984
  H      -3.628217      5.484041      7.090863
  H      -7.555492      3.411826      8.272751
  H      -2.179097     -3.336020      9.547691
  H      -3.829328     -2.657516      9.739927
  H      -3.608349     -4.386206      9.385045
  H      -1.429567     -3.758864      7.495049
  H       0.116376     -3.152805      5.832179
  H       0.559344     -2.995998      3.369899
  H      -3.090696     -2.946966      0.444844
  H      -4.873997     -3.122379      0.418281
  H      -6.347947     -1.209819      0.881132
  H      -6.569550      1.219587      1.392201
  H      -2.065604     -0.779650      1.251178
  H      -4.105887     -3.485658      4.985129
  H      -5.700499     -6.922010     13.458295
  H      -4.744752     -5.512039     12.943445
  H      -6.508685     -5.355705     13.127029
  H      -6.605776     -4.631690     10.981291
  H      -6.125619     -7.651126      8.852834
  H      -6.586735     -7.565594      6.391001
  H      -8.311342     -3.061072      4.628165
  H      -6.577758     -3.307886      4.692813
  H      -9.177692     -0.772670      4.108832
  H      -8.560009      1.572506      3.500751
  H      -5.084796     -1.384254      5.267302
  H      -7.064504     -3.443960      9.100396
  N      -3.653849      4.453131      1.859991
  H      -3.348825      5.346458      2.253294
  H      -4.601619      4.570471      1.494800
  H      -3.042101      4.183049      1.083697
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543354433575
  N      -2.933498      4.164724      4.695855
  Mo     -3.557126      2.690126      3.343071
  N      -4.295267      1.113383      4.529985
  C      -3.325097      0.270238      5.216956
  C      -2.145339      1.131100      5.585626
  N      -1.705460      1.894682      4.383308
  C      -0.858077      3.056382      4.787097
  C      -1.719418      4.106575      5.472997
  C      -0.924610      0.999612      3.476553
  C      -0.954726      1.573317      2.066522
  N      -2.308038      1.983154      1.745409
  H      -1.175136      5.068583      5.491584
  H      -1.920566      3.839466      6.527834
  H      -0.426620      3.474093      3.868293
  H      -0.034492      2.707461      5.433964
  H      -0.558584      0.830430      1.351671
  H      -0.303655      2.458129      1.992245
  H      -1.412048      0.017489      3.486316
  H       0.099397      0.875121      3.869334
  H      -3.739096     -0.164221      6.140536
  H      -3.011795     -0.589865      4.594049
  H      -2.454165      1.854817      6.349722
  H      -1.302748      0.538410      5.981868
  C     -10.350186      0.556465      6.813108
  C      -9.254538      1.481221      7.302529
  O      -9.449130      2.694430      7.432791
  N      -8.067529      0.851674      7.581068
  C      -6.877581      1.411785      8.063166
  C      -5.772238      0.554655      8.222918
  C      -4.562600      1.050234      8.698682
  C      -4.450901      2.395803      9.027051
  F      -3.235822      2.853891      9.432358
  C      -5.526483      3.279919      8.879801
  C      -5.397051      4.740493      9.178290
  O      -4.717928      5.162687     10.104140
  C      -6.102656      5.699519      8.204717
  C      -5.771345      5.303096      6.788521
  C      -6.767052      4.897912      5.882261
  C      -6.390529      4.257065      4.705080
  N      -5.108505      4.038092      4.393310
  C      -4.127153      4.534800      5.210686
  C      -4.430711      5.175269      6.424754
  C      -6.737619      2.767978      8.387175
  C      -3.289216     -3.474648      9.195863
  C      -3.366208     -3.104165      7.729080
  O      -4.338951     -2.520564      7.249229
  N      -2.284862     -3.512168      6.986402
  C      -2.071818     -3.360648      5.597032
  C      -0.744471     -3.226173      5.152004
  C      -0.486253     -3.106666      3.786506
  C      -1.540516     -3.100172      2.886469
  F      -1.204221     -3.001173      1.564970
  C      -2.887725     -3.217338      3.283087
  C      -4.084054     -3.244444      2.399055
  O      -5.172691     -3.633765      2.846921
  C      -4.027043     -2.684976      0.971303
  C      -4.169183     -1.186290      1.076327
  C      -5.451096     -0.590313      1.075335
  C      -5.569121      0.757538      1.362571
  N      -4.507610      1.553698      1.600134
  C      -3.248060      1.008129      1.509122
  C      -3.058560     -0.370815      1.281762
  C      -3.113690     -3.367596      4.672971
  C      -5.468738     -5.950309     12.754085
  C      -5.667426     -6.409915     11.322263
  O      -5.309959     -7.519017     10.927686
  N      -6.250194     -5.461655     10.510965
  C      -6.518962     -5.515790      9.130122
  C      -6.393512     -6.687482      8.360536
  C      -6.690500     -6.646300      6.999234
  C      -7.087878     -5.456329      6.404937
  F      -7.400058     -5.486351      5.084688
  C      -7.201595     -4.262668      7.135853
  C      -7.535689     -2.919185      6.582765
  O      -7.880636     -2.023517      7.363494
  C      -7.413267     -2.673842      5.091403
  C      -7.154831     -1.234958      4.733739
  C      -8.157286     -0.393781      4.230458
  C      -7.791609      0.908136      3.894668
  N      -6.554880      1.402982      3.990237
  C      -5.569873      0.602263      4.475764
  C      -5.868319     -0.731267      4.871824
  C      -6.924647     -4.332649      8.510352
  H     -10.650122      0.873661      5.804864
  H     -10.049933     -0.497821      6.783623
  H     -11.222306      0.674928      7.470739
  H      -8.026341     -0.155743      7.374524
  H      -5.852440     -0.500088      7.954365
  H      -3.694017      0.399157      8.804673
  H      -5.750645      6.710277      8.453308
  H      -7.190782      5.667579      8.369399
  H      -7.823314      4.984462      6.135804
  H      -7.129400      3.840587      4.022780
  H      -3.632260      5.471041      7.107334
  H      -7.594959      3.419729      8.252303
  H      -2.258788     -3.551854      9.568796
  H      -3.838009     -2.725159      9.777518
  H      -3.781073     -4.448229      9.341303
  H      -1.500443     -3.894060      7.506980
  H       0.079336     -3.218138      5.868113
  H       0.532857     -3.020684      3.408501
  H      -3.095053     -2.954725      0.463766
  H      -4.879850     -3.115272      0.430623
  H      -6.341433     -1.191543      0.892492
  H      -6.546220      1.235648      1.423272
  H      -2.056227     -0.795827      1.269340
  H      -4.143176     -3.490610      5.000667
  H      -5.439098     -6.830031     13.405696
  H      -4.502848     -5.428456     12.837501
  H      -6.257082     -5.264660     13.094107
  H      -6.482214     -4.576354     10.953721
  H      -6.072694     -7.612189      8.832288
  H      -6.622993     -7.546634      6.388034
  H      -8.347758     -3.030925      4.623736
  H      -6.615438     -3.304346      4.673308
  H      -9.182705     -0.742095      4.103183
  H      -8.548873      1.602387      3.508902
  H      -5.091005     -1.392160      5.249569
  H      -7.012406     -3.405486      9.080272
  N      -3.630796      4.439372      1.866808
  H      -3.327567      5.334558      2.257196
  H      -4.579111      4.555096      1.501992
  H      -3.021143      4.168934      1.089136
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543383629084
  N      -2.945242      4.169074      4.690274
  Mo     -3.567084      2.682408      3.351090
  N      -4.311346      1.114602      4.541652
  C      -3.344949      0.271942      5.236799
  C      -2.165463      1.134070      5.608473
  N      -1.720904      1.891301      4.403851
  C      -0.873310      3.055497      4.801384
  C      -1.734577      4.114523      5.473204
  C      -0.937875      0.989800      3.504746
  C      -0.963760      1.555757      2.090683
  N      -2.316566      1.963071      1.762459
  H      -1.187477      5.075075      5.485263
  H      -1.941277      3.858288      6.529669
  H      -0.437127      3.464156      3.880516
  H      -0.052943      2.711001      5.454575
  H      -0.566429      0.808314      1.381312
  H      -0.311917      2.439849      2.012899
  H      -1.425656      0.007986      3.519061
  H       0.084912      0.867105      3.901276
  H      -3.764203     -0.159676      6.160182
  H      -3.030941     -0.591183      4.617088
  H      -2.476748      1.860606      6.368868
  H      -1.324946      0.542159      6.010916
  C     -10.307577      0.552756      6.863607
  C      -9.212384      1.487076      7.335535
  O      -9.412572      2.699703      7.462000
  N      -8.021035      0.866402      7.611616
  C      -6.835349      1.439322      8.085075
  C      -5.719698      0.595443      8.242348
  C      -4.512471      1.107412      8.705864
  C      -4.413834      2.456282      9.024560
  F      -3.200457      2.930564      9.414220
  C      -5.500203      3.327879      8.877673
  C      -5.385932      4.793148      9.160196
  O      -4.712672      5.232216     10.082550
  C      -6.109685      5.735398      8.182358
  C      -5.784123      5.327957      6.767730
  C      -6.779983      4.912461      5.865528
  C      -6.403005      4.262261      4.693587
  N      -5.120297      4.043128      4.383201
  C      -4.139810      4.546611      5.197491
  C      -4.444155      5.197134      6.405181
  C      -6.709306      2.798471      8.399187
  C      -3.357090     -3.488466      9.203734
  C      -3.402611     -3.107417      7.738149
  O      -4.353259     -2.497310      7.247298
  N      -2.319184     -3.531838      7.007818
  C      -2.089018     -3.370445      5.622498
  C      -0.758202     -3.218453      5.194213
  C      -0.485791     -3.091589      3.832085
  C      -1.529296     -3.099254      2.919711
  F      -1.178347     -2.995482      1.602322
  C      -2.879461     -3.238857      3.299399
  C      -4.064019     -3.283063      2.401688
  O      -5.152131     -3.689442      2.835518
  C      -4.000745     -2.716106      0.978146
  C      -4.156091     -1.219505      1.092909
  C      -5.442524     -0.633107      1.084721
  C      -5.572506      0.713964      1.369369
  N      -4.517984      1.519046      1.612359
  C      -3.252746      0.982092      1.529892
  C      -3.053093     -0.396354      1.307016
  C      -3.119892     -3.390029      4.686722
  C      -5.399177     -5.968837     12.687862
  C      -5.615530     -6.422157     11.256699
  O      -5.240423     -7.520161     10.847644
  N      -6.231932     -5.480408     10.462510
  C      -6.520201     -5.529480      9.084985
  C      -6.392411     -6.694927      8.305983
  C      -6.700102     -6.645384      6.947111
  C      -7.109900     -5.453665      6.364785
  F      -7.421594     -5.472590      5.043972
  C      -7.230072     -4.267472      7.105830
  C      -7.567616     -2.922008      6.562571
  O      -7.910870     -2.031071      7.349650
  C      -7.446509     -2.665631      5.074003
  C      -7.180654     -1.225053      4.727632
  C      -8.178447     -0.377544      4.225707
  C      -7.806624      0.923700      3.893705
  N      -6.567663      1.412125      3.993542
  C      -5.588161      0.606439      4.481906
  C      -5.893180     -0.725701      4.875810
  C      -6.943726     -4.346422      8.477881
  H     -10.620800      0.862632      5.857159
  H     -10.000283     -0.499677      6.836423
  H     -11.172993      0.668251      7.530613
  H      -7.973826     -0.142556      7.413250
  H      -5.789040     -0.461497      7.980405
  H      -3.636345      0.465748      8.808525
  H      -5.765480      6.752029      8.417260
  H      -7.196086      5.695036      8.355924
  H      -7.836216      4.999342      6.119071
  H      -7.141749      3.838626      4.015259
  H      -3.645862      5.498209      7.085626
  H      -7.575138      3.439999      8.264388
  H      -2.335337     -3.607650      9.588972
  H      -3.884169     -2.722106      9.783818
  H      -3.888635     -4.442947      9.336695
  H      -1.545761     -3.926234      7.535346
  H       0.056499     -3.200073      5.920432
  H       0.536321     -2.990634      3.466017
  H      -3.063240     -2.976129      0.475447
  H      -4.846336     -3.149862      0.428935
  H      -6.327208     -1.240549      0.895156
  H      -6.553537      1.184246      1.423738
  H      -2.047254     -0.812982      1.297633
  H      -4.151346     -3.525859      5.002062
  H      -5.352969     -6.851860     13.334186
  H      -4.435566     -5.441277     12.759050
  H      -6.186794     -5.290860     13.044191
  H      -6.471238     -4.602085     10.914857
  H      -6.057235     -7.619676      8.767220
  H      -6.626537     -7.539456      6.327426
  H      -8.384783     -3.013244      4.605813
  H      -6.652788     -3.295606      4.647326
  H      -9.205305     -0.721036      4.094404
  H      -8.560065      1.622546      3.508754
  H      -5.120874     -1.388290      5.258304
  H      -7.031617     -3.423516      9.054450
  N      -3.627496      4.414461      1.849938
  H      -3.340882      5.316738      2.236078
  H      -4.570095      4.515663      1.466744
  H      -3.000032      4.142997      1.086956
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543454223215
  N      -2.948345      4.178921      4.678609
  Mo     -3.564516      2.689819      3.338348
  N      -4.302709      1.121606      4.535922
  C      -3.331530      0.281769      5.227623
  C      -2.154552      1.145986      5.593982
  N      -1.714686      1.905515      4.388536
  C      -0.871528      3.072541      4.787655
  C      -1.737121      4.126887      5.461541
  C      -0.928210      1.009205      3.487587
  C      -0.953832      1.579207      2.075411
  N      -2.307532      1.982181      1.746373
  H      -1.193344      5.089265      5.476703
  H      -1.943589      3.866874      6.517096
  H      -0.437848      3.484303      3.867037
  H      -0.049257      2.730189      5.439552
  H      -0.551939      0.835402      1.364784
  H      -0.305548      2.466055      2.000875
  H      -1.413673      0.025582      3.498293
  H       0.094392      0.888133      3.884919
  H      -3.745468     -0.149123      6.153650
  H      -3.017404     -0.581292      4.607980
  H      -2.466805      1.871628      6.354731
  H      -1.311248      0.556989      5.994670
  C     -10.331190      0.543778      6.882724
  C      -9.230224      1.477285      7.342783
  O      -9.428719      2.690016      7.471727
  N      -8.039220      0.854634      7.615479
  C      -6.850670      1.425310      8.084562
  C      -5.734451      0.580407      8.230982
  C      -4.523616      1.090351      8.687316
  C      -4.421590      2.438616      9.007835
  F      -3.204295      2.911876      9.387121
  C      -5.508568      3.311122      8.871238
  C      -5.390096      4.775824      9.154777
  O      -4.715266      5.212331     10.076924
  C      -6.115593      5.720483      8.180105
  C      -5.789181      5.320428      6.763396
  C      -6.784986      4.900191      5.863211
  C      -6.406849      4.253307      4.689804
  N      -5.123636      4.042007      4.376651
  C      -4.144298      4.549998      5.188340
  C      -4.449443      5.199638      6.396803
  C      -6.722036      2.783167      8.402603
  C      -3.296450     -3.510070      9.213027
  C      -3.354922     -3.128179      7.748436
  O      -4.289518     -2.479920      7.276344
  N      -2.290174     -3.574676      7.002813
  C      -2.064648     -3.397267      5.617561
  C      -0.734255     -3.256229      5.184638
  C      -0.466760     -3.124787      3.822073
  C      -1.513995     -3.114404      2.914144
  F      -1.164281     -3.015385      1.595930
  C      -2.864988     -3.236299      3.298397
  C      -4.054556     -3.265704      2.405643
  O      -5.148299     -3.645507      2.849040
  C      -3.990638     -2.701151      0.980201
  C      -4.143287     -1.203336      1.085523
  C      -5.429226     -0.616219      1.070025
  C      -5.559265      0.732490      1.346884
  N      -4.505171      1.536447      1.592417
  C      -3.240959      0.999710      1.513282
  C      -3.039969     -0.379112      1.294037
  C      -3.100017     -3.396001      4.686353
  C      -5.452362     -5.971004     12.712971
  C      -5.656664     -6.420157     11.278936
  O      -5.274018     -7.515320     10.869318
  N      -6.272924     -5.479430     10.483173
  C      -6.548233     -5.526528      9.102824
  C      -6.426422     -6.694838      8.326968
  C      -6.722394     -6.643915      6.965560
  C      -7.115565     -5.449285      6.377702
  F      -7.419289     -5.469946      5.054982
  C      -7.230323     -4.260314      7.115608
  C      -7.559430     -2.914124      6.570669
  O      -7.877302     -2.014621      7.359496
  C      -7.437372     -2.657943      5.081569
  C      -7.172159     -1.217114      4.735325
  C      -8.171549     -0.368658      4.238527
  C      -7.800905      0.933149      3.907588
  N      -6.561635      1.421497      4.002216
  C      -5.579507      0.614183      4.483411
  C      -5.883730     -0.718018      4.878360
  C      -6.953484     -4.340169      8.490032
  H     -10.677997      0.873913      5.894098
  H     -10.018116     -0.505645      6.824116
  H     -11.177218      0.637815      7.577877
  H      -7.993174     -0.154290      7.415559
  H      -5.805812     -0.475786      7.966576
  H      -3.646660      0.448704      8.781450
  H      -5.774176      6.736850      8.420188
  H      -7.201936      5.676330      8.353209
  H      -7.841071      4.979002      6.119763
  H      -7.144319      3.824674      4.013271
  H      -3.651293      5.505082      7.075482
  H      -7.588660      3.425310      8.276132
  H      -2.275366     -3.690194      9.575668
  H      -3.764708     -2.714583      9.804574
  H      -3.881326     -4.430499      9.358558
  H      -1.523804     -3.996414      7.519383
  H       0.083671     -3.254074      5.907337
  H       0.554933     -3.035920      3.451698
  H      -3.053566     -2.965461      0.479297
  H      -4.836740     -3.134916      0.431897
  H      -6.313740     -1.224218      0.881543
  H      -6.539781      1.204026      1.396971
  H      -2.034747     -0.796341      1.287919
  H      -4.130955     -3.525199      5.004906
  H      -5.435789     -6.854375     13.360401
  H      -4.477270     -5.467084     12.797589
  H      -6.228592     -5.274299     13.057725
  H      -6.515717     -4.601700     10.934708
  H      -6.104739     -7.622424      8.792081
  H      -6.653134     -7.539647      6.347734
  H      -8.376046     -3.005445      4.614300
  H      -6.644391     -3.288558      4.654356
  H      -9.199073     -0.711727      4.111462
  H      -8.556065      1.632859      3.527579
  H      -5.109886     -1.381966      5.255544
  H      -7.036991     -3.415399      9.064395
  N      -3.660217      4.427037      1.851589
  H      -3.352071      5.325038      2.231146
  H      -4.613790      4.539373      1.499902
  H      -3.060058      4.150241      1.068705
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543505092435
  N      -2.945981      4.183868      4.687202
  Mo     -3.571345      2.698883      3.346459
  N      -4.298414      1.118142      4.534121
  C      -3.321489      0.278325      5.215228
  C      -2.145939      1.144759      5.583868
  N      -1.714052      1.911025      4.381262
  C      -0.869558      3.076588      4.780634
  C      -1.731028      4.127253      5.463618
  C      -0.931706      1.018637      3.472982
  C      -0.966785      1.591947      2.063118
  N      -2.322467      1.995970      1.745464
  H      -1.186809      5.089248      5.480798
  H      -1.932430      3.861817      6.518840
  H      -0.440858      3.492330      3.859651
  H      -0.043627      2.731260      5.426331
  H      -0.569187      0.850417      1.347702
  H      -0.318631      2.478674      1.987176
  H      -1.414716      0.033908      3.485474
  H       0.093820      0.899612      3.863524
  H      -3.729925     -0.159847      6.139797
  H      -3.006338     -0.579194      4.589614
  H      -2.455334      1.865213      6.350924
  H      -1.300308      0.554274      5.976624
  C     -10.311100      0.542142      6.817170
  C      -9.218418      1.474114      7.299408
  O      -9.420652      2.685877      7.432695
  N      -8.029245      0.850668      7.580089
  C      -6.845077      1.415583      8.070007
  C      -5.735447      0.564295      8.228671
  C      -4.529644      1.064583      8.708794
  C      -4.425343      2.410402      9.039349
  F      -3.212395      2.874498      9.443588
  C      -5.505628      3.289136      8.893164
  C      -5.381969      4.751347      9.189877
  O      -4.705241      5.177243     10.115545
  C      -6.095959      5.706741      8.217672
  C      -5.772977      5.309844      6.799616
  C      -6.774717      4.894770      5.903556
  C      -6.404393      4.254585      4.724533
  N      -5.123204      4.046180      4.401682
  C      -4.138351      4.549473      5.209229
  C      -4.434861      5.191201      6.424453
  C      -6.714549      2.771033      8.401102
  C      -3.262156     -3.504210      9.185510
  C      -3.332528     -3.122561      7.721880
  O      -4.272896     -2.477198      7.256835
  N      -2.276847     -3.575728      6.967327
  C      -2.060002     -3.394504      5.580402
  C      -0.733405     -3.244481      5.139520
  C      -0.475426     -3.106993      3.775526
  C      -1.528778     -3.095916      2.874940
  F      -1.188392     -2.988514      1.554894
  C      -2.876844     -3.222369      3.267785
  C      -4.072965     -3.245904      2.383345
  O      -5.163297     -3.629893      2.831441
  C      -4.015756     -2.679474      0.957568
  C      -4.164713     -1.181355      1.063158
  C      -5.450186     -0.593001      1.061722
  C      -5.576762      0.754145      1.347520
  N      -4.519996      1.555502      1.590409
  C      -3.257673      1.017393      1.502853
  C      -3.059222     -0.359397      1.268902
  C      -3.101561     -3.393509      4.656263
  C      -5.560399     -5.940777     12.788042
  C      -5.715064     -6.394168     11.349139
  O      -5.307239     -7.485276     10.953273
  N      -6.321868     -5.464045     10.534067
  C      -6.555495     -5.518431      9.146404
  C      -6.407508     -6.690645      8.381606
  C      -6.672065     -6.650570      7.013452
  C      -7.059642     -5.462753      6.408516
  F      -7.342919     -5.498938      5.081825
  C      -7.196050     -4.268205      7.134951
  C      -7.529950     -2.928491      6.576066
  O      -7.884390     -2.031804      7.353116
  C      -7.403003     -2.682776      5.085075
  C      -7.149250     -1.242390      4.729888
  C      -8.150705     -0.406573      4.216732
  C      -7.789595      0.897643      3.885140
  N      -6.556292      1.398576      3.988860
  C      -5.570626      0.601168      4.479257
  C      -5.865778     -0.731643      4.878658
  C      -6.950245     -4.337555      8.516112
  H     -10.641392      0.872583      5.822957
  H      -9.996278     -0.506936      6.762964
  H     -11.168549      0.634606      7.498342
  H      -7.981419     -0.155987      7.370677
  H      -5.808357     -0.490740      7.957897
  H      -3.658110      0.417071      8.813958
  H      -5.747441      6.719302      8.463380
  H      -7.183004      5.670340      8.389343
  H      -7.829165      4.973088      6.166751
  H      -7.145870      3.831219      4.049540
  H      -3.632093      5.494161      7.098779
  H      -7.575609      3.418325      8.267304
  H      -2.239263     -3.695493      9.537116
  H      -3.715214     -2.703427      9.781669
  H      -3.855668     -4.417637      9.337822
  H      -1.509055     -4.002573      7.477513
  H       0.089168     -3.241204      5.856867
  H       0.543378     -3.012346      3.398646
  H      -3.081062     -2.945551      0.453784
  H      -4.864983     -3.111745      0.412751
  H      -6.337153     -1.198764      0.877470
  H      -6.556519      1.226690      1.405817
  H      -2.054273     -0.777419      1.254595
  H      -4.130441     -3.530999      4.980082
  H      -5.564166     -6.822342     13.438213
  H      -4.589324     -5.435244     12.904134
  H      -6.348922     -5.244499     13.104666
  H      -6.587391     -4.587674     10.975608
  H      -6.093981     -7.613888      8.860938
  H      -6.586622     -7.550695      6.404131
  H      -8.337298     -3.041525      4.617850
  H      -6.604411     -3.310504      4.664483
  H      -9.173165     -0.760222      4.079583
  H      -8.547740      1.588367      3.494959
  H      -5.088047     -1.387384      5.264376
  H      -7.055675     -3.410222      9.082809
  N      -3.678742      4.431200      1.853499
  H      -3.411170      5.338262      2.242762
  H      -4.625020      4.511198      1.474613
  H      -3.047444      4.177746      1.087716
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543565162895
  N      -2.949187      4.177117      4.678960
  Mo     -3.574005      2.692461      3.337770
  N      -4.305001      1.119215      4.531913
  C      -3.331626      0.278832      5.219552
  C      -2.151602      1.141669      5.579943
  N      -1.718410      1.904282      4.374119
  C      -0.872527      3.069678      4.771622
  C      -1.733427      4.121473      5.454397
  C      -0.937327      1.011738      3.464990
  C      -0.966878      1.589656      2.056822
  N      -2.321552      1.995324      1.734858
  H      -1.188890      5.083389      5.469677
  H      -1.933971      3.857793      6.510239
  H      -0.444876      3.484520      3.849717
  H      -0.046153      2.724884      5.416976
  H      -0.567785      0.849741      1.340597
  H      -0.317994      2.476161      1.984955
  H      -1.424697      0.029540      3.471943
  H       0.086667      0.886196      3.857530
  H      -3.742571     -0.151745      6.146540
  H      -3.022927     -0.585049      4.598840
  H      -2.458577      1.865855      6.344358
  H      -1.305942      0.551895      5.974115
  C     -10.293997      0.547595      6.829619
  C      -9.197843      1.479559      7.303712
  O      -9.396665      2.692765      7.427849
  N      -8.010052      0.855168      7.589539
  C      -6.825473      1.422800      8.075162
  C      -5.713307      0.574938      8.236783
  C      -4.508919      1.080659      8.715316
  C      -4.408632      2.427719      9.041869
  F      -3.197915      2.897321      9.446459
  C      -5.491050      3.302685      8.891660
  C      -5.374498      4.765798      9.182730
  O      -4.698125      5.198609     10.105580
  C      -6.093139      5.714606      8.207553
  C      -5.774628      5.311967      6.789765
  C      -6.776725      4.894876      5.895365
  C      -6.407661      4.251415      4.717495
  N      -5.126978      4.041226      4.392905
  C      -4.141247      4.545930      5.199230
  C      -4.437262      5.190403      6.413255
  C      -6.697968      2.779442      8.400795
  C      -3.331612     -3.529639      9.192047
  C      -3.374436     -3.129072      7.732208
  O      -4.308892     -2.482503      7.256540
  N      -2.308395     -3.576704      6.989428
  C      -2.077637     -3.387518      5.606316
  C      -0.748383     -3.225387      5.178451
  C      -0.479351     -3.081154      3.817231
  C      -1.524736     -3.077502      2.907076
  F      -1.174136     -2.960153      1.590578
  C      -2.874961     -3.218036      3.287174
  C      -4.063119     -3.249144      2.392654
  O      -5.154277     -3.643268      2.830008
  C      -3.995078     -2.689591      0.965369
  C      -4.152573     -1.192738      1.070516
  C      -5.441273     -0.610999      1.069089
  C      -5.574094      0.735572      1.353584
  N      -4.520715      1.543416      1.590950
  C      -3.254966      1.011679      1.502435
  C      -3.050974     -0.365611      1.275469
  C      -3.110703     -3.392256      4.672917
  C      -5.520996     -5.954132     12.761973
  C      -5.685649     -6.403025     11.322882
  O      -5.268389     -7.487301     10.918214
  N      -6.308641     -5.475522     10.517161
  C      -6.548347     -5.524690      9.130320
  C      -6.397580     -6.692602      8.359131
  C      -6.665000     -6.646175      6.991812
  C      -7.058408     -5.456496      6.394097
  F      -7.337634     -5.484328      5.066348
  C      -7.199693     -4.266792      7.127148
  C      -7.533500     -2.924708      6.574282
  O      -7.877045     -2.027950      7.355864
  C      -7.414673     -2.676027      5.083716
  C      -7.159646     -1.235702      4.729777
  C      -8.161393     -0.397643      4.220652
  C      -7.797910      0.905023      3.885048
  N      -6.562892      1.402698      3.985249
  C      -5.578517      0.604714      4.476686
  C      -5.875121     -0.727910      4.875105
  C      -6.951007     -4.342823      8.507501
  H     -10.644671      0.891830      5.847293
  H      -9.974593     -0.498639      6.754171
  H     -11.139047      0.625000      7.528107
  H      -7.964274     -0.153187      7.387739
  H      -5.782431     -0.480790      7.969040
  H      -3.635340      0.436426      8.822768
  H      -5.744149      6.728753      8.446098
  H      -7.179362      5.678278      8.383796
  H      -7.831053      4.974349      6.158979
  H      -7.150108      3.827135      4.044041
  H      -3.633895      5.494683      7.086326
  H      -7.560921      3.423552      8.264128
  H      -2.318313     -3.746037      9.556275
  H      -3.777552     -2.727408      9.791830
  H      -3.946265     -4.432324      9.324525
  H      -1.546595     -4.005817      7.506577
  H       0.067231     -3.216143      5.903610
  H       0.541788     -2.975070      3.449865
  H      -3.055102     -2.951712      0.469062
  H      -4.837459     -3.127234      0.414266
  H      -6.324860     -1.222231      0.886783
  H      -6.556134      1.203480      1.413714
  H      -2.044579     -0.780450      1.261970
  H      -4.141065     -3.538190      4.988608
  H      -5.529351     -6.837331     13.410012
  H      -4.544208     -5.458831     12.874099
  H      -6.300855     -5.251132     13.084916
  H      -6.578769     -4.603653     10.964564
  H      -6.078386     -7.616979      8.832416
  H      -6.575783     -7.542301      6.377148
  H      -8.349084     -3.035089      4.617042
  H      -6.615443     -3.301483      4.660582
  H      -9.185242     -0.748652      4.087824
  H      -8.555377      1.596642      3.495047
  H      -5.098158     -1.385045      5.259658
  H      -7.058175     -3.418778      9.079272
  N      -3.692814      4.433301      1.856833
  H      -3.393588      5.333037      2.239586
  H      -4.648511      4.535152      1.508053
  H      -3.091067      4.165122      1.072250
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543592430860
  N      -2.949534      4.182866      4.677675
  Mo     -3.571500      2.690880      3.344579
  N      -4.310885      1.121746      4.537587
  C      -3.341519      0.283545      5.233807
  C      -2.163145      1.147766      5.600321
  N      -1.722717      1.904097      4.394065
  C      -0.876234      3.070357      4.788585
  C      -1.737526      4.129310      5.459241
  C      -0.938484      1.004120      3.494696
  C      -0.961813      1.572632      2.081889
  N      -2.314153      1.980023      1.752857
  H      -1.190481      5.089858      5.470376
  H      -1.943959      3.873842      6.515939
  H      -0.442313      3.477866      3.866269
  H      -0.054178      2.727767      5.440530
  H      -0.562753      0.826661      1.372040
  H      -0.309568      2.456477      2.006069
  H      -1.426499      0.021893      3.507694
  H       0.083751      0.881133      3.892471
  H      -3.758136     -0.142795      6.160563
  H      -3.028675     -0.582660      4.617975
  H      -2.473607      1.874875      6.360533
  H      -1.320832      0.557891      6.001812
  C     -10.314125      0.553697      6.865206
  C      -9.213262      1.486582      7.326508
  O      -9.409044      2.700527      7.448509
  N      -8.023484      0.862526      7.601647
  C      -6.836177      1.430809      8.077620
  C      -5.722447      0.583561      8.229670
  C      -4.513293      1.090411      8.693847
  C      -4.410375      2.437959      9.017199
  F      -3.194921      2.907893      9.406045
  C      -5.495082      3.312616      8.877055
  C      -5.376334      4.776527      9.165456
  O      -4.701989      5.210232     10.089258
  C      -6.100539      5.724606      8.193081
  C      -5.780349      5.324830      6.775247
  C      -6.780469      4.904051      5.880097
  C      -6.408343      4.257382      4.705119
  N      -5.126437      4.046908      4.385478
  C      -4.143275      4.555395      5.192011
  C      -4.442273      5.205209      6.401900
  C      -6.706723      2.787928      8.399495
  C      -3.318849     -3.498112      9.201317
  C      -3.365918     -3.119917      7.735446
  O      -4.303571     -2.484060      7.252602
  N      -2.298376     -3.571903      6.997457
  C      -2.067003     -3.394229      5.612725
  C      -0.737444     -3.237692      5.183480
  C      -0.468867     -3.102672      3.821158
  C      -1.514700     -3.102016      2.911462
  F      -1.164667     -2.994048      1.593954
  C      -2.865040     -3.236818      3.292960
  C      -4.054209     -3.267944      2.400279
  O      -5.146212     -3.656424      2.840467
  C      -3.989331     -2.702801      0.975314
  C      -4.146407     -1.205804      1.082866
  C      -5.434066     -0.622194      1.073964
  C      -5.566281      0.725184      1.355828
  N      -4.513276      1.531934      1.598331
  C      -3.248199      0.998464      1.515695
  C      -3.044931     -0.379476      1.291459
  C      -3.100322     -3.402614      4.679777
  C      -5.462904     -5.974122     12.720998
  C      -5.653970     -6.418347     11.283734
  O      -5.247776     -7.503322     10.869798
  N      -6.287479     -5.486755     10.490865
  C      -6.549633     -5.531935      9.107800
  C      -6.420425     -6.699988      8.332647
  C      -6.704811     -6.647858      6.968922
  C      -7.094563     -5.453247      6.378625
  F      -7.386525     -5.475108      5.053263
  C      -7.217083     -4.264246      7.115891
  C      -7.544306     -2.918508      6.569773
  O      -7.861974     -2.017497      7.357781
  C      -7.433113     -2.665443      5.079474
  C      -7.173010     -1.225273      4.728596
  C      -8.172684     -0.381903      4.224387
  C      -7.805414      0.920754      3.892131
  N      -6.568309      1.413789      3.991528
  C      -5.586045      0.610683      4.479786
  C      -5.887109     -0.721093      4.876567
  C      -6.951196     -4.345808      8.492878
  H     -10.668633      0.888806      5.881095
  H      -9.997607     -0.494129      6.798711
  H     -11.155568      0.639558      7.567107
  H      -7.979632     -0.147092      7.404301
  H      -5.794555     -0.472307      7.963958
  H      -3.638727      0.446101      8.792698
  H      -5.755513      6.739647      8.433446
  H      -7.186523      5.683537      8.369952
  H      -7.835296      4.981769      6.142077
  H      -7.148679      3.828323      4.032099
  H      -3.640749      5.511377      7.076220
  H      -7.571794      3.431443      8.271070
  H      -2.303923     -3.702953      9.567448
  H      -3.768282     -2.689233      9.789595
  H      -3.928375     -4.401994      9.348699
  H      -1.535444     -3.993467      7.519102
  H       0.078494     -3.225906      5.908245
  H       0.552315     -3.001659      3.452495
  H      -3.050033     -2.964193      0.476807
  H      -4.832728     -3.138933      0.424634
  H      -6.317829     -1.231744      0.886941
  H      -6.547719      1.194547      1.409276
  H      -2.038695     -0.794383      1.282268
  H      -4.130828     -3.542212      4.996220
  H      -5.470540     -6.858548     13.367513
  H      -4.479317     -5.489664     12.818958
  H      -6.230419     -5.263963     13.057358
  H      -6.544849     -4.614065     10.944034
  H      -6.102181     -7.627825      8.799594
  H      -6.630338     -7.542862      6.350646
  H      -8.373173     -3.017864      4.618670
  H      -6.641175     -3.294167      4.647478
  H      -9.198211     -0.729086      4.092271
  H      -8.561527      1.616459      3.506870
  H      -5.112649     -1.380487      5.261266
  H      -7.041808     -3.421741      9.067449
  N      -3.674941      4.415220      1.841642
  H      -3.404867      5.323359      2.226080
  H      -4.621138      4.494986      1.462740
  H      -3.044097      4.154257      1.077915
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543629900275
  N      -2.952145      4.186907      4.671330
  Mo     -3.574994      2.694230      3.339085
  N      -4.306992      1.123451      4.534657
  C      -3.333899      0.285994      5.226151
  C      -2.156540      1.151786      5.589472
  N      -1.721505      1.910255      4.382454
  C      -0.876270      3.077658      4.776073
  C      -1.737782      4.134341      5.449602
  C      -0.937994      1.013589      3.479493
  C      -0.964840      1.585310      2.068352
  N      -2.318774      1.990199      1.742831
  H      -1.192186      5.095701      5.460657
  H      -1.941431      3.877315      6.506481
  H      -0.445199      3.486643      3.853116
  H      -0.052113      2.736024      5.425883
  H      -0.565414      0.841644      1.356211
  H      -0.314716      2.470645      1.993240
  H      -1.425008      0.031061      3.490545
  H       0.085113      0.890656      3.875115
  H      -3.746396     -0.143071      6.153432
  H      -3.021607     -0.578451      4.607831
  H      -2.466398      1.877714      6.351144
  H      -1.311901      0.563392      5.987923
  C     -10.291734      0.543186      6.847085
  C      -9.193977      1.478384      7.310989
  O      -9.393907      2.691406      7.435622
  N      -8.004012      0.856619      7.590823
  C      -6.820425      1.426622      8.074476
  C      -5.705951      0.581195      8.231829
  C      -4.500658      1.089409      8.704643
  C      -4.402005      2.436966      9.029970
  F      -3.189832      2.908967      9.426577
  C      -5.487247      3.309790      8.884262
  C      -5.371673      4.773902      9.172762
  O      -4.697722      5.208882     10.096283
  C      -6.095819      5.721036      8.199311
  C      -5.778073      5.319863      6.781216
  C      -6.780280      4.897088      5.889276
  C      -6.410966      4.251477      4.712898
  N      -5.129612      4.044586      4.388540
  C      -4.144971      4.554743      5.191608
  C      -4.440856      5.202560      6.403538
  C      -6.695397      2.783432      8.399636
  C      -3.308423     -3.498970      9.206754
  C      -3.361982     -3.121344      7.741044
  O      -4.296865     -2.476536      7.264722
  N      -2.297832     -3.573896      6.998336
  C      -2.068666     -3.390303      5.613941
  C      -0.739532     -3.230772      5.184490
  C      -0.471920     -3.090242      3.822595
  C      -1.518052     -3.087933      2.913456
  F      -1.167993     -2.976152      1.596234
  C      -2.868225     -3.226155      3.294783
  C      -4.057122     -3.257262      2.401999
  O      -5.149868     -3.643447      2.842656
  C      -3.991487     -2.696108      0.975110
  C      -4.148297     -1.198788      1.078317
  C      -5.436471     -0.616286      1.070083
  C      -5.569724      0.731214      1.350273
  N      -4.517013      1.538775      1.591134
  C      -3.251433      1.006565      1.508056
  C      -3.047086     -0.371471      1.284577
  C      -3.102746     -3.396699      4.681563
  C      -5.500371     -5.982083     12.738040
  C      -5.682724     -6.424732     11.299159
  O      -5.272308     -7.508627     10.886569
  N      -6.314371     -5.494023     10.503772
  C      -6.567189     -5.538578      9.118770
  C      -6.437583     -6.707695      8.345295
  C      -6.713113     -6.655172      6.979809
  C      -7.094435     -5.459416      6.386346
  F      -7.379285     -5.481896      5.059436
  C      -7.217074     -4.269306      7.121916
  C      -7.536647     -2.922952      6.573587
  O      -7.865264     -2.023185      7.358724
  C      -7.420171     -2.671154      5.083415
  C      -7.162883     -1.230921      4.731189
  C      -8.163338     -0.392315      4.220772
  C      -7.799840      0.910987      3.887176
  N      -6.564781      1.408176      3.988418
  C      -5.580903      0.608883      4.479382
  C      -5.878609     -0.722467      4.880179
  C      -6.960318     -4.351406      8.500691
  H     -10.657047      0.887993      5.870390
  H      -9.968520     -0.501515      6.765789
  H     -11.128090      0.614261      7.556846
  H      -7.956655     -0.152589      7.392371
  H      -5.775256     -0.474683      7.964541
  H      -3.625601      0.446495      8.808292
  H      -5.750004      6.736068      8.438452
  H      -7.181666      5.680590      8.377257
  H      -7.834414      4.973057      6.154534
  H      -7.152491      3.821542      4.041927
  H      -3.637623      5.510497      7.075013
  H      -7.560841      3.425469      8.266983
  H      -2.294782     -3.724612      9.564077
  H      -3.735639     -2.680436      9.798358
  H      -3.935612     -4.389510      9.360527
  H      -1.534353     -3.998361      7.516786
  H       0.076749     -3.220719      5.908907
  H       0.548927     -2.986605      3.453696
  H      -3.052670     -2.959490      0.477204
  H      -4.835099     -3.133351      0.425532
  H      -6.319938     -1.226910      0.885128
  H      -6.551706      1.199501      1.404704
  H      -2.040523     -0.785686      1.274871
  H      -4.132836     -3.540016      4.998440
  H      -5.528953     -6.865717     13.385181
  H      -4.509767     -5.514334     12.845801
  H      -6.259455     -5.259182     13.066213
  H      -6.574988     -4.621675     10.955787
  H      -6.126007     -7.636515      8.814770
  H      -6.638610     -7.550807      6.362457
  H      -8.357755     -3.026454      4.619872
  H      -6.625242     -3.298593      4.654712
  H      -9.187161     -0.743174      4.085967
  H      -8.557437      1.603362      3.498833
  H      -5.102364     -1.378662      5.267217
  H      -7.051281     -3.426643      9.074059
  N      -3.697991      4.420291      1.841092
  H      -3.426957      5.328596      2.224545
  H      -4.647986      4.497764      1.471303
  H      -3.073562      4.161681      1.071326
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543650283906
  N      -2.951677      4.185623      4.674261
  Mo     -3.576905      2.694514      3.341326
  N      -4.308840      1.122403      4.534655
  C      -3.335744      0.284288      5.225667
  C      -2.157767      1.148898      5.588880
  N      -1.723198      1.907998      4.382348
  C      -0.876695      3.074260      4.776537
  C      -1.736799      4.130923      5.451757
  C      -0.941143      1.011842      3.477647
  C      -0.966643      1.586740      2.067870
  N      -2.319957      1.994231      1.742919
  H      -1.190233      5.091709      5.463517
  H      -1.940192      3.872895      6.508413
  H      -0.445799      3.483867      3.853839
  H      -0.052457      2.731162      5.425481
  H      -0.567780      0.844358      1.354123
  H      -0.315314      2.471350      1.994996
  H      -1.430135      0.030050      3.486685
  H       0.081664      0.886272      3.873183
  H      -3.748348     -0.144685      6.152668
  H      -3.023873     -0.580090      4.607098
  H      -2.466460      1.874406      6.351435
  H      -1.313238      0.559586      5.985985
  C     -10.288855      0.547392      6.828389
  C      -9.192215      1.481892      7.296289
  O      -9.391498      2.695330      7.418103
  N      -8.004247      0.858758      7.582395
  C      -6.822040      1.426394      8.073091
  C      -5.710356      0.578352      8.236059
  C      -4.506802      1.083343      8.716906
  C      -4.406640      2.430375      9.043731
  F      -3.195903      2.899287      9.448583
  C      -5.488955      3.305746      8.892875
  C      -5.371642      4.769112      9.183773
  O      -4.696524      5.201879     10.107501
  C      -6.090449      5.718871      8.208991
  C      -5.773881      5.316812      6.790885
  C      -6.777509      4.895677      5.899981
  C      -6.410464      4.250936      4.722574
  N      -5.129823      4.043815      4.395638
  C      -4.143600      4.552753      5.197443
  C      -4.437121      5.199063      6.410966
  C      -6.695656      2.782670      8.400894
  C      -3.310106     -3.506783      9.197979
  C      -3.360813     -3.123625      7.733651
  O      -4.295183     -2.476950      7.258644
  N      -2.299440     -3.579926      6.989436
  C      -2.069728     -3.393564      5.605295
  C      -0.740275     -3.237483      5.175725
  C      -0.472699     -3.096511      3.813805
  C      -1.519195     -3.089663      2.905061
  F      -1.169196     -2.978496      1.587764
  C      -2.869785     -3.223159      3.286748
  C      -4.059442     -3.250281      2.394690
  O      -5.152700     -3.635309      2.835341
  C      -3.992673     -2.689971      0.967439
  C      -4.149868     -1.192835      1.070613
  C      -5.438136     -0.610501      1.062934
  C      -5.571209      0.736541      1.345257
  N      -4.518575      1.543665      1.587816
  C      -3.253139      1.011664      1.505158
  C      -3.048802     -0.365862      1.278572
  C      -3.104100     -3.394796      4.673361
  C      -5.511359     -5.965234     12.752805
  C      -5.681271     -6.408371     11.312637
  O      -5.256520     -7.487340     10.901703
  N      -6.320133     -5.484983     10.514567
  C      -6.562553     -5.531681      9.127700
  C      -6.423834     -6.701509      8.356928
  C      -6.692386     -6.652343      6.989988
  C      -7.076041     -5.459229      6.392638
  F      -7.355617     -5.485913      5.064739
  C      -7.207667     -4.268260      7.125488
  C      -7.532371     -2.924388      6.573848
  O      -7.860782     -2.022889      7.357159
  C      -7.415823     -2.675725      5.083152
  C      -7.161026     -1.235962      4.727736
  C      -8.161508     -0.400214      4.212690
  C      -7.799410      0.903127      3.877703
  N      -6.565558      1.402880      3.981821
  C      -5.581821      0.606138      4.477050
  C      -5.878097     -0.725279      4.878495
  C      -6.956881     -4.347011      8.505690
  H     -10.660746      0.900482      5.857223
  H      -9.962382     -0.495318      6.735804
  H     -11.121634      0.608249      7.543420
  H      -7.957462     -0.150386      7.383715
  H      -5.780471     -0.477210      7.967302
  H      -3.633877      0.438352      8.825369
  H      -5.740701      6.732484      8.448443
  H      -7.176558      5.682941      8.386433
  H      -7.831243      4.972150      6.166700
  H      -7.153193      3.822464      4.052126
  H      -3.632630      5.506539      7.081168
  H      -7.558692      3.426808      8.264177
  H      -2.300598     -3.754842      9.551989
  H      -3.718300     -2.681145      9.793286
  H      -3.956059     -4.383880      9.351099
  H      -1.538146     -4.009877      7.506577
  H       0.076280     -3.231438      5.899842
  H       0.548348     -2.996293      3.444506
  H      -3.053209     -2.953089      0.470716
  H      -4.835551     -3.127702      0.417094
  H      -6.321556     -1.220964      0.877308
  H      -6.553202      1.204845      1.400684
  H      -2.042448     -0.780569      1.269526
  H      -4.134514     -3.535516      4.990337
  H      -5.557614     -6.847492     13.400999
  H      -4.516036     -5.510198     12.870905
  H      -6.265083     -5.232783     13.071861
  H      -6.591648     -4.615142     10.964922
  H      -6.111575     -7.628496      8.829617
  H      -6.611868     -7.548747      6.374516
  H      -8.351483     -3.035194      4.619120
  H      -6.618603     -3.302129      4.657097
  H      -9.184242     -0.753154      4.075459
  H      -8.557060      1.593146      3.485429
  H      -5.101856     -1.379575      5.268794
  H      -7.056032     -3.421976      9.077308
  N      -3.709773      4.421299      1.845695
  H      -3.440469      5.330024      2.229464
  H      -4.661118      4.495475      1.478785
  H      -3.086829      4.165166      1.073951
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543674491107
  N      -2.952628      4.188321      4.667066
  Mo     -3.579192      2.694152      3.338648
  N      -4.312372      1.125386      4.534147
  C      -3.340523      0.288277      5.228505
  C      -2.161500      1.152417      5.589547
  N      -1.726004      1.908468      4.381440
  C      -0.878515      3.074902      4.772962
  C      -1.737544      4.134466      5.444607
  C      -0.943912      1.010754      3.478216
  C      -0.967010      1.584903      2.068116
  N      -2.319750      1.993234      1.741718
  H      -1.189831      5.094618      5.453335
  H      -1.941458      3.880053      6.502031
  H      -0.446414      3.481478      3.849537
  H      -0.055097      2.732690      5.423389
  H      -0.568157      0.841640      1.355310
  H      -0.314660      2.468700      1.995124
  H      -1.434204      0.029809      3.487153
  H       0.078206      0.884065      3.875194
  H      -3.754588     -0.136848      6.156587
  H      -3.029775     -0.578488      4.613006
  H      -2.469365      1.880099      6.350420
  H      -1.317647      0.563069      5.988094
  C     -10.281859      0.548926      6.832783
  C      -9.183164      1.483691      7.295296
  O      -9.380558      2.697858      7.413047
  N      -7.995254      0.860210      7.580881
  C      -6.813034      1.427768      8.071599
  C      -5.701295      0.579769      8.235095
  C      -4.497777      1.085079      8.715808
  C      -4.397676      2.432234      9.042224
  F      -3.187061      2.901240      9.447130
  C      -5.480169      3.307432      8.891263
  C      -5.363569      4.770856      9.181765
  O      -4.689042      5.204382     10.105577
  C      -6.084321      5.720393      8.207991
  C      -5.770974      5.318808      6.789165
  C      -6.776229      4.895718      5.900988
  C      -6.411528      4.249740      4.723634
  N      -5.131343      4.043268      4.394152
  C      -4.143897      4.554935      5.192568
  C      -4.435014      5.202484      6.405967
  C      -6.686739      2.784068      8.399216
  C      -3.319782     -3.487574      9.205576
  C      -3.370327     -3.116130      7.738192
  O      -4.309767     -2.481329      7.256926
  N      -2.303823     -3.568412      6.999129
  C      -2.072310     -3.387508      5.614686
  C      -0.742428     -3.229726      5.187016
  C      -0.472910     -3.090984      3.825256
  C      -1.517937     -3.087856      2.914863
  F      -1.166396     -2.976454      1.597972
  C      -2.868848     -3.223757      3.294510
  C      -4.056868     -3.253107      2.400674
  O      -5.150358     -3.639732      2.839575
  C      -3.988102     -2.694391      0.972845
  C      -4.146718     -1.197240      1.074450
  C      -5.435681     -0.616411      1.065725
  C      -5.570147      0.730707      1.346535
  N      -4.518516      1.539726      1.587003
  C      -3.252405      1.009302      1.505629
  C      -3.046684     -0.368789      1.282082
  C      -3.105171     -3.393572      4.681049
  C      -5.508622     -5.985211     12.743606
  C      -5.678565     -6.421212     11.301337
  O      -5.247992     -7.495667     10.884713
  N      -6.324622     -5.498237     10.508677
  C      -6.565919     -5.540126      9.121298
  C      -6.430457     -6.708596      8.347910
  C      -6.698519     -6.655314      6.981110
  C      -7.078950     -5.459652      6.386687
  F      -7.358230     -5.482765      5.058653
  C      -7.207683     -4.270006      7.122247
  C      -7.528480     -2.923886      6.573932
  O      -7.854320     -2.023299      7.359348
  C      -7.416083     -2.673595      5.083413
  C      -7.163277     -1.233656      4.728002
  C      -8.163895     -0.399169      4.211188
  C      -7.802537      0.904162      3.875039
  N      -6.568998      1.404814      3.979373
  C      -5.585445      0.609192      4.476742
  C      -5.881175     -0.721566      4.880002
  C      -6.957044     -4.352955      8.502347
  H     -10.669270      0.909975      5.870804
  H      -9.951944     -0.491278      6.726036
  H     -11.104638      0.598230      7.560395
  H      -7.949592     -0.149616      7.385147
  H      -5.771975     -0.475875      7.966656
  H      -3.624837      0.440075      8.824789
  H      -5.733844      6.733877      8.446901
  H      -7.170034      5.684522      8.388038
  H      -7.829379      4.970849      6.170343
  H      -7.155232      3.818985      4.055733
  H      -3.629258      5.511683      7.073815
  H      -7.550007      3.427920      8.263016
  H      -2.312892     -3.745649      9.559629
  H      -3.715424     -2.651264      9.794697
  H      -3.977447     -4.354140      9.368278
  H      -1.540363     -3.989295      7.520495
  H       0.072904     -3.220172      5.912475
  H       0.548460     -2.988962      3.457368
  H      -3.047701     -2.957225      0.477765
  H      -4.829712     -3.133434      0.421613
  H      -6.318396     -1.228025      0.880569
  H      -6.552741      1.198039      1.400729
  H      -2.039910     -0.782517      1.274312
  H      -4.135784     -3.535808      4.996887
  H      -5.584170     -6.867260     13.389661
  H      -4.501152     -5.560253     12.869749
  H      -6.243340     -5.232615     13.059785
  H      -6.598592     -4.631047     10.962533
  H      -6.121014     -7.637649      8.818399
  H      -6.620786     -7.550287      6.363216
  H      -8.351628     -3.034865      4.620588
  H      -6.618668     -3.298597      4.655293
  H      -9.186186     -0.752984      4.073052
  H      -8.560454      1.592977      3.481239
  H      -5.104844     -1.374752      5.272081
  H      -7.054034     -3.429045      9.076171
  N      -3.722855      4.416809      1.839173
  H      -3.462600      5.328328      2.222447
  H      -4.673921      4.480946      1.469819
  H      -3.095557      4.164702      1.069638
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543700870391
  N      -2.954070      4.189038      4.662192
  Mo     -3.582427      2.691744      3.339143
  N      -4.318958      1.126467      4.533508
  C      -3.349786      0.289380      5.232841
  C      -2.169943      1.152419      5.594910
  N      -1.731514      1.905120      4.386025
  C      -0.882167      3.070933      4.775429
  C      -1.739642      4.135080      5.441334
  C      -0.949670      1.004913      3.485198
  C      -0.968314      1.579269      2.074807
  N      -2.319768      1.990099      1.745409
  H      -1.189687      5.093955      5.447016
  H      -1.945904      3.885395      6.499383
  H      -0.446663      3.473281      3.851791
  H      -0.061157      2.729133      5.429122
  H      -0.569864      0.834940      1.362936
  H      -0.313727      2.461476      2.002824
  H      -1.442652      0.025456      3.493147
  H       0.071065      0.875639      3.884846
  H      -3.767395     -0.132701      6.160691
  H      -3.038805     -0.579490      4.620309
  H      -2.477697      1.882244      6.353824
  H      -1.327957      0.562094      5.996055
  C     -10.271553      0.549769      6.832927
  C      -9.170854      1.486156      7.287251
  O      -9.366658      2.701037      7.400097
  N      -7.984135      0.862548      7.576723
  C      -6.803801      1.430495      8.070935
  C      -5.692493      0.582702      8.238688
  C      -4.490409      1.088621      8.722038
  C      -4.391307      2.436141      9.047195
  F      -3.181795      2.905536      9.454514
  C      -5.473598      3.311144      8.892415
  C      -5.358064      4.774867      9.181325
  O      -4.685451      5.209945     10.105854
  C      -6.079611      5.723811      8.207186
  C      -5.768971      5.321079      6.788287
  C      -6.775490      4.896617      5.902357
  C      -6.412933      4.248515      4.725630
  N      -5.133116      4.041607      4.394645
  C      -4.144811      4.555660      5.189865
  C      -4.433598      5.204521      6.402925
  C      -6.678765      2.787044      8.397614
  C      -3.317351     -3.461134      9.213018
  C      -3.370174     -3.105015      7.741848
  O      -4.315019     -2.482299      7.255372
  N      -2.298354     -3.550661      7.007082
  C      -2.066741     -3.375293      5.622335
  C      -0.736495     -3.219730      5.194639
  C      -0.466499     -3.085072      3.832503
  C      -1.511261     -3.085110      2.921772
  F      -1.159956     -2.976505      1.604569
  C      -2.862157     -3.221141      3.301443
  C      -4.049497     -3.255556      2.407837
  O      -5.142760     -3.642130      2.847831
  C      -3.982703     -2.700396      0.978804
  C      -4.143443     -1.203340      1.078806
  C      -5.432932     -0.623852      1.065553
  C      -5.569148      0.723438      1.344373
  N      -4.518964      1.534000      1.585970
  C      -3.251845      1.005005      1.509113
  C      -3.044771     -0.373697      1.288985
  C      -3.099301     -3.384724      4.688506
  C      -5.491198     -6.002467     12.727276
  C      -5.668070     -6.429775     11.283363
  O      -5.234711     -7.500189     10.859313
  N      -6.325552     -5.507535     10.499324
  C      -6.574128     -5.546325      9.112762
  C      -6.451881     -6.715738      8.338592
  C      -6.726264     -6.659845      6.973225
  C      -7.101154     -5.461062      6.381414
  F      -7.385418     -5.481299      5.054314
  C      -7.218139     -4.270881      7.117910
  C      -7.531213     -2.922319      6.571669
  O      -7.842979     -2.018454      7.359121
  C      -7.421933     -2.672665      5.081047
  C      -7.169386     -1.233361      4.723786
  C      -8.169563     -0.399548      4.204959
  C      -7.808328      0.903576      3.867702
  N      -6.574931      1.404618      3.973117
  C      -5.592244      0.609777      4.473095
  C      -5.887955     -0.720413      4.877456
  C      -6.960400     -4.356314      8.496720
  H     -10.682049      0.921807      5.885029
  H      -9.935728     -0.486191      6.705572
  H     -11.079242      0.580876      7.578576
  H      -7.938952     -0.148409      7.386321
  H      -5.763361     -0.473045      7.970866
  H      -3.617973      0.443483      8.834131
  H      -5.727290      6.736949      8.444824
  H      -7.165029      5.689436      8.389288
  H      -7.828198      4.971964      6.173382
  H      -7.157515      3.815895      4.059916
  H      -3.626799      5.514935      7.068895
  H      -7.541841      3.430685      8.258696
  H      -2.315538     -3.741981      9.563748
  H      -3.685567     -2.607046      9.794927
  H      -3.998066     -4.306550      9.391041
  H      -1.531021     -3.960048      7.531851
  H       0.078658     -3.208244      5.920300
  H       0.554926     -2.984050      3.464500
  H      -3.042915     -2.962810      0.482213
  H      -4.824602     -3.141600      0.429751
  H      -6.314608     -1.236395      0.878583
  H      -6.552491      1.189539      1.395794
  H      -2.037593     -0.786507      1.284957
  H      -4.130063     -3.524577      5.004842
  H      -5.623926     -6.878825     13.372517
  H      -4.461276     -5.639608     12.863886
  H      -6.183859     -5.209038     13.037902
  H      -6.597866     -4.642019     10.957140
  H      -6.146345     -7.647103      8.807001
  H      -6.658005     -7.554677      6.354009
  H      -8.357320     -3.035441      4.619098
  H      -6.624590     -3.297782      4.652423
  H      -9.191685     -0.753519      4.065839
  H      -8.566212      1.591702      3.472752
  H      -5.112254     -1.372446      5.272263
  H      -7.047219     -3.431805      9.071170
  N      -3.736533      4.408256      1.832732
  H      -3.492424      5.324146      2.216075
  H      -4.685663      4.456429      1.456195
  H      -3.100291      4.163687      1.068215
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543719128228
  N      -2.953101      4.189278      4.660397
  Mo     -3.581765      2.690105      3.339675
  N      -4.320787      1.126773      4.533670
  C      -3.352811      0.289435      5.234618
  C      -2.173106      1.151766      5.598432
  N      -1.732161      1.903206      4.389907
  C      -0.882443      3.068552      4.779587
  C      -1.739879      4.134981      5.441812
  C      -0.949309      1.002122      3.490700
  C      -0.965613      1.576237      2.080087
  N      -2.316443      1.987786      1.749086
  H      -1.188779      5.093172      5.446757
  H      -1.948573      3.887367      6.499834
  H      -0.443924      3.468941      3.856546
  H      -0.063495      2.726698      5.435837
  H      -0.566699      0.831546      1.368867
  H      -0.310463      2.458053      2.008858
  H      -1.442652      0.022725      3.498178
  H       0.070730      0.872829      3.892096
  H      -3.772167     -0.131845      6.162053
  H      -3.040995     -0.579492      4.622903
  H      -2.481221      1.882364      6.356484
  H      -1.332641      0.560338      6.001142
  C     -10.278336      0.554096      6.838272
  C      -9.176090      1.489717      7.290451
  O      -9.369298      2.705358      7.399716
  N      -7.990107      0.864815      7.579823
  C      -6.809009      1.431498      8.073282
  C      -5.698600      0.582416      8.240373
  C      -4.495246      1.087164      8.721794
  C      -4.394011      2.434810      9.045845
  F      -3.183196      2.902838      9.450729
  C      -5.475640      3.311002      8.891922
  C      -5.358208      4.774723      9.180175
  O      -4.684615      5.209455     10.104116
  C      -6.078589      5.724136      8.205494
  C      -5.767988      5.321203      6.786686
  C      -6.774622      4.895952      5.901163
  C      -6.412140      4.246414      4.725202
  N      -5.132248      4.039154      4.394639
  C      -4.144062      4.555096      5.188624
  C      -4.432659      5.204731      6.401225
  C      -6.682067      2.788008      8.399102
  C      -3.311303     -3.446248      9.213250
  C      -3.368452     -3.100317      7.739864
  O      -4.321050     -2.491618      7.250538
  N      -2.292284     -3.538165      7.006882
  C      -2.062931     -3.371014      5.620922
  C      -0.732273     -3.222797      5.191346
  C      -0.462573     -3.094409      3.828628
  C      -1.507867     -3.093689      2.918576
  F      -1.157305     -2.991382      1.600678
  C      -2.858887     -3.223860      3.299750
  C      -4.046201     -3.258769      2.406216
  O      -5.139463     -3.644976      2.846717
  C      -3.980372     -2.702188      0.977580
  C      -4.140040     -1.204920      1.078016
  C      -5.429068     -0.624595      1.061571
  C      -5.565014      0.722880      1.339783
  N      -4.515119      1.532805      1.583998
  C      -3.248263      1.003023      1.510315
  C      -3.041424     -0.375889      1.290858
  C      -3.096193     -3.381012      4.687690
  C      -5.486739     -6.011234     12.724073
  C      -5.660268     -6.431315     11.277717
  O      -5.224139     -7.499298     10.850340
  N      -6.319970     -5.508294     10.496531
  C      -6.571362     -5.545643      9.110290
  C      -6.452141     -6.714740      8.335340
  C      -6.729966     -6.658325      6.970701
  C      -7.105804     -5.459022      6.380527
  F      -7.393482     -5.478046      5.054145
  C      -7.220000     -4.269273      7.117925
  C      -7.533582     -2.920192      6.572808
  O      -7.848108     -2.017963      7.360797
  C      -7.425004     -2.670383      5.082161
  C      -7.172818     -1.230993      4.724681
  C      -8.172575     -0.396679      4.205725
  C      -7.810500      0.906135      3.868148
  N      -6.576784      1.406705      3.973256
  C      -5.594655      0.611344      4.473501
  C      -5.891320     -0.718351      4.878750
  C      -6.958352     -4.354969      8.495909
  H     -10.696727      0.930895      5.895826
  H      -9.941538     -0.480553      6.703032
  H     -11.080404      0.578832      7.590353
  H      -7.946076     -0.146302      7.389900
  H      -5.771651     -0.473438      7.973372
  H      -3.623436      0.440964      8.833222
  H      -5.725206      6.736882      8.443260
  H      -7.164057      5.690932      8.387514
  H      -7.827262      4.971358      6.172310
  H      -7.156708      3.812296      4.060400
  H      -3.625841      5.516081      7.066701
  H      -7.544422      3.432813      8.261013
  H      -2.309910     -3.730598      9.562250
  H      -3.671560     -2.585199      9.790135
  H      -3.996961     -4.285607      9.400490
  H      -1.520255     -3.936295      7.533435
  H       0.083710     -3.212349      5.916139
  H       0.559052     -2.999106      3.459665
  H      -3.041189     -2.964837      0.479915
  H      -4.823197     -3.142340      0.429181
  H      -6.310783     -1.236376      0.872310
  H      -6.548270      1.189479      1.388326
  H      -2.034369     -0.788927      1.289178
  H      -4.127249     -3.515543      5.004936
  H      -5.660336     -6.882749     13.366621
  H      -4.445174     -5.689728     12.874197
  H      -6.152633     -5.193002     13.028467
  H      -6.593495     -4.644322     10.956436
  H      -6.145715     -7.646373      8.802634
  H      -6.663631     -7.552804      6.350784
  H      -8.360236     -3.033724      4.620345
  H      -6.627633     -3.295750      4.653755
  H      -9.194922     -0.750036      4.066476
  H      -8.567965      1.594575      3.473008
  H      -5.116212     -1.370870      5.273676
  H      -7.042115     -3.430494      9.070782
  N      -3.740630      4.404108      1.830335
  H      -3.505633      5.322332      2.213729
  H      -4.688556      4.443613      1.449776
  H      -3.099385      4.164653      1.068402
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543739460692
  N      -2.950021      4.185126      4.663037
  Mo     -3.581464      2.686987      3.342161
  N      -4.322211      1.124348      4.534317
  C      -3.355399      0.285673      5.235239
  C      -2.174474      1.146156      5.600038
  N      -1.731772      1.897763      4.392247
  C      -0.880800      3.061632      4.782965
  C      -1.737099      4.129083      5.444993
  C      -0.949662      0.997088      3.491972
  C      -0.966242      1.572790      2.081985
  N      -2.317131      1.985087      1.751902
  H      -1.184904      5.086615      5.450286
  H      -1.946672      3.881340      6.502797
  H      -0.440742      3.461767      3.860560
  H      -0.062958      2.718343      5.439862
  H      -0.567800      0.828791      1.369766
  H      -0.311035      2.454611      2.011739
  H      -1.443056      0.017899      3.498490
  H       0.070510      0.867280      3.892908
  H      -3.775812     -0.135652      6.162220
  H      -3.044301     -0.582969      4.623207
  H      -2.481373      1.876923      6.358433
  H      -1.335448      0.552506      6.002640
  C     -10.286547      0.559470      6.832288
  C      -9.181950      1.491607      7.286001
  O      -9.371009      2.707904      7.394571
  N      -7.998648      0.862545      7.577978
  C      -6.815818      1.425152      8.072101
  C      -5.708156      0.572373      8.238603
  C      -4.503196      1.072900      8.720404
  C      -4.397659      2.419949      9.045792
  F      -3.185333      2.883637      9.451001
  C      -5.476574      3.299706      8.892826
  C      -5.354453      4.762732      9.183666
  O      -4.680309      5.193411     10.109099
  C      -6.072996      5.716387      8.211760
  C      -5.763112      5.316469      6.792034
  C      -6.770558      4.893453      5.906250
  C      -6.409020      4.244012      4.729913
  N      -5.129453      4.034824      4.399429
  C      -4.140449      4.550478      5.192770
  C      -4.428014      5.199233      6.406002
  C      -6.684596      2.780979      8.399287
  C      -3.298448     -3.417069      9.214813
  C      -3.364071     -3.085931      7.738546
  O      -4.328293     -2.498240      7.245924
  N      -2.281189     -3.509899      7.007349
  C      -2.057070     -3.355940      5.619422
  C      -0.727021     -3.214411      5.185152
  C      -0.459900     -3.095450      3.821166
  C      -1.507278     -3.097615      2.913531
  F      -1.160323     -3.002549      1.594198
  C      -2.857347     -3.223165      3.299099
  C      -4.046095     -3.261536      2.407488
  O      -5.137954     -3.648256      2.850917
  C      -3.984229     -2.704536      0.978809
  C      -4.142371     -1.207059      1.080322
  C      -5.431120     -0.626064      1.064785
  C      -5.566362      0.721396      1.343385
  N      -4.516067      1.530968      1.586697
  C      -3.249275      1.000386      1.512995
  C      -3.043263     -0.378726      1.293611
  C      -3.092568     -3.370991      4.688416
  C      -5.489372     -6.006105     12.723954
  C      -5.654147     -6.421124     11.275228
  O      -5.214833     -7.488054     10.848311
  N      -6.311456     -5.497897     10.492450
  C      -6.566021     -5.538354      9.106836
  C      -6.445036     -6.708292      8.333755
  C      -6.726968     -6.656019      6.969799
  C      -7.108252     -5.459063      6.378373
  F      -7.400513     -5.481095      5.053131
  C      -7.223735     -4.268461      7.113960
  C      -7.543197     -2.920881      6.566846
  O      -7.863038     -2.019795      7.353495
  C      -7.428666     -2.671494      5.076607
  C      -7.176216     -1.231706      4.720822
  C      -8.174942     -0.396206      4.201692
  C      -7.811288      0.906423      3.865496
  N      -6.577389      1.406228      3.972341
  C      -5.596435      0.610054      4.473386
  C      -5.894482     -0.720058      4.876781
  C      -6.958256     -4.349855      8.491205
  H     -10.706965      0.941426      5.892932
  H      -9.951195     -0.474918      6.691471
  H     -11.086485      0.581050      7.586787
  H      -7.957542     -0.148268      7.386408
  H      -5.784657     -0.483053      7.970733
  H      -3.633358      0.423921      8.831221
  H      -5.717528      6.727796      8.452228
  H      -7.158526      5.684970      8.393647
  H      -7.823011      4.969712      6.177832
  H      -7.154332      3.810426      4.065580
  H      -3.620722      5.509293      7.071508
  H      -7.544641      3.428921      8.261728
  H      -2.294696     -3.695673      9.561649
  H      -3.657474     -2.550714      9.784714
  H      -3.981549     -4.255663      9.414006
  H      -1.501151     -3.889543      7.535775
  H       0.091060     -3.201437      5.907609
  H       0.561198     -3.004807      3.449610
  H      -3.046878     -2.967669      0.477874
  H      -4.829433     -3.143504      0.433227
  H      -6.313256     -1.237328      0.875755
  H      -6.549576      1.188166      1.392469
  H      -2.036284     -0.792074      1.291358
  H      -4.123284     -3.500591      5.008584
  H      -5.717930     -6.867266     13.363851
  H      -4.436133     -5.738176     12.894850
  H      -6.120281     -5.156506     13.016331
  H      -6.587695     -4.634639     10.951974
  H      -6.133855     -7.637789      8.802198
  H      -6.659105     -7.551597      6.351668
  H      -8.361566     -3.035470      4.610683
  H      -6.628801     -3.296638      4.652607
  H      -9.197362     -0.748537      4.060730
  H      -8.567529      1.595677      3.469374
  H      -5.120226     -1.374402      5.270512
  H      -7.042122     -3.424400      9.064385
  N      -3.741878      4.402608      1.833536
  H      -3.509474      5.321511      2.216873
  H      -4.690140      4.439362      1.453451
  H      -3.100673      4.166199      1.070595
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543756402635
  N      -2.947419      4.178147      4.671221
  Mo     -3.579392      2.683767      3.345551
  N      -4.323451      1.118899      4.532410
  C      -3.358382      0.277518      5.232240
  C      -2.177304      1.135900      5.601797
  N      -1.731571      1.890253      4.396986
  C      -0.879987      3.052072      4.792132
  C      -1.736291      4.118798      5.455610
  C      -0.949590      0.990925      3.495540
  C      -0.964513      1.570153      2.086905
  N      -2.314725      1.984173      1.755773
  H      -1.183212      5.075771      5.464698
  H      -1.948277      3.868146      6.512233
  H      -0.438116      3.454232      3.871471
  H      -0.063579      2.706131      5.449447
  H      -0.565610      0.827809      1.373225
  H      -0.308979      2.452004      2.019930
  H      -1.443520      0.011875      3.499303
  H       0.070242      0.859536      3.896820
  H      -3.780669     -0.146547      6.157164
  H      -3.047101     -0.589473      4.617935
  H      -2.484710      1.864860      6.361679
  H      -1.339850      0.539950      6.004356
  C     -10.295585      0.563114      6.828998
  C      -9.190217      1.493161      7.285058
  O      -9.378020      2.709353      7.396415
  N      -8.008422      0.861822      7.578852
  C      -6.824472      1.422894      8.072081
  C      -5.717128      0.569405      8.236842
  C      -4.511471      1.068887      8.718176
  C      -4.404976      2.415539      9.044749
  F      -3.192074      2.878265      9.449474
  C      -5.483515      3.295936      8.893316
  C      -5.360174      4.758644      9.185476
  O      -4.685270      5.187635     10.111106
  C      -6.076550      5.713307      8.213223
  C      -5.763855      5.313205      6.794014
  C      -6.769921      4.893592      5.905102
  C      -6.406364      4.244573      4.728967
  N      -5.126523      4.032255      4.401829
  C      -4.138383      4.545079      5.198251
  C      -4.428074      5.192998      6.411450
  C      -6.692150      2.778292      8.400392
  C      -3.289701     -3.413643      9.210795
  C      -3.359410     -3.083490      7.734680
  O      -4.328387     -2.502806      7.242949
  N      -2.273707     -3.498582      7.002374
  C      -2.052915     -3.348812      5.613662
  C      -0.723296     -3.212014      5.176329
  C      -0.457938     -3.096950      3.811721
  C      -1.506816     -3.098699      2.905734
  F      -1.162183     -3.007380      1.585605
  C      -2.856246     -3.220355      3.294289
  C      -4.046342     -3.259160      2.403942
  O      -5.136835     -3.648263      2.848284
  C      -3.986391     -2.702210      0.975225
  C      -4.142588     -1.204598      1.077365
  C      -5.430478     -0.621656      1.059766
  C      -5.564411      0.726016      1.338425
  N      -4.513473      1.533715      1.584967
  C      -3.247341      1.000930      1.513742
  C      -3.042724     -0.377997      1.293097
  C      -3.089999     -3.363713      4.684222
  C      -5.480867     -5.993106     12.727178
  C      -5.643463     -6.407971     11.278299
  O      -5.208333     -7.477884     10.854277
  N      -6.294405     -5.483009     10.492486
  C      -6.556618     -5.528694      9.108594
  C      -6.436319     -6.700268      8.338001
  C      -6.725433     -6.653011      6.975289
  C      -7.112163     -5.458627      6.382281
  F      -7.411571     -5.484196      5.058771
  C      -7.226180     -4.266384      7.115284
  C      -7.550189     -2.920702      6.565190
  O      -7.875719     -2.020021      7.349819
  C      -7.434483     -2.673825      5.074243
  C      -7.180444     -1.234209      4.717597
  C      -8.179145     -0.396589      4.201934
  C      -7.813677      0.905508      3.865712
  N      -6.578880      1.403571      3.970742
  C      -5.598032      0.605760      4.469346
  C      -5.897331     -0.724900      4.870734
  C      -6.954498     -4.342664      8.491378
  H     -10.713336      0.946823      5.889126
  H      -9.961711     -0.471705      6.687739
  H     -11.097018      0.585524      7.581831
  H      -7.968064     -0.148209      7.383299
  H      -5.793425     -0.485703      7.968005
  H      -3.641666      0.419664      8.827356
  H      -5.721047      6.724515      8.454518
  H      -7.162433      5.682574      8.392925
  H      -7.822955      4.972576      6.173616
  H      -7.151100      3.813702      4.062258
  H      -3.621894      5.500715      7.079426
  H      -7.551649      3.427139      8.263578
  H      -2.285043     -3.692127      9.555088
  H      -3.647620     -2.547374      9.781583
  H      -3.972230     -4.252258      9.411544
  H      -1.489912     -3.871627      7.529963
  H       0.096286     -3.199650      5.897135
  H       0.562917     -3.009824      3.438662
  H      -3.050119     -2.966192      0.472692
  H      -4.833262     -3.139764      0.431135
  H      -6.313079     -1.231582      0.868560
  H      -6.546960      1.194347      1.385329
  H      -2.036240     -0.792666      1.292093
  H      -4.120625     -3.489339      5.006028
  H      -5.756919     -6.840490     13.367229
  H      -4.419221     -5.773348     12.912656
  H      -6.077471     -5.115473     13.008349
  H      -6.568723     -4.618255     10.950253
  H      -6.119947     -7.627478      8.807534
  H      -6.658105     -7.550487      6.359861
  H      -8.367817     -3.036447      4.608192
  H      -6.634912     -3.300437      4.652437
  H      -9.202526     -0.747040      4.063106
  H      -8.569303      1.596455      3.471283
  H      -5.123591     -1.381114      5.262258
  H      -7.036934     -3.415819      9.062463
  N      -3.731936      4.404116      1.840724
  H      -3.494072      5.321704      2.223998
  H      -4.681136      4.446635      1.463422
  H      -3.094373      4.166297      1.075174
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543767426726
  N      -2.946662      4.174798      4.675034
  Mo     -3.579137      2.682068      3.346918
  N      -4.322186      1.115940      4.533873
  C      -3.356158      0.274016      5.231508
  C      -2.175036      1.132082      5.600535
  N      -1.730291      1.888010      4.396292
  C      -0.878923      3.049573      4.792561
  C      -1.735337      4.114574      5.458763
  C      -0.949054      0.990004      3.493049
  C      -0.965812      1.570450      2.084969
  N      -2.316529      1.983731      1.755120
  H      -1.182669      5.071773      5.469737
  H      -1.946722      3.861522      6.514967
  H      -0.438623      3.453583      3.871934
  H      -0.061459      2.702913      5.448177
  H      -0.566838      0.829098      1.370261
  H      -0.311109      2.452956      2.018336
  H      -1.442343      0.010538      3.496765
  H       0.071490      0.858824      3.892635
  H      -3.776949     -0.151328      6.156598
  H      -3.045638     -0.592231      4.615689
  H      -2.482101      1.860091      6.361457
  H      -1.337118      0.536040      6.002004
  C     -10.295491      0.560404      6.825441
  C      -9.191495      1.490194      7.285253
  O      -9.379149      2.706582      7.394509
  N      -8.010607      0.858547      7.582430
  C      -6.826102      1.419925      8.074079
  C      -5.718503      0.566682      8.237903
  C      -4.512417      1.066455      8.717880
  C      -4.405901      2.413164      9.044213
  F      -3.192681      2.876258      9.447735
  C      -5.484767      3.293247      8.894104
  C      -5.361554      4.755903      9.187301
  O      -4.684610      5.184051     10.111790
  C      -6.077601      5.710798      8.215249
  C      -5.764023      5.310697      6.796078
  C      -6.769817      4.891772      5.906448
  C      -6.405610      4.243329      4.730143
  N      -5.125714      4.030708      4.403591
  C      -4.137641      4.542401      5.201041
  C      -4.428105      5.190074      6.414293
  C      -6.693670      2.775416      8.402136
  C      -3.287436     -3.408975      9.208210
  C      -3.358104     -3.078942      7.732202
  O      -4.328567     -2.501212      7.240175
  N      -2.271450     -3.492186      6.999938
  C      -2.051038     -3.344017      5.610958
  C      -0.721865     -3.205413      5.173011
  C      -0.456957     -3.091724      3.808197
  C      -1.506026     -3.096438      2.902353
  F      -1.161617     -3.007025      1.582074
  C      -2.855052     -3.219574      3.291596
  C      -4.046080     -3.260237      2.402043
  O      -5.135823     -3.648958      2.848024
  C      -3.987877     -2.702277      0.973716
  C      -4.144338     -1.204846      1.077230
  C      -5.432471     -0.622308      1.062043
  C      -5.566663      0.725163      1.341512
  N      -4.515477      1.533133      1.586962
  C      -3.249232      1.000490      1.513859
  C      -3.044430     -0.378109      1.291878
  C      -3.088211     -3.361731      4.681595
  C      -5.483955     -5.985034     12.729787
  C      -5.646237     -6.402388     11.281638
  O      -5.217932     -7.476752     10.861716
  N      -6.289622     -5.475532     10.491993
  C      -6.554713     -5.524673      9.108929
  C      -6.432459     -6.696844      8.339494
  C      -6.723399     -6.651945      6.977026
  C      -7.113091     -5.459155      6.382838
  F      -7.413899     -5.486623      5.059710
  C      -7.228771     -4.266335      7.114633
  C      -7.555776     -2.922144      6.562872
  O      -7.884734     -2.021595      7.346280
  C      -7.437122     -2.675245      5.071946
  C      -7.181111     -1.235422      4.716806
  C      -8.178871     -0.396476      4.201598
  C      -7.812074      0.905617      3.866805
  N      -6.577096      1.402545      3.973028
  C      -5.596899      0.603575      4.471335
  C      -5.897400     -0.727511      4.870770
  C      -6.955849     -4.340253      8.490479
  H     -10.704560      0.940401      5.880121
  H      -9.963200     -0.475938      6.691732
  H     -11.103040      0.589113      7.571377
  H      -7.970355     -0.151318      7.386403
  H      -5.793906     -0.488552      7.969313
  H      -3.642241      0.417582      8.826095
  H      -5.722915      6.722224      8.456790
  H      -7.163587      5.679466      8.394174
  H      -7.822999      4.971045      6.174297
  H      -7.150221      3.813247      4.062742
  H      -3.622195      5.497138      7.082928
  H      -7.553411      3.424051      8.265884
  H      -2.282109     -3.684996      9.552432
  H      -3.648364     -2.544560      9.779820
  H      -3.967568     -4.249793      9.407956
  H      -1.487222     -3.864042      7.527717
  H       0.097874     -3.190489      5.893606
  H       0.563772     -3.003449      3.435069
  H      -3.051955     -2.965811      0.470388
  H      -4.835156     -3.139502      0.429971
  H      -6.315088     -1.232602      0.872034
  H      -6.549283      1.193147      1.390390
  H      -2.037806     -0.792463      1.288609
  H      -4.118598     -3.488504      5.003491
  H      -5.788442     -6.821704     13.371287
  H      -4.418377     -5.793826     12.923063
  H      -6.058841     -5.090447     13.002650
  H      -6.561710     -4.608939     10.947611
  H      -6.113154     -7.622701      8.809731
  H      -6.654656     -7.550318      6.363057
  H      -8.370919     -3.035455      4.604968
  H      -6.637959     -3.302663      4.650934
  H      -9.202406     -0.745964      4.061830
  H      -8.566797      1.597687      3.472585
  H      -5.124293     -1.385038      5.261365
  H      -7.040025     -3.413043      9.060747
  N      -3.727927      4.406093      1.846053
  H      -3.482107      5.321929      2.228601
  H      -4.679038      4.455877      1.474383
  H      -3.096086      4.165209      1.076685
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543780980056
  N      -2.946451      4.173400      4.679201
  Mo     -3.578168      2.682164      3.348321
  N      -4.319951      1.113475      4.534263
  C      -3.353212      0.271237      5.230007
  C      -2.172499      1.129699      5.599478
  N      -1.728766      1.887884      4.396205
  C      -0.878179      3.049656      4.793819
  C      -1.735251      4.112488      5.462622
  C      -0.947619      0.991261      3.491588
  C      -0.965713      1.572058      2.083800
  N      -2.316681      1.984859      1.754748
  H      -1.183184      5.070036      5.475908
  H      -1.946328      3.856883      6.518326
  H      -0.439613      3.455784      3.873269
  H      -0.059543      2.702584      5.447728
  H      -0.566504      0.831302      1.368588
  H      -0.311469      2.454951      2.017130
  H      -1.440143      0.011476      3.495567
  H       0.073509      0.860397      3.889851
  H      -3.772957     -0.155697      6.154897
  H      -3.042982     -0.594254      4.612854
  H      -2.480056      1.856186      6.361662
  H      -1.333726      0.534147      5.999973
  C     -10.299418      0.561943      6.822484
  C      -9.194801      1.490770      7.282788
  O      -9.382355      2.706964      7.394078
  N      -8.014621      0.858033      7.580994
  C      -6.829346      1.418718      8.071784
  C      -5.721364      0.565586      8.232999
  C      -4.515055      1.064894      8.713082
  C      -4.408633      2.411103      9.041506
  F      -3.195174      2.874097      9.444671
  C      -5.487644      3.291176      8.893474
  C      -5.364202      4.753719      9.187577
  O      -4.687735      5.181044     10.112781
  C      -6.080936      5.708687      8.216373
  C      -5.765986      5.309382      6.797166
  C      -6.770939      4.890311      5.906629
  C      -6.405463      4.242923      4.730146
  N      -5.125255      4.031191      4.404271
  C      -4.137774      4.541822      5.203338
  C      -4.429720      5.189298      6.416472
  C      -6.696917      2.773728      8.402064
  C      -3.284803     -3.416468      9.204778
  C      -3.356109     -3.084125      7.729309
  O      -4.324536     -2.501582      7.239243
  N      -2.271757     -3.500836      6.995333
  C      -2.051667     -3.349161      5.606519
  C      -0.723211     -3.206757      5.168072
  C      -0.459451     -3.090026      3.803287
  C      -1.509131     -3.094889      2.898088
  F      -1.165448     -3.002965      1.577811
  C      -2.857685     -3.220425      3.287984
  C      -4.050144     -3.258347      2.399615
  O      -5.139460     -3.647774      2.845506
  C      -3.991295     -2.699289      0.971726
  C      -4.146842     -1.201908      1.076282
  C      -5.434678     -0.618608      1.063202
  C      -5.567850      0.728733      1.343683
  N      -4.515748      1.535859      1.588591
  C      -3.250020      1.002468      1.513538
  C      -3.046130     -0.375978      1.289835
  C      -3.089421     -3.366508      4.677732
  C      -5.489451     -5.976174     12.737490
  C      -5.650219     -6.396509     11.290043
  O      -5.227981     -7.475290     10.875157
  N      -6.285303     -5.468315     10.495432
  C      -6.549019     -5.520468      9.112335
  C      -6.421182     -6.692675      8.343670
  C      -6.710226     -6.649272      6.980688
  C      -7.103084     -5.458251      6.385138
  F      -7.401333     -5.487341      5.061446
  C      -7.224605     -4.265469      7.116151
  C      -7.556161     -2.923419      6.563004
  O      -7.888904     -2.022954      7.345169
  C      -7.436799     -2.676579      5.071915
  C      -7.179434     -1.236783      4.717536
  C      -8.176971     -0.397391      4.202973
  C      -7.810010      0.904973      3.868947
  N      -6.574911      1.401278      3.975090
  C      -5.594594      0.601498      4.472251
  C      -5.895374     -0.729593      4.871095
  C      -6.953596     -4.337927      8.492439
  H     -10.702538      0.938270      5.873092
  H      -9.969738     -0.476042      6.695241
  H     -11.110712      0.597434      7.563963
  H      -7.975007     -0.151547      7.383356
  H      -5.795708     -0.489287      7.962758
  H      -3.644500      0.416255      8.819581
  H      -5.728348      6.720640      8.458745
  H      -7.167027      5.675270      8.394329
  H      -7.824389      4.968553      6.173747
  H      -7.149400      3.813188      4.061758
  H      -3.624434      5.496024      7.086051
  H      -7.557070      3.422154      8.267358
  H      -2.280913     -3.699704      9.547130
  H      -3.639993     -2.551483      9.779080
  H      -3.970139     -4.253370      9.403621
  H      -1.489382     -3.878305      7.521856
  H       0.096844     -3.191292      5.888285
  H       0.560930     -2.999181      3.429839
  H      -3.055063     -2.963263      0.469215
  H      -4.838311     -3.135629      0.426819
  H      -6.317794     -1.228459      0.874066
  H      -6.549929      1.197629      1.393996
  H      -2.039835     -0.791112      1.284701
  H      -4.119381     -3.496103      4.999952
  H      -5.832488     -6.797177     13.380097
  H      -4.419848     -5.824115     12.941814
  H      -6.033793     -5.059451     12.999241
  H      -6.556583     -4.600024     10.948249
  H      -6.099386     -7.617207      8.814819
  H      -6.637490     -7.548004      6.367690
  H      -8.371770     -3.034757      4.605662
  H      -6.638536     -3.304518      4.650135
  H      -9.200606     -0.746658      4.063433
  H      -8.564712      1.597593      3.475597
  H      -5.122258     -1.387356      5.261409
  H      -7.043351     -3.411032      9.062454
  N      -3.722276      4.408432      1.850209
  H      -3.471749      5.323026      2.232795
  H      -4.674087      4.463221      1.480974
  H      -3.093122      4.165611      1.079247
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543791696062
  N      -2.948060      4.174912      4.677561
  Mo     -3.579002      2.683566      3.346384
  N      -4.319410      1.114334      4.533748
  C      -3.351781      0.273303      5.229644
  C      -2.171170      1.132727      5.597274
  N      -1.728927      1.890610      4.393273
  C      -0.878817      3.053253      4.789676
  C      -1.736104      4.115213      5.459528
  C      -0.947878      0.993829      3.488741
  C      -0.966957      1.573185      2.080443
  N      -2.318098      1.985292      1.751771
  H      -1.184724      5.073205      5.472366
  H      -1.945736      3.859558      6.515556
  H      -0.442261      3.459717      3.868289
  H      -0.058767      2.707050      5.442256
  H      -0.567946      0.831697      1.365848
  H      -0.312745      2.456020      2.012219
  H      -1.440062      0.013867      3.494103
  H       0.073627      0.863469      3.886248
  H      -3.770475     -0.152710      6.155445
  H      -3.042056     -0.592928      4.613148
  H      -2.478929      1.859375      6.359234
  H      -1.331352      0.538628      5.997752
  C     -10.293758      0.557654      6.824561
  C      -9.190682      1.488357      7.284724
  O      -9.379615      2.704572      7.393482
  N      -8.009591      0.857617      7.583500
  C      -6.824976      1.420822      8.072973
  C      -5.715195      0.570026      8.234034
  C      -4.509687      1.072042      8.713373
  C      -4.405777      2.418682      9.040627
  F      -3.193031      2.884362      9.442947
  C      -5.486476      3.296600      8.892402
  C      -5.365667      4.759725      9.184723
  O      -4.689154      5.189355     10.108837
  C      -6.084130      5.712195      8.212415
  C      -5.768571      5.311745      6.793593
  C      -6.772946      4.891547      5.903047
  C      -6.406887      4.244215      4.726747
  N      -5.126448      4.033442      4.401035
  C      -4.139414      4.544134      5.200683
  C      -4.432134      5.192304      6.413311
  C      -6.695054      2.776322      8.402304
  C      -3.283253     -3.410321      9.205881
  C      -3.356198     -3.082596      7.729306
  O      -4.326666     -2.504606      7.238209
  N      -2.270916     -3.498485      6.996177
  C      -2.050231     -3.346845      5.607439
  C      -0.722076     -3.200938      5.169446
  C      -0.458338     -3.084280      3.804645
  C      -1.507764     -3.092130      2.899130
  F      -1.163718     -3.000644      1.578908
  C      -2.856155     -3.220118      3.288644
  C      -4.049201     -3.258783      2.400842
  O      -5.138183     -3.648237      2.847154
  C      -3.990337     -2.699765      0.973011
  C      -4.147272     -1.202589      1.077641
  C      -5.435452     -0.619976      1.064358
  C      -5.569273      0.727394      1.344159
  N      -4.517456      1.535328      1.588191
  C      -3.251503      1.002611      1.512821
  C      -3.047012     -0.376002      1.290459
  C      -3.087640     -3.366752      4.678313
  C      -5.496218     -5.994949     12.738949
  C      -5.662779     -6.413180     11.291521
  O      -5.257991     -7.499408     10.878605
  N      -6.284379     -5.477034     10.495722
  C      -6.550821     -5.527741      9.113117
  C      -6.429256     -6.700004      8.343299
  C      -6.719617     -6.653668      6.980712
  C      -7.107628     -5.460381      6.386604
  F      -7.407535     -5.487422      5.063202
  C      -7.223357     -4.267572      7.118732
  C      -7.550580     -2.924207      6.567408
  O      -7.878802     -2.022918      7.350758
  C      -7.435165     -2.676554      5.076074
  C      -7.177701     -1.237004      4.721004
  C      -8.175926     -0.398483      4.206517
  C      -7.810115      0.904140      3.871759
  N      -6.575150      1.400886      3.976673
  C      -5.593864      0.601588      4.472984
  C      -5.893758     -0.729207      4.873111
  C      -6.951211     -4.343047      8.494734
  H     -10.692041      0.928545      5.870965
  H      -9.964271     -0.481261      6.704697
  H     -11.108609      0.598380      7.561811
  H      -7.968789     -0.152357      7.387785
  H      -5.787464     -0.485080      7.964328
  H      -3.637809      0.425263      8.820230
  H      -5.733667      6.725157      8.453579
  H      -7.170186      5.676746      8.390252
  H      -7.826535      4.969123      6.169825
  H      -7.150287      3.814269      4.057944
  H      -3.627150      5.499710      7.082946
  H      -7.556839      3.422575      8.267637
  H      -2.279316     -3.692984      9.548421
  H      -3.637727     -2.543670      9.778146
  H      -3.969060     -4.246140      9.408124
  H      -1.488646     -3.874572      7.523830
  H       0.097617     -3.182924      5.889999
  H       0.561943     -2.991236      3.431464
  H      -3.053554     -2.963080      0.471187
  H      -4.836355     -3.136997      0.427215
  H      -6.318196     -1.230493      0.875626
  H      -6.551404      1.196121      1.394256
  H      -2.040542     -0.790689      1.285223
  H      -4.117292     -3.498802      5.000497
  H      -5.891947     -6.792797     13.380868
  H      -4.422223     -5.902799     12.954574
  H      -5.991694     -5.048532     12.991765
  H      -6.545133     -4.605131     10.947705
  H      -6.111776     -7.626582      8.813321
  H      -6.652127     -7.552301      6.366957
  H      -8.371973     -3.033711      4.612691
  H      -6.638706     -3.304604      4.651145
  H      -9.199461     -0.748542      4.067955
  H      -8.565769      1.596202      3.479252
  H      -5.119989     -1.385945      5.263787
  H      -7.037150     -3.416408      9.065843
  N      -3.718923      4.410076      1.848541
  H      -3.467963      5.324256      2.231826
  H      -4.670144      4.466190      1.478013
  H      -3.088777      4.166378      1.078683
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543801623254
  N      -2.949703      4.178666      4.674223
  Mo     -3.578859      2.685752      3.344237
  N      -4.317212      1.116671      4.534018
  C      -3.348455      0.277628      5.230710
  C      -2.168597      1.139005      5.596391
  N      -1.727937      1.895653      4.390995
  C      -0.878888      3.059858      4.785397
  C      -1.737018      4.121329      5.455055
  C      -0.946442      0.997837      3.487714
  C      -0.966900      1.573847      2.078105
  N      -2.318254      1.985073      1.749755
  H      -1.186752      5.080014      5.466540
  H      -1.945213      3.866591      6.511610
  H      -0.443793      3.465881      3.863101
  H      -0.057712      2.715451      5.437509
  H      -0.568231      0.830731      1.364976
  H      -0.312723      2.456530      2.007151
  H      -1.437873      0.017542      3.495627
  H       0.075382      0.869074      3.884916
  H      -3.766102     -0.147340      6.157467
  H      -3.037969     -0.589289      4.615515
  H      -2.477097      1.866375      6.357370
  H      -1.327613      0.546921      5.997349
  C     -10.290893      0.553119      6.828014
  C      -9.188743      1.486071      7.285934
  O      -9.379350      2.702162      7.393261
  N      -8.006306      0.857646      7.583894
  C      -6.822518      1.423156      8.072529
  C      -5.711366      0.574191      8.233803
  C      -4.506577      1.078450      8.712590
  C      -4.404766      2.425452      9.038925
  F      -3.192644      2.893227      9.440704
  C      -5.486844      3.301684      8.890219
  C      -5.367941      4.765356      9.180295
  O      -4.692326      5.197466     10.103948
  C      -6.088197      5.715374      8.206969
  C      -5.771870      5.314163      6.788569
  C      -6.775429      4.891484      5.898326
  C      -6.408464      4.244023      4.722425
  N      -5.127590      4.035432      4.396831
  C      -4.141398      4.547525      5.196730
  C      -4.435145      5.196444      6.408669
  C      -6.694712      2.779151      8.400761
  C      -3.280965     -3.409504      9.208131
  C      -3.355727     -3.084080      7.730987
  O      -4.326844     -2.506348      7.240980
  N      -2.271345     -3.500566      6.997038
  C      -2.051271     -3.347962      5.608320
  C      -0.723257     -3.201283      5.170071
  C      -0.460128     -3.083724      3.805243
  C      -1.509836     -3.091529      2.900074
  F      -1.166120     -2.999243      1.579792
  C      -2.858130     -3.220091      3.289799
  C      -4.051770     -3.258477      2.402843
  O      -5.140807     -3.646749      2.850014
  C      -3.993330     -2.699617      0.974914
  C      -4.149562     -1.202296      1.078989
  C      -5.437388     -0.618932      1.066024
  C      -5.570195      0.728601      1.345429
  N      -4.517807      1.536067      1.588489
  C      -3.252229      1.002754      1.512393
  C      -3.048679     -0.376250      1.290938
  C      -3.088970     -3.367665      4.679538
  C      -5.505216     -6.015262     12.741523
  C      -5.672897     -6.429389     11.293040
  O      -5.285116     -7.522759     10.882582
  N      -6.279260     -5.484965     10.495431
  C      -6.548332     -5.534164      9.113198
  C      -6.432509     -6.706195      8.341979
  C      -6.724217     -6.656822      6.979793
  C      -7.108329     -5.461399      6.387530
  F      -7.409442     -5.485965      5.064293
  C      -7.218910     -4.268930      7.121058
  C      -7.543098     -2.924266      6.572015
  O      -7.867884     -2.022915      7.356751
  C      -7.430900     -2.675583      5.080719
  C      -7.173762     -1.236236      4.725078
  C      -8.172633     -0.398796      4.209990
  C      -7.808151      0.904063      3.874548
  N      -6.573449      1.401584      3.978872
  C      -5.591449      0.603081      4.475092
  C      -5.890306     -0.727379      4.876760
  C      -6.945180     -4.347393      8.496634
  H     -10.685892      0.917797      5.870660
  H      -9.961609     -0.486711      6.715721
  H     -11.108073      0.599135      7.562337
  H      -7.964124     -0.152789      7.390606
  H      -5.782654     -0.481161      7.964663
  H      -3.633684      0.433113      8.820023
  H      -5.739778      6.729250      8.447214
  H      -7.174238      5.677806      8.384555
  H      -7.829154      4.967237      6.165118
  H      -7.150990      3.812525      4.053657
  H      -3.630681      5.505383      7.078209
  H      -7.557749      3.423710      8.265687
  H      -2.278320     -3.698623      9.549056
  H      -3.627431     -2.538830      9.779338
  H      -3.972721     -4.239442      9.414503
  H      -1.489012     -3.876742      7.524514
  H       0.096596     -3.183350      5.890431
  H       0.559961     -2.990121      3.431680
  H      -3.056854     -2.963520      0.472834
  H      -4.839435     -3.136895      0.429253
  H      -6.320560     -1.229011      0.877924
  H      -6.551964      1.198016      1.395997
  H      -2.042473     -0.791550      1.285787
  H      -4.118350     -3.500577      5.002167
  H      -5.972680     -6.777647     13.378951
  H      -4.432000     -6.004547     12.977935
  H      -5.933487     -5.033495     12.981668
  H      -6.529083     -4.609329     10.946321
  H      -6.118698     -7.634608      8.810759
  H      -6.661087     -7.554922      6.364785
  H      -8.369006     -3.032349      4.619623
  H      -6.635819     -3.303708      4.653116
  H      -9.195917     -0.749855      4.072004
  H      -8.564735      1.595284      3.482394
  H      -5.115867     -1.382949      5.267966
  H      -7.027217     -3.420990      9.068732
  N      -3.715431      4.411007      1.845033
  H      -3.468971      5.325736      2.229877
  H      -4.664827      4.464369      1.469436
  H      -3.080800      4.168904      1.078395
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543809858007
  N      -2.952500      4.182556      4.670185
  Mo     -3.580280      2.689357      3.340491
  N      -4.314797      1.119374      4.532224
  C      -3.343917      0.282059      5.227917
  C      -2.164698      1.145567      5.591207
  N      -1.727199      1.902222      4.384522
  C      -0.879352      3.067968      4.777109
  C      -1.738106      4.128074      5.448418
  C      -0.945607      1.004598      3.480961
  C      -0.968912      1.578915      2.070743
  N      -2.321132      1.988501      1.744150
  H      -1.189709      5.087863      5.458088
  H      -1.943130      3.873551      6.505641
  H      -0.446593      3.474577      3.853965
  H      -0.056387      2.725147      5.427828
  H      -0.570626      0.835225      1.357972
  H      -0.315663      2.462122      1.997651
  H      -1.435782      0.023687      3.490402
  H       0.076840      0.877635      3.877124
  H      -3.759588     -0.142869      6.155591
  H      -3.032811     -0.584790      4.612934
  H      -2.473118      1.872870      6.352248
  H      -1.321965      0.555149      5.990854
  C     -10.286501      0.546845      6.837380
  C      -9.185336      1.481831      7.293569
  O      -9.378738      2.697291      7.403152
  N      -8.000252      0.856271      7.586722
  C      -6.816988      1.424129      8.073807
  C      -5.704193      0.577101      8.234315
  C      -4.499908      1.083679      8.711933
  C      -4.400213      2.430936      9.037855
  F      -3.188652      2.900834      9.438789
  C      -5.483904      3.305319      8.889473
  C      -5.367277      4.769346      9.178022
  O      -4.691859      5.203857     10.100746
  C      -6.090157      5.717077      8.204409
  C      -5.774472      5.315311      6.786074
  C      -6.777997      4.890910      5.896647
  C      -6.411062      4.243871      4.720470
  N      -5.130126      4.037248      4.393784
  C      -4.144094      4.550271      5.193516
  C      -4.437812      5.199059      6.405453
  C      -6.691224      2.780516      8.401141
  C      -3.276439     -3.413765      9.206532
  C      -3.352255     -3.087272      7.729606
  O      -4.324087     -2.509463      7.240895
  N      -2.268409     -3.502940      6.994572
  C      -2.049242     -3.348800      5.605922
  C      -0.721363     -3.201531      5.167244
  C      -0.458960     -3.082377      3.802449
  C      -1.509091     -3.089294      2.897811
  F      -1.165980     -2.995435      1.577463
  C      -2.857253     -3.218598      3.287894
  C      -4.051091     -3.257097      2.401309
  O      -5.139394     -3.647992      2.848124
  C      -3.993672     -2.697723      0.973514
  C      -4.151111     -1.200488      1.077869
  C      -5.439384     -0.618030      1.066218
  C      -5.572763      0.729431      1.345726
  N      -4.520733      1.537738      1.587393
  C      -3.254809      1.005402      1.509397
  C      -3.050612     -0.373572      1.288415
  C      -3.087365     -3.367761      4.677664
  C      -5.541587     -6.032175     12.754437
  C      -5.696720     -6.443166     11.303645
  O      -5.316254     -7.540488     10.896903
  N      -6.287115     -5.492908     10.501069
  C      -6.550362     -5.540588      9.117673
  C      -6.433128     -6.711842      8.345486
  C      -6.719696     -6.660378      6.982313
  C      -7.100386     -5.463837      6.390056
  F      -7.396422     -5.486745      5.065647
  C      -7.211915     -4.272021      7.124504
  C      -7.533951     -2.926164      6.576597
  O      -7.856575     -2.025081      7.362311
  C      -7.422459     -2.676797      5.085633
  C      -7.167888     -1.237207      4.729459
  C      -8.168702     -0.401403      4.215206
  C      -7.806635      0.901834      3.878953
  N      -6.572390      1.401111      3.981182
  C      -5.588538      0.604165      4.475992
  C      -5.885080     -0.726380      4.879307
  C      -6.943070     -4.352540      8.500897
  H     -10.679340      0.907165      5.877467
  H      -9.956987     -0.493440      6.729998
  H     -11.105194      0.596113      7.569728
  H      -7.956063     -0.154127      7.393589
  H      -5.774715     -0.478429      7.965591
  H      -3.625756      0.439985      8.819098
  H      -5.743007      6.731701      8.443346
  H      -7.175981      5.677966      8.383033
  H      -7.831638      4.965313      6.164194
  H      -7.153420      3.811621      4.052015
  H      -3.633297      5.509171      7.074378
  H      -7.555542      3.423469      8.266504
  H      -2.272801     -3.700102      9.547031
  H      -3.624602     -2.543760      9.777760
  H      -3.965836     -4.245490      9.413421
  H      -1.485375     -3.878580      7.521399
  H       0.098834     -3.184362      5.887227
  H       0.560873     -2.988200      3.428319
  H      -3.057188     -2.960528      0.470866
  H      -4.839458     -3.135828      0.428028
  H      -6.322319     -1.228685      0.878905
  H      -6.554808      1.198156      1.397296
  H      -2.044097     -0.788066      1.282223
  H      -4.116469     -3.501450      5.000862
  H      -6.054096     -6.772343     13.383766
  H      -4.474152     -6.066477     13.012886
  H      -5.933847     -5.032982     12.983928
  H      -6.532138     -4.614910     10.950090
  H      -6.122756     -7.641229      8.814618
  H      -6.655178     -7.557618      6.366197
  H      -8.359649     -3.035814      4.624427
  H      -6.626329     -3.303660      4.657911
  H      -9.191696     -0.754028      4.079011
  H      -8.564864      1.591725      3.487629
  H      -5.109135     -1.380656      5.269706
  H      -7.025952     -3.426521      9.073502
  N      -3.714557      4.415147      1.841842
  H      -3.468081      5.329275      2.228000
  H      -4.663109      4.469254      1.464204
  H      -3.078849      4.172682      1.076191
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543711394313
  N      -2.950875      4.185790      4.663020
  Mo     -3.577321      2.694278      3.332236
  N      -4.305246      1.121476      4.525208
  C      -3.330627      0.286547      5.218451
  C      -2.152515      1.153157      5.578494
  N      -1.720533      1.910414      4.370003
  C      -0.873941      3.077800      4.760335
  C      -1.732999      4.135254      5.436000
  C      -0.939724      1.013493      3.464835
  C      -0.967685      1.587167      2.054482
  N      -2.321107      1.995794      1.731440
  H      -1.187715      5.096832      5.442779
  H      -1.931820      3.880208      6.494251
  H      -0.445081      3.486168      3.836161
  H      -0.048037      2.736544      5.408210
  H      -0.570882      0.843312      1.341040
  H      -0.315403      2.470885      1.979222
  H      -1.428557      0.031877      3.475265
  H       0.083642      0.888372      3.859127
  H      -3.743038     -0.139351      6.147129
  H      -3.018176     -0.579386      4.602856
  H      -2.460282      1.879893      6.340258
  H      -1.307025      0.564712      5.975049
  C     -10.273513      0.531424      6.853427
  C      -9.174287      1.468645      7.309673
  O      -9.372221      2.682884      7.425014
  N      -7.984618      0.847413      7.592690
  C      -6.801920      1.418082      8.077843
  C      -5.687357      0.573041      8.237573
  C      -4.483436      1.082167      8.713285
  C      -4.385754      2.429811      9.038279
  F      -3.174775      2.901845      9.438264
  C      -5.471152      3.302253      8.890131
  C      -5.357171      4.766488      9.177559
  O      -4.681271      5.203553     10.098796
  C      -6.083964      5.712223      8.204700
  C      -5.770499      5.311269      6.785727
  C      -6.774831      4.886658      5.897338
  C      -6.409009      4.241882      4.719470
  N      -5.128388      4.037633      4.390091
  C      -4.141849      4.550574      5.189583
  C      -4.434286      5.197125      6.402867
  C      -6.678045      2.775013      8.403413
  C      -3.364817     -3.396079      9.208592
  C      -3.422764     -3.068432      7.731093
  O      -4.387742     -2.487956      7.231607
  N      -2.332303     -3.487162      7.007907
  C      -2.098784     -3.335317      5.621398
  C      -0.766029     -3.191772      5.195994
  C      -0.489677     -3.075027      3.833765
  C      -1.530638     -3.081098      2.918619
  F      -1.174138     -2.989516      1.601637
  C      -2.882977     -3.207743      3.295088
  C      -4.067148     -3.248628      2.396182
  O      -5.160074     -3.637910      2.833492
  C      -3.997425     -2.690576      0.968421
  C      -4.153417     -1.192926      1.070184
  C      -5.441091     -0.609088      1.056076
  C      -5.573449      0.738547      1.335352
  N      -4.521035      1.545961      1.577814
  C      -3.255359      1.012591      1.499830
  C      -3.052361     -0.366780      1.280891
  C      -3.127410     -3.353745      4.682840
  C      -5.556733     -6.051547     12.765496
  C      -5.693257     -6.460398     11.312134
  O      -5.315012     -7.559762     10.908954
  N      -6.268037     -5.505359     10.503915
  C      -6.526089     -5.552495      9.119676
  C      -6.405926     -6.723163      8.347223
  C      -6.689041     -6.671335      6.983426
  C      -7.069113     -5.474752      6.390625
  F      -7.361557     -5.497831      5.065482
  C      -7.182384     -4.283208      7.125211
  C      -7.503855     -2.935931      6.578213
  O      -7.821445     -2.034934      7.365599
  C      -7.395651     -2.686558      5.087540
  C      -7.148674     -1.246194      4.729568
  C      -8.154346     -0.414374      4.217737
  C      -7.798059      0.889864      3.880009
  N      -6.565393      1.394236      3.978776
  C      -5.577258      0.601592      4.471362
  C      -5.867667     -0.730143      4.875918
  C      -6.917030     -4.364187      8.502170
  H     -10.663586      0.888359      5.891052
  H      -9.943111     -0.508983      6.749782
  H     -11.094223      0.582541      7.583244
  H      -7.937331     -0.162561      7.398154
  H      -5.757908     -0.482752      7.969803
  H      -3.607982      0.440179      8.820178
  H      -5.737353      6.727335      8.442422
  H      -7.169317      5.671927      8.385890
  H      -7.828128      4.959910      6.166614
  H      -7.151898      3.810371      4.051179
  H      -3.629086      5.507672      7.070749
  H      -7.543556      3.416463      8.269466
  H      -2.363062     -3.673496      9.562096
  H      -3.727065     -2.528274      9.774323
  H      -4.049337     -4.233762      9.407002
  H      -1.554683     -3.862027      7.543271
  H       0.046950     -3.175530      5.924132
  H       0.533930     -2.983419      3.469404
  H      -3.057744     -2.954837      0.472483
  H      -4.839877     -3.128146      0.417431
  H      -6.324456     -1.218825      0.867836
  H      -6.555249      1.207938      1.385878
  H      -2.046149     -0.781989      1.275970
  H      -4.159892     -3.485049      4.996193
  H      -6.105873     -6.773926     13.384810
  H      -4.497076     -6.117228     13.048013
  H      -5.925237     -5.040773     12.983492
  H      -6.508917     -4.625043     10.950765
  H      -6.096591     -7.652515      8.817245
  H      -6.621721     -7.567785      6.366467
  H      -8.330329     -3.052231      4.626479
  H      -6.596489     -3.309946      4.660135
  H      -9.176424     -0.770937      4.084884
  H      -8.559947      1.576507      3.490056
  H      -5.088295     -1.381392      5.264597
  H      -7.001091     -3.438056      9.074410
  N      -3.709385      4.423105      1.836853
  H      -3.459524      5.335173      2.225505
  H      -4.657344      4.481199      1.458302
  H      -3.074443      4.179063      1.071001
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543787326545
  N      -2.956599      4.187705      4.664495
  Mo     -3.582505      2.697874      3.332185
  N      -4.310941      1.124544      4.524242
  C      -3.336378      0.288904      5.216649
  C      -2.158125      1.155167      5.577320
  N      -1.726106      1.913153      4.369121
  C      -0.879486      3.080093      4.760571
  C      -1.738571      4.136982      5.437267
  C      -0.944905      1.016759      3.463575
  C      -0.973383      1.590853      2.053283
  N      -2.327126      1.999098      1.730936
  H      -1.193606      5.098719      5.444202
  H      -1.936756      3.881258      6.495452
  H      -0.450235      3.489254      3.836951
  H      -0.053812      2.738193      5.408433
  H      -0.576739      0.847164      1.339587
  H      -0.321497      2.474844      1.978082
  H      -1.433338      0.034902      3.473402
  H       0.078388      0.892116      3.858129
  H      -3.748740     -0.137890      6.144930
  H      -3.023447     -0.576310      4.600277
  H      -2.465528      1.881459      6.339615
  H      -1.312720      0.566042      5.973001
  C     -10.275488      0.528672      6.837616
  C      -9.178655      1.465598      7.300168
  O      -9.379232      2.678857      7.421390
  N      -7.987943      0.845461      7.580870
  C      -6.806751      1.415715      8.070293
  C      -5.692520      0.570384      8.231228
  C      -4.489720      1.078718      8.710437
  C      -4.392748      2.425858      9.037892
  F      -3.182737      2.897131      9.441582
  C      -5.477814      3.298550      8.888592
  C      -5.364417      4.762235      9.178824
  O      -4.690100      5.197889     10.101890
  C      -6.090619      5.709739      8.207078
  C      -5.776685      5.311187      6.787582
  C      -6.780816      4.888573      5.897944
  C      -6.414669      4.245237      4.719366
  N      -5.134026      4.040531      4.390525
  C      -4.147657      4.551974      5.191288
  C      -4.440305      5.197053      6.405244
  C      -6.683607      2.772173      8.398146
  C      -3.264373     -3.436565      9.211460
  C      -3.340403     -3.094491      7.738151
  O      -4.309006     -2.504455      7.257164
  N      -2.261605     -3.510808      6.996398
  C      -2.046865     -3.348555      5.607891
  C      -0.719784     -3.202212      5.165838
  C      -0.461443     -3.076745      3.800876
  C      -1.514358     -3.077747      2.899524
  F      -1.175311     -2.978006      1.578526
  C      -2.861625     -3.207373      3.292827
  C      -4.056273     -3.247399      2.408067
  O      -5.144165     -3.636362      2.858356
  C      -4.003826     -2.689047      0.979624
  C      -4.160579     -1.191388      1.081463
  C      -5.448908     -0.608813      1.076956
  C      -5.580365      0.739365      1.354416
  N      -4.526975      1.548090      1.587700
  C      -3.261450      1.015467      1.501851
  C      -3.058766     -0.363841      1.282612
  C      -3.087842     -3.361012      4.682955
  C      -5.605830     -6.038601     12.778460
  C      -5.732921     -6.449139     11.324636
  O      -5.353666     -7.549226     10.924439
  N      -6.299392     -5.492993     10.511838
  C      -6.553561     -5.541963      9.127095
  C      -6.433242     -6.714100      8.357035
  C      -6.712546     -6.664310      6.992405
  C      -7.088496     -5.467971      6.396317
  F      -7.377108     -5.492911      5.070409
  C      -7.201064     -4.274925      7.128445
  C      -7.516888     -2.927003      6.578309
  O      -7.834162     -2.024209      7.363554
  C      -7.404770     -2.680739      5.087617
  C      -7.156414     -1.241146      4.727526
  C      -8.161146     -0.408674      4.214671
  C      -7.803241      0.894730      3.875996
  N      -6.570233      1.398275      3.975463
  C      -5.583183      0.605361      4.469574
  C      -5.874945     -0.726200      4.874144
  C      -6.940052     -4.353861      8.506271
  H     -10.661673      0.887358      5.874260
  H      -9.944176     -0.511379      6.733062
  H     -11.099223      0.577945      7.564074
  H      -7.938813     -0.163700      7.382916
  H      -5.762979     -0.484982      7.961550
  H      -3.614499      0.436536      8.818231
  H      -5.743425      6.724254      8.446540
  H      -7.176040      5.669824      8.387905
  H      -7.834198      4.962260      6.166789
  H      -7.157496      3.815231      4.050031
  H      -3.635316      5.506189      7.074038
  H      -7.548587      3.414097      8.263146
  H      -2.258051     -3.716702      9.549641
  H      -3.619525     -2.573957      9.789448
  H      -3.945844     -4.276520      9.410456
  H      -1.477200     -3.891337      7.517689
  H       0.102774     -3.190711      5.883216
  H       0.557180     -2.982657      3.423403
  H      -3.069466     -2.952114      0.473036
  H      -4.851958     -3.128098      0.438667
  H      -6.333183     -1.219503      0.896233
  H      -6.562321      1.207730      1.411566
  H      -2.052218     -0.778137      1.271564
  H      -4.116012     -3.495067      5.009026
  H      -6.169046     -6.753400     13.393964
  H      -4.550018     -6.114269     13.072307
  H      -5.966953     -5.023677     12.989509
  H      -6.538564     -4.610951     10.956142
  H      -6.126570     -7.643047      8.829738
  H      -6.644746     -7.561747      6.376929
  H      -8.338105     -3.047350      4.624546
  H      -6.604923     -3.305711      4.663768
  H      -9.183582     -0.764235      4.081895
  H      -8.564099      1.581844      3.484855
  H      -5.096612     -1.377933      5.263992
  H      -7.023477     -3.426379      9.076381
  N      -3.710640      4.428254      1.838299
  H      -3.458159      5.339077      2.228143
  H      -4.658056      4.489620      1.458862
  H      -3.076014      4.182773      1.072617
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.541645037015
  N      -2.945698      4.182867      4.647595
  Mo     -3.569391      2.671669      3.334511
  N      -4.310230      1.116250      4.541686
  C      -3.341963      0.284821      5.247656
  C      -2.165092      1.151593      5.609102
  N      -1.720712      1.897173      4.398140
  C      -0.875101      3.066829      4.783640
  C      -1.737554      4.135306      5.435910
  C      -0.933515      0.992076      3.507488
  C      -0.949616      1.553889      2.092174
  N      -2.301111      1.955933      1.753009
  H      -1.187896      5.094383      5.439500
  H      -1.951926      3.892502      6.494078
  H      -0.436170      3.462545      3.858690
  H      -0.056674      2.730703      5.443443
  H      -0.544249      0.805943      1.387972
  H      -0.299115      2.438861      2.016152
  H      -1.421811      0.010465      3.523957
  H       0.087286      0.870555      3.909543
  H      -3.760807     -0.132871      6.177205
  H      -3.029034     -0.586979      4.640573
  H      -2.477648      1.885729      6.361906
  H      -1.324919      0.564636      6.019447
  C     -10.490378      0.732730      7.064134
  C      -9.349070      1.648424      7.456113
  O      -9.498947      2.873634      7.512546
  N      -8.183002      0.994572      7.764219
  C      -6.971430      1.541706      8.203358
  C      -5.885320      0.664866      8.384508
  C      -4.656270      1.150153      8.819302
  C      -4.505287      2.506481      9.082564
  F      -3.271948      2.952109      9.443209
  C      -5.561065      3.409835      8.911527
  C      -5.393938      4.879959      9.137849
  O      -4.704032      5.329537     10.042234
  C      -6.097373      5.808266      8.132151
  C      -5.775954      5.361660      6.728068
  C      -6.776639      4.920776      5.843172
  C      -6.405148      4.249339      4.681988
  N      -5.123220      4.035470      4.363662
  C      -4.139621      4.560590      5.158076
  C      -4.437984      5.230508      6.357589
  C      -6.793490      2.906042      8.466024
  C      -3.136966     -3.542558      9.179872
  C      -3.226372     -3.192448      7.709509
  O      -4.198908     -2.601764      7.238877
  N      -2.151545     -3.601388      6.956990
  C      -1.947059     -3.426332      5.568195
  C      -0.625684     -3.261545      5.117406
  C      -0.378908     -3.122586      3.751506
  C      -1.438760     -3.126848      2.858076
  F      -1.110556     -3.013726      1.535538
  C      -2.781403     -3.271404      3.261103
  C      -3.984392     -3.304992      2.386118
  O      -5.066795     -3.705299      2.838355
  C      -3.938561     -2.738682      0.960811
  C      -4.106758     -1.243077      1.070301
  C      -5.398101     -0.668028      1.044539
  C      -5.542422      0.680007      1.316209
  N      -4.497638      1.494554      1.570083
  C      -3.228348      0.967503      1.513612
  C      -3.013626     -0.409861      1.293139
  C      -2.995134     -3.441056      4.650856
  C      -5.522446     -6.076321     12.701581
  C      -5.681149     -6.478908     11.248763
  O      -5.276152     -7.562076     10.827874
  N      -6.295002     -5.534199     10.457127
  C      -6.554075     -5.572861      9.072988
  C      -6.418743     -6.735932      8.291318
  C      -6.698947     -6.676247      6.927054
  C      -7.088956     -5.478786      6.342766
  F      -7.377596     -5.492441      5.016616
  C      -7.218893     -4.295104      7.087057
  C      -7.548251     -2.948594      6.546377
  O      -7.896922     -2.058694      7.334399
  C      -7.419671     -2.684970      5.058476
  C      -7.164768     -1.240791      4.719376
  C      -8.162519     -0.403265      4.203007
  C      -7.798960      0.901841      3.875098
  N      -6.565673      1.400733      3.985462
  C      -5.584247      0.602568      4.484123
  C      -5.883164     -0.729328      4.881447
  C      -6.957803     -4.384164      8.464381
  H     -10.893124      1.066218      6.098568
  H     -10.197738     -0.321650      6.994256
  H     -11.290487      0.840460      7.810682
  H      -8.178379     -0.024364      7.616459
  H      -5.993313     -0.399000      8.166255
  H      -3.802949      0.481675      8.941209
  H      -5.739468      6.825247      8.343634
  H      -7.184716      5.788078      8.304323
  H      -7.831502      5.006068      6.102438
  H      -7.145871      3.807045      4.018150
  H      -3.635777      5.552967      7.023526
  H      -7.637714      3.572042      8.317026
  H      -2.132747     -3.844029      9.504659
  H      -3.473482     -2.681663      9.771293
  H      -3.831389     -4.372595      9.377001
  H      -1.364760     -3.989412      7.469004
  H       0.201905     -3.246169      5.828908
  H       0.636163     -3.014924      3.368215
  H      -3.001583     -2.992964      0.454670
  H      -4.783162     -3.180570      0.416474
  H      -6.275313     -1.283777      0.847172
  H      -6.527295      1.143945      1.351787
  H      -2.004557     -0.818286      1.294736
  H      -4.019847     -3.587424      4.982532
  H      -5.977177     -6.853503     13.330099
  H      -4.450240     -6.047989     12.940725
  H      -5.969023     -5.104953     12.950544
  H      -6.561488     -4.667812     10.915866
  H      -6.097717     -7.665373      8.753288
  H      -6.621174     -7.568005      6.304507
  H      -8.352395     -3.039302      4.584618
  H      -6.618312     -3.306075      4.632914
  H      -9.183697     -0.756466      4.055830
  H      -8.554354      1.593197      3.480846
  H      -5.108911     -1.385857      5.271295
  H      -7.056047     -3.464937      9.045460
  N      -3.704164      4.377097      1.812778
  H      -3.453964      5.296813      2.183379
  H      -4.654629      4.429253      1.439677
  H      -3.071922      4.122873      1.048094
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543258160033
  N      -2.959012      4.181655      4.680011
  Mo     -3.587847      2.680929      3.357857
  N      -4.322971      1.118121      4.557419
  C      -3.352121      0.278758      5.250303
  C      -2.172709      1.141630      5.613457
  N      -1.734107      1.897942      4.406959
  C      -0.887322      3.064694      4.798700
  C      -1.747442      4.127809      5.463057
  C      -0.950270      1.000635      3.505456
  C      -0.973384      1.574113      2.094946
  N      -2.326905      1.977537      1.765610
  H      -1.198080      5.087005      5.472101
  H      -1.957403      3.876350      6.520032
  H      -0.451535      3.468030      3.875560
  H      -0.066514      2.723486      5.452934
  H      -0.570785      0.832162      1.382850
  H      -0.324059      2.460279      2.023074
  H      -1.437864      0.018546      3.515771
  H       0.072271      0.876737      3.902295
  H      -3.766532     -0.146881      6.178234
  H      -3.043012     -0.587598      4.633733
  H      -2.480811      1.869273      6.374356
  H      -1.330958      0.550249      6.013958
  C     -10.294257      0.593604      6.763873
  C      -9.195941      1.522470      7.239175
  O      -9.389454      2.736637      7.361796
  N      -8.016125      0.891026      7.541307
  C      -6.835634      1.451303      8.043779
  C      -5.725962      0.600398      8.204368
  C      -4.523623      1.099631      8.694124
  C      -4.422635      2.444040      9.031888
  F      -3.212244      2.908487      9.442848
  C      -5.503377      3.321893      8.884199
  C      -5.383757      4.784259      9.180251
  O      -4.706162      5.213017     10.103894
  C      -6.098539      5.735853      8.204939
  C      -5.781472      5.327856      6.788627
  C      -6.785352      4.898826      5.901537
  C      -6.418201      4.243383      4.730155
  N      -5.137418      4.033842      4.405209
  C      -4.151090      4.552070      5.200734
  C      -4.444778      5.207318      6.409444
  C      -6.708998      2.804237      8.384213
  C      -3.254173     -3.473174      9.184627
  C      -3.324932     -3.134504      7.710552
  O      -4.293034     -2.549855      7.222910
  N      -2.239978     -3.547432      6.975092
  C      -2.018865     -3.384978      5.587510
  C      -0.691607     -3.226995      5.151296
  C      -0.428142     -3.098685      3.787447
  C      -1.477209     -3.106680      2.881473
  F      -1.133070     -3.002727      1.562207
  C      -2.824965     -3.246042      3.269528
  C      -4.017836     -3.282587      2.381468
  O      -5.104119     -3.685007      2.822970
  C      -3.960776     -2.715648      0.956717
  C      -4.129752     -1.220235      1.067725
  C      -5.421621     -0.646576      1.043666
  C      -5.567766      0.699380      1.324346
  N      -4.524138      1.513901      1.583199
  C      -3.253825      0.989198      1.522829
  C      -3.037662     -0.386802      1.295359
  C      -3.055745     -3.405353      4.657873
  C      -5.462789     -6.037940     12.738978
  C      -5.647095     -6.441365     11.289513
  O      -5.260462     -7.529923     10.865323
  N      -6.267225     -5.493501     10.506468
  C      -6.552244     -5.533745      9.127230
  C      -6.445877     -6.701115      8.347622
  C      -6.751726     -6.643421      6.988797
  C      -7.139766     -5.443745      6.407772
  F      -7.454109     -5.458502      5.087491
  C      -7.241261     -4.256068      7.149851
  C      -7.567464     -2.907820      6.610685
  O      -7.886795     -2.010650      7.402453
  C      -7.463273     -2.651657      5.119788
  C      -7.197424     -1.211989      4.771085
  C      -8.193637     -0.363557      4.269179
  C      -7.821457      0.937878      3.937535
  N      -6.581715      1.423975      4.031190
  C      -5.601306      0.614335      4.512490
  C      -5.907796     -0.715071      4.912470
  C      -6.953574     -4.342537      8.521946
  H     -10.685485      0.970618      5.809737
  H      -9.962631     -0.444106      6.639285
  H     -11.115165      0.628248      7.494680
  H      -7.971739     -0.116607      7.335741
  H      -5.794867     -0.452618      7.925706
  H      -3.651900      0.452539      8.799791
  H      -5.747491      6.749273      8.443370
  H      -7.184946      5.701742      8.380722
  H      -7.838995      4.975639      6.168346
  H      -7.161032      3.806552      4.064975
  H      -3.640245      5.520198      7.077095
  H      -7.569980      3.451299      8.247698
  H      -2.253688     -3.770669      9.524547
  H      -3.598333     -2.607052      9.763993
  H      -3.950136     -4.302081      9.380429
  H      -1.458378     -3.928661      7.500011
  H       0.127533     -3.208111      5.872441
  H       0.591621     -2.995808      3.415456
  H      -3.020588     -2.969124      0.456251
  H      -4.802010     -3.156861      0.406661
  H      -6.298190     -1.262507      0.844076
  H      -6.553890      1.160468      1.365584
  H      -2.028120     -0.793936      1.295939
  H      -4.084761     -3.546020      4.978442
  H      -5.912436     -6.811201     13.376042
  H      -4.386680     -6.016914     12.960936
  H      -5.898684     -5.063265     12.993766
  H      -6.516345     -4.622903     10.967223
  H      -6.126861     -7.632410      8.807048
  H      -6.696014     -7.538019      6.367986
  H      -8.408062     -2.997292      4.663856
  H      -6.676745     -3.284030      4.682818
  H      -9.220365     -0.705433      4.136351
  H      -8.575294      1.637503      3.555104
  H      -5.134895     -1.380255      5.290428
  H      -7.028701     -3.419771      9.100757
  N      -3.732317      4.398510      1.850296
  H      -3.482046      5.315377      2.227725
  H      -4.684441      4.451522      1.481578
  H      -3.103349      4.152112      1.080369
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.529254483988
  N      -2.932806      4.156120      4.729459
  Mo     -3.527992      2.716187      3.329378
  N      -4.269868      1.093545      4.441432
  C      -3.307034      0.239386      5.127732
  C      -2.139277      1.095531      5.541869
  N      -1.687746      1.897408      4.369660
  C      -0.853102      3.051513      4.820493
  C      -1.729409      4.077170      5.522588
  C      -0.890005      1.036267      3.443657
  C      -0.894607      1.661755      2.054792
  N      -2.241663      2.087137      1.727269
  H      -1.188322      5.039422      5.580643
  H      -1.947685      3.777185      6.565110
  H      -0.409473      3.497916      3.921201
  H      -0.037685      2.687920      5.469437
  H      -0.487719      0.944218      1.320385
  H      -0.239421      2.546002      2.022582
  H      -1.378984      0.054933      3.409299
  H       0.126885      0.895515      3.849546
  H      -3.737967     -0.222876      6.030281
  H      -2.976488     -0.601904      4.487690
  H      -2.464189      1.793537      6.323229
  H      -1.299272      0.495996      5.933277
  C     -10.246646      0.109876      7.117132
  C      -9.158174      1.090660      7.502620
  O      -9.391103      2.298963      7.612282
  N      -7.934439      0.514956      7.732110
  C      -6.750164      1.131586      8.153444
  C      -5.601542      0.325709      8.260024
  C      -4.397204      0.873997      8.687333
  C      -4.333410      2.221938      9.019367
  F      -3.125702      2.731495      9.381072
  C      -5.452050      3.059034      8.918388
  C      -5.374537      4.521370      9.233658
  O      -4.703884      4.952720     10.161539
  C      -6.128419      5.479900      8.292530
  C      -5.793624      5.154772      6.859159
  C      -6.780891      4.762593      5.937734
  C      -6.392001      4.183770      4.733562
  N      -5.104611      4.005143      4.415815
  C      -4.134940      4.490859      5.251470
  C      -4.451284      5.080846      6.487415
  C      -6.659010      2.492737      8.475659
  C      -3.412193     -3.384593      9.036051
  C      -3.459246     -3.043687      7.560758
  O      -4.413447     -2.444119      7.062750
  N      -2.372337     -3.474784      6.839498
  C      -2.126637     -3.310717      5.456613
  C      -0.788803     -3.182171      5.042413
  C      -0.501131     -3.052781      3.683676
  C      -1.535496     -3.030399      2.761490
  F      -1.168057     -2.926540      1.448348
  C      -2.892423     -3.141066      3.126889
  C      -4.072961     -3.143880      2.222355
  O      -5.173399     -3.527916      2.645388
  C      -3.991662     -2.547494      0.810805
  C      -4.120958     -1.051417      0.961040
  C      -5.399462     -0.447815      0.984538
  C      -5.506890      0.888805      1.321624
  N      -4.439255      1.670647      1.575265
  C      -3.183880      1.123935      1.454396
  C      -3.003941     -0.250616      1.188812
  C      -3.148655     -3.301776      4.510948
  C      -5.752709     -5.514827     12.962918
  C      -5.857034     -6.028717     11.540757
  O      -5.464713     -7.151969     11.226952
  N      -6.419407     -5.138111     10.654004
  C      -6.633014     -5.280714      9.268240
  C      -6.494205     -6.502493      8.582884
  C      -6.734601     -6.544560      7.210638
  C      -7.092093     -5.391427      6.525262
  F      -7.345377     -5.506415      5.196767
  C      -7.223441     -4.151286      7.171511
  C      -7.526892     -2.845755      6.523217
  O      -7.867514     -1.891097      7.234040
  C      -7.370053     -2.696748      5.023420
  C      -7.105587     -1.280868      4.593943
  C      -8.094611     -0.471902      4.017531
  C      -7.731100      0.823317      3.652144
  N      -6.506572      1.338994      3.789367
  C      -5.533907      0.563947      4.337587
  C      -5.830895     -0.758555      4.762235
  C      -6.999901     -4.137380      8.558243
  H     -10.707362      0.445246      6.178693
  H      -9.884493     -0.918223      6.998477
  H     -11.023126      0.134953      7.895179
  H      -7.860094     -0.493953      7.545516
  H      -5.648545     -0.731487      7.992396
  H      -3.498052      0.260669      8.756081
  H      -5.812891      6.493744      8.574469
  H      -7.213175      5.401297      8.464816
  H      -7.838382      4.808791      6.196303
  H      -7.120183      3.775544      4.035569
  H      -3.658995      5.367839      7.180710
  H      -7.553043      3.102242      8.387572
  H      -2.417793     -3.687305      9.389711
  H      -3.756133     -2.513310      9.607871
  H      -4.115823     -4.208039      9.227109
  H      -1.606115     -3.871241      7.375750
  H       0.018996     -3.186914      5.776451
  H       0.526307     -2.972030      3.327606
  H      -3.057545     -2.813036      0.305195
  H      -4.842498     -2.953772      0.248919
  H      -6.294555     -1.036897      0.786061
  H      -6.480089      1.372353      1.403271
  H      -2.004881     -0.681555      1.161974
  H      -4.185573     -3.418239      4.815770
  H      -6.258650     -6.225561     13.630330
  H      -4.691310     -5.496074     13.247444
  H      -6.180677     -4.514970     13.111765
  H      -6.677887     -4.230660     11.032015
  H      -6.204621     -7.397895      9.125405
  H      -6.653473     -7.482023      6.659895
  H      -8.293284     -3.084314      4.557423
  H      -6.561142     -3.348279      4.660490
  H      -9.113195     -0.834699      3.870037
  H      -8.482531      1.495801      3.219422
  H      -5.066165     -1.388284      5.211560
  H      -7.098891     -3.173847      9.062344
  N      -3.650301      4.500612      1.901042
  H      -3.409564      5.397922      2.327768
  H      -4.594160      4.569005      1.514090
  H      -3.005439      4.289077      1.133816
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.540446079515
  N      -2.932004      4.175004      4.695399
  Mo     -3.550777      2.699187      3.344919
  N      -4.298148      1.109976      4.506150
  C      -3.333461      0.271469      5.210194
  C      -2.159812      1.132039      5.595546
  N      -1.710637      1.894877      4.397579
  C      -0.862670      3.053922      4.807897
  C      -1.724387      4.109105      5.483362
  C      -0.925651      0.999014      3.493008
  C      -0.933133      1.583347      2.086341
  N      -2.278184      2.012096      1.755667
  H      -1.173429      5.067180      5.506877
  H      -1.938540      3.844833      6.536336
  H      -0.420828      3.468404      3.892615
  H      -0.046371      2.702846      5.462654
  H      -0.537813      0.841007      1.370498
  H      -0.270223      2.460188      2.024527
  H      -1.423113      0.021205      3.489649
  H       0.092251      0.861487      3.897467
  H      -3.761918     -0.164979      6.126872
  H      -3.009188     -0.588016      4.591279
  H      -2.475652      1.854059      6.358596
  H      -1.321239      0.538339      5.998674
  C     -10.355540      0.576989      6.927589
  C      -9.241308      1.501181      7.374580
  O      -9.421326      2.718457      7.484741
  N      -8.053924      0.867973      7.640229
  C      -6.857116      1.425495      8.103705
  C      -5.747776      0.569983      8.240154
  C      -4.531490      1.065898      8.697818
  C      -4.416850      2.411419      9.026562
  F      -3.196382      2.870984      9.410871
  C      -5.496807      3.293999      8.897252
  C      -5.370672      4.755878      9.187581
  O      -4.690131      5.188270     10.107697
  C      -6.090734      5.704551      8.212999
  C      -5.766555      5.306638      6.795609
  C      -6.763671      4.894773      5.893853
  C      -6.389551      4.256505      4.714827
  N      -5.107012      4.043728      4.397387
  C      -4.126016      4.543361      5.212053
  C      -4.427967      5.184992      6.425725
  C      -6.715767      2.779399      8.429708
  C      -3.298000     -3.403435      9.146519
  C      -3.383393     -3.071156      7.671011
  O      -4.345748     -2.466779      7.195558
  N      -2.321001     -3.515570      6.922220
  C      -2.112474     -3.362330      5.532145
  C      -0.784955     -3.246320      5.082350
  C      -0.531835     -3.127675      3.716088
  C      -1.589698     -3.104351      2.821204
  F      -1.255623     -3.012207      1.498315
  C      -2.937454     -3.204331      3.221981
  C      -4.138248     -3.208345      2.344610
  O      -5.231651     -3.581174      2.794481
  C      -4.084375     -2.619037      0.929325
  C      -4.198186     -1.120174      1.069321
  C      -5.470073     -0.502658      1.104556
  C      -5.558115      0.840680      1.421227
  N      -4.479072      1.615336      1.643655
  C      -3.231995      1.052948      1.513167
  C      -3.070010     -0.327883      1.269887
  C      -3.159290     -3.352633      4.613509
  C      -5.666236     -5.925923     12.856492
  C      -5.732407     -6.369095     11.408338
  O      -5.293255     -7.458418     11.041611
  N      -6.316854     -5.454753     10.560928
  C      -6.509774     -5.534490      9.167402
  C      -6.319293     -6.714989      8.424926
  C      -6.542682     -6.697706      7.049476
  C      -6.933443     -5.525321      6.416730
  F      -7.169040     -5.585510      5.081480
  C      -7.115644     -4.323464      7.121079
  C      -7.458017     -2.996979      6.534925
  O      -7.844448     -2.095650      7.288622
  C      -7.296376     -2.768935      5.045751
  C      -7.080925     -1.328718      4.663683
  C      -8.093941     -0.540017      4.100515
  C      -7.763929      0.766251      3.739792
  N      -6.550665      1.312145      3.868470
  C      -5.558417      0.563302      4.417747
  C      -5.823437     -0.767337      4.842658
  C      -6.909318     -4.370912      8.509839
  H     -10.758277      0.945468      5.974720
  H     -10.036985     -0.465623      6.809659
  H     -11.163590      0.628650      7.671203
  H      -8.017667     -0.139105      7.443311
  H      -5.834444     -0.483400      7.967803
  H      -3.661218      0.414507      8.788004
  H      -5.744645      6.718629      8.455470
  H      -7.177346      5.664754      8.386327
  H      -7.819356      4.975291      6.151509
  H      -7.127995      3.837423      4.034586
  H      -3.627972      5.486779      7.103684
  H      -7.578139      3.428327      8.313661
  H      -2.295701     -3.709600      9.474024
  H      -3.620248     -2.525863      9.721163
  H      -4.000481     -4.221390      9.363136
  H      -1.542319     -3.913238      7.439290
  H       0.041650     -3.252150      5.795121
  H       0.486431     -3.056599      3.332599
  H      -3.163159     -2.894737      0.405888
  H      -4.949623     -3.022474      0.387939
  H      -6.374206     -1.084277      0.925940
  H      -6.524018      1.338067      1.504544
  H      -2.075588     -0.768920      1.234231
  H      -4.188727     -3.460858      4.946264
  H      -6.153455     -6.688509     13.478964
  H      -4.610518     -5.880964     13.158711
  H      -6.135667     -4.952290     13.048298
  H      -6.611617     -4.577532     10.981083
  H      -6.004135     -7.625415      8.926946
  H      -6.422087     -7.603184      6.454230
  H      -8.200012     -3.172781      4.555768
  H      -6.462313     -3.374995      4.662632
  H      -9.102921     -0.930629      3.950572
  H      -8.533512      1.420330      3.310701
  H      -5.040215     -1.379183      5.283872
  H      -7.047827     -3.437529      9.059400
  N      -3.661581      4.442049      1.864427
  H      -3.409636      5.348670      2.263998
  H      -4.605860      4.509207      1.478414
  H      -3.021455      4.199985      1.102223
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.539982065533
  N      -2.980998      4.184967      4.618432
  Mo     -3.627649      2.666247      3.325610
  N      -4.325742      1.109082      4.558960
  C      -3.332914      0.284932      5.240855
  C      -2.151122      1.165029      5.562683
  N      -1.745649      1.908967      4.336370
  C      -0.897710      3.087447      4.691215
  C      -1.747637      4.151943      5.367904
  C      -0.974968      1.008335      3.429950
  C      -1.035458      1.566102      2.016225
  N      -2.398893      1.952287      1.702320
  H      -1.206672      5.115840      5.349604
  H      -1.924838      3.911806      6.433390
  H      -0.490929      3.483650      3.751885
  H      -0.056375      2.760218      5.326399
  H      -0.639354      0.820481      1.304319
  H      -0.395655      2.457193      1.922997
  H      -1.448389      0.023042      3.457915
  H       0.056569      0.900688      3.807363
  H      -3.720666     -0.126974      6.185730
  H      -3.034613     -0.591634      4.634038
  H      -2.448712      1.901034      6.319574
  H      -1.294652      0.587228      5.951865
  C     -10.325000      0.684525      6.916182
  C      -9.209091      1.607087      7.361810
  O      -9.387792      2.824489      7.473595
  N      -8.028488      0.966942      7.643162
  C      -6.830213      1.517600      8.114083
  C      -5.727830      0.655004      8.263176
  C      -4.509760      1.145244      8.722971
  C      -4.384780      2.493355      9.040619
  F      -3.162616      2.949925      9.426209
  C      -5.457406      3.381295      8.900060
  C      -5.322900      4.845806      9.171685
  O      -4.637505      5.290235     10.081967
  C      -6.061715      5.770736      8.190728
  C      -5.763518      5.338441      6.777370
  C      -6.783993      4.889084      5.919012
  C      -6.438885      4.220369      4.748606
  N      -5.165052      4.017314      4.394549
  C      -4.163461      4.551355      5.163279
  C      -4.433993      5.221020      6.370214
  C      -6.679368      2.872530      8.433004
  C      -3.162100     -3.355183      9.281954
  C      -3.229072     -3.053160      7.800006
  O      -4.213712     -2.519987      7.287101
  N      -2.120419     -3.434385      7.084235
  C      -1.895779     -3.288931      5.695195
  C      -0.573900     -3.076538      5.265867
  C      -0.305071     -2.963796      3.901821
  C      -1.345025     -3.040951      2.988690
  F      -0.996201     -2.949024      1.669866
  C      -2.687632     -3.236577      3.368890
  C      -3.863903     -3.356015      2.466445
  O      -4.933975     -3.797880      2.909359
  C      -3.812583     -2.825169      1.025067
  C      -4.057214     -1.337340      1.078493
  C      -5.375842     -0.834693      1.020949
  C      -5.597654      0.508321      1.257956
  N      -4.600521      1.385763      1.510652
  C      -3.299320      0.929058      1.474934
  C      -3.013253     -0.440209      1.285963
  C      -2.923606     -3.378490      4.758874
  C      -5.535524     -6.275614     12.610756
  C      -5.754703     -6.632989     11.153943
  O      -5.425298     -7.727034     10.696652
  N      -6.339968     -5.637259     10.404174
  C      -6.651225     -5.629132      9.030596
  C      -6.605135     -6.777847      8.218085
  C      -6.935835     -6.671512      6.867928
  C      -7.291069     -5.442641      6.327683
  F      -7.632016     -5.408124      5.014378
  C      -7.331868     -4.273704      7.103077
  C      -7.622244     -2.899823      6.607368
  O      -7.877959     -2.012149      7.431066
  C      -7.548785     -2.613735      5.120944
  C      -7.248209     -1.176702      4.788206
  C      -8.230419     -0.289117      4.325630
  C      -7.829569      1.004544      4.009289
  N      -6.576213      1.452856      4.084195
  C      -5.606777      0.610619      4.529115
  C      -5.941531     -0.719744      4.910407
  C      -7.019225     -4.407553      8.465440
  H     -10.721482      1.050479      5.959843
  H     -10.008681     -0.359605      6.805152
  H     -11.137393      0.742261      7.654950
  H      -8.000174     -0.042955      7.449074
  H      -5.815552     -0.400723      7.999556
  H      -3.645651      0.486976      8.821339
  H      -5.724941      6.794561      8.404573
  H      -7.144642      5.721959      8.383505
  H      -7.831927      4.963213      6.208413
  H      -7.194634      3.770007      4.105679
  H      -3.616679      5.549955      7.014352
  H      -7.534694      3.529230      8.305833
  H      -2.152134     -3.592050      9.641029
  H      -3.557783     -2.494865      9.836523
  H      -3.817051     -4.214627      9.487809
  H      -1.326463     -3.766911      7.623504
  H       0.237224     -3.004225      5.992664
  H       0.711667     -2.820416      3.535072
  H      -2.852002     -3.049419      0.549414
  H      -4.621562     -3.322155      0.474171
  H      -6.215673     -1.502214      0.830238
  H      -6.608477      0.912492      1.271934
  H      -1.984111     -0.794819      1.311520
  H      -3.947137     -3.569787      5.075529
  H      -6.023959     -7.036794     13.233567
  H      -4.458717     -6.319703     12.824806
  H      -5.915141     -5.284425     12.890657
  H      -6.537549     -4.767218     10.889846
  H      -6.314272     -7.732956      8.646495
  H      -6.925953     -7.549885      6.221954
  H      -8.512750     -2.924863      4.680494
  H      -6.792678     -3.260571      4.653528
  H      -9.267531     -0.594076      4.210050
  H      -8.570785      1.732092      3.655668
  H      -5.184896     -1.416885      5.258210
  H      -7.047039     -3.498491      9.069682
  N      -3.810164      4.370899      1.806505
  H      -3.554447      5.291733      2.170736
  H      -4.769018      4.418470      1.455019
  H      -3.195664      4.118234      1.026934
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543015463051
  N      -2.958389      4.185916      4.683982
  Mo     -3.586329      2.690565      3.357670
  N      -4.343221      1.129162      4.549831
  C      -3.384826      0.289407      5.259612
  C      -2.202936      1.146845      5.628225
  N      -1.748917      1.894224      4.421777
  C      -0.895782      3.055095      4.816768
  C      -1.751886      4.125592      5.474194
  C      -0.963796      0.989102      3.529338
  C      -0.968345      1.563001      2.118830
  N      -2.315324      1.976379      1.773658
  H      -1.195837      5.080887      5.483508
  H      -1.968943      3.878459      6.530713
  H      -0.450882      3.453608      3.896014
  H      -0.081886      2.709182      5.477260
  H      -0.563362      0.818550      1.410911
  H      -0.311571      2.444274      2.054227
  H      -1.458743      0.010060      3.534203
  H       0.053532      0.858075      3.937212
  H      -3.812546     -0.126074      6.186524
  H      -3.075323     -0.584702      4.654712
  H      -2.512968      1.880625      6.382343
  H      -1.368298      0.552278      6.038563
  C     -10.341980      0.610007      6.883400
  C      -9.239584      1.544845      7.337127
  O      -9.430540      2.760876      7.442599
  N      -8.055223      0.918594      7.632087
  C      -6.867045      1.485063      8.108422
  C      -5.756986      0.634428      8.267046
  C      -4.546764      1.139364      8.730156
  C      -4.438703      2.489215      9.042746
  F      -3.222442      2.957775      9.429888
  C      -5.519342      3.367239      8.894148
  C      -5.395662      4.833813      9.169187
  O      -4.715918      5.274230     10.085600
  C      -6.110463      5.774153      8.181837
  C      -5.786146      5.358278      6.769622
  C      -6.786627      4.939109      5.874056
  C      -6.416119      4.281710      4.704737
  N      -5.134969      4.057956      4.390608
  C      -4.150819      4.566143      5.195857
  C      -4.448187      5.226409      6.400595
  C      -6.733245      2.843483      8.421817
  C      -3.265584     -3.634336      9.171396
  C      -3.326798     -3.253165      7.707131
  O      -4.290210     -2.650841      7.231466
  N      -2.242516     -3.652554      6.963944
  C      -2.019420     -3.455399      5.581201
  C      -0.690534     -3.297992      5.149350
  C      -0.425478     -3.142907      3.788676
  C      -1.474200     -3.124902      2.882463
  F      -1.128346     -2.999373      1.565504
  C      -2.823556     -3.261232      3.266758
  C      -4.014646     -3.282831      2.375721
  O      -5.103182     -3.685371      2.811139
  C      -3.949568     -2.712321      0.952661
  C      -4.117286     -1.216385      1.059978
  C      -5.406711     -0.639153      1.019369
  C      -5.551043      0.709840      1.289606
  N      -4.509525      1.522367      1.558662
  C      -3.242566      0.992852      1.517768
  C      -3.026753     -0.384223      1.296453
  C      -3.056156     -3.446305      4.651491
  C      -5.433452     -5.959452     12.726368
  C      -5.603001     -6.381717     11.280392
  O      -5.204476     -7.471592     10.871127
  N      -6.225565     -5.447070     10.483642
  C      -6.508672     -5.505322      9.104812
  C      -6.388204     -6.679322      8.337599
  C      -6.695596     -6.639855      6.978655
  C      -7.100172     -5.451578      6.385362
  F      -7.415058     -5.486109      5.065524
  C      -7.216974     -4.257369      7.115080
  C      -7.562723     -2.916637      6.565137
  O      -7.887809     -2.017337      7.350248
  C      -7.453642     -2.666528      5.074465
  C      -7.199807     -1.226330      4.719837
  C      -8.198382     -0.388861      4.204177
  C      -7.834373      0.916061      3.877324
  N      -6.600696      1.415630      3.989306
  C      -5.618432      0.617331      4.484693
  C      -5.917832     -0.715371      4.877850
  C      -6.926540     -4.325984      8.487612
  H     -10.734478      0.969499      5.922910
  H     -10.014567     -0.431203      6.777563
  H     -11.160617      0.661143      7.615576
  H      -8.012236     -0.090620      7.441848
  H      -5.834676     -0.422785      8.007050
  H      -3.675515      0.491387      8.835350
  H      -5.764285      6.790892      8.413339
  H      -7.197498      5.738258      8.353097
  H      -7.841664      5.027941      6.131382
  H      -7.157542      3.856219      4.031218
  H      -3.646120      5.533983      7.073646
  H      -7.595422      3.489159      8.288385
  H      -2.266461     -3.939886      9.508594
  H      -3.612392     -2.783361      9.771285
  H      -3.961988     -4.468605      9.341683
  H      -1.463531     -4.050773      7.480110
  H       0.128366     -3.302512      5.870972
  H       0.595118     -3.041385      3.418536
  H      -3.006764     -2.967325      0.457965
  H      -4.787534     -3.152082      0.396536
  H      -6.282761     -1.252505      0.809477
  H      -6.535953      1.174935      1.312510
  H      -2.018321     -0.793402      1.312945
  H      -4.085423     -3.588501      4.969000
  H      -5.890202     -6.723780     13.369253
  H      -4.359837     -5.934621     12.959806
  H      -5.873567     -4.981836     12.962055
  H      -6.479125     -4.571704     10.932979
  H      -6.057744     -7.601534      8.807249
  H      -6.627836     -7.539473      6.366381
  H      -8.389605     -3.027280      4.612152
  H      -6.656417     -3.292187      4.647560
  H      -9.220186     -0.741335      4.057300
  H      -8.590008      1.607360      3.482966
  H      -5.144532     -1.373128      5.266490
  H      -7.011652     -3.397722      9.056343
  N      -3.697729      4.408889      1.848431
  H      -3.442863      5.322445      2.230373
  H      -4.643823      4.471469      1.465730
  H      -3.061041      4.154753      1.087353
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.541565881647
  N      -2.940778      4.180740      4.641787
  Mo     -3.574116      2.687178      3.318542
  N      -4.272108      1.104784      4.516551
  C      -3.280241      0.275946      5.191647
  C      -2.105488      1.149551      5.540451
  N      -1.697111      1.914331      4.329276
  C      -0.854992      3.086568      4.713491
  C      -1.714240      4.135036      5.401692
  C      -0.921777      1.026530      3.409257
  C      -0.973524      1.604689      2.000862
  N      -2.335018      2.004834      1.702168
  H      -1.175632      5.100293      5.406239
  H      -1.900671      3.874734      6.460876
  H      -0.440065      3.501243      3.785962
  H      -0.019137      2.749748      5.350790
  H      -0.581414      0.867293      1.278425
  H      -0.329378      2.493811      1.918967
  H      -1.404254      0.040608      3.424004
  H       0.108309      0.906925      3.787740
  H      -3.676219     -0.160251      6.123325
  H      -2.966610     -0.581445      4.563879
  H      -2.408362      1.870370      6.309772
  H      -1.250012      0.565940      5.922530
  C     -10.216373      0.525826      6.758235
  C      -9.120792      1.450988      7.246384
  O      -9.309912      2.666147      7.364226
  N      -7.945101      0.817401      7.559270
  C      -6.766297      1.376501      8.067108
  C      -5.661462      0.521836      8.240279
  C      -4.458560      1.020597      8.729089
  C      -4.353073      2.367674      9.053211
  F      -3.141920      2.829514      9.463254
  C      -5.429805      3.249477      8.896594
  C      -5.304080      4.714077      9.186271
  O      -4.627412      5.142168     10.110791
  C      -6.038591      5.670475      8.228549
  C      -5.739969      5.282067      6.803340
  C      -6.753110      4.858345      5.924857
  C      -6.398172      4.217767      4.741682
  N      -5.120574      4.019269      4.397535
  C      -4.127275      4.535737      5.185250
  C      -4.408204      5.176431      6.404086
  C      -6.636337      2.731966      8.397722
  C      -3.236526     -3.139253      9.199741
  C      -3.352245     -2.864903      7.714914
  O      -4.341735     -2.312866      7.231308
  N      -2.278100     -3.293731      6.971846
  C      -2.080866     -3.181054      5.575632
  C      -0.760354     -3.026738      5.117289
  C      -0.514295     -2.945478      3.747008
  C      -1.573839     -2.995554      2.855228
  F      -1.245894     -2.929196      1.529297
  C      -2.915563     -3.137153      3.263974
  C      -4.118951     -3.209846      2.392177
  O      -5.199329     -3.598770      2.858857
  C      -4.090505     -2.657578      0.962248
  C      -4.222608     -1.157975      1.071285
  C      -5.499796     -0.552065      1.102145
  C      -5.598126      0.797438      1.393217
  N      -4.526464      1.584724      1.604171
  C      -3.277351      1.030217      1.484012
  C      -3.101811     -0.350923      1.252073
  C      -3.128595     -3.247564      4.660309
  C      -5.876428     -6.168217     12.883926
  C      -5.930891     -6.566622     11.422300
  O      -5.520629     -7.658931     11.031510
  N      -6.461909     -5.606894     10.590029
  C      -6.628234     -5.639931      9.191205
  C      -6.464775     -6.805174      8.418586
  C      -6.660605     -6.741479      7.040119
  C      -6.997706     -5.538535      6.434671
  F      -7.210509     -5.550441      5.094073
  C      -7.149479     -4.351534      7.169731
  C      -7.442292     -3.001168      6.613601
  O      -7.821087     -2.109036      7.383258
  C      -7.293644     -2.752725      5.125331
  C      -7.071436     -1.308134      4.765816
  C      -8.093553     -0.504523      4.243017
  C      -7.765257      0.804800      3.892680
  N      -6.543200      1.335921      3.984513
  C      -5.538221      0.568870      4.483524
  C      -5.802012     -0.761222      4.910458
  C      -6.970458     -4.443927      8.559842
  H     -10.584397      0.895466      5.791963
  H      -9.891074     -0.515747      6.650562
  H     -11.051636      0.574738      7.471520
  H      -7.900832     -0.190749      7.358137
  H      -5.738932     -0.533040      7.970617
  H      -3.590119      0.370673      8.845087
  H      -5.691299      6.683911      8.472345
  H      -7.122337      5.627710      8.418664
  H      -7.803371      4.925887      6.207078
  H      -7.146854      3.785522      4.080740
  H      -3.596537      5.488094      7.063556
  H      -7.494735      3.380546      8.252937
  H      -2.219593     -3.395084      9.525075
  H      -3.587196     -2.255927      9.748340
  H      -3.903679     -3.975527      9.452057
  H      -1.480932     -3.641896      7.496352
  H       0.066929     -2.973004      5.827264
  H       0.499505     -2.844654      3.358463
  H      -3.169925     -2.930855      0.436728
  H      -4.954856     -3.087961      0.440318
  H      -6.399670     -1.145101      0.939859
  H      -6.569055      1.286250      1.475017
  H      -2.103312     -0.782350      1.216999
  H      -4.151684     -3.385969      4.998964
  H      -6.408905     -6.926967     13.473144
  H      -4.826776     -6.178237     13.209184
  H      -6.307825     -5.181351     13.095951
  H      -6.733594     -4.731884     11.029560
  H      -6.190810     -7.739859      8.899819
  H      -6.560558     -7.633830      6.421699
  H      -8.210896     -3.135167      4.643325
  H      -6.474376     -3.364532      4.719024
  H      -9.108252     -0.886784      4.111434
  H      -8.541495      1.470602      3.494915
  H      -5.008230     -1.387733      5.312342
  H      -7.087940     -3.522578      9.133807
  N      -3.748511      4.413800      1.826272
  H      -3.498719      5.327700      2.210440
  H      -4.703914      4.464881      1.465547
  H      -3.125736      4.174805      1.048965
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543635039642
  N      -2.964699      4.197826      4.669584
  Mo     -3.587558      2.699874      3.346131
  N      -4.318520      1.130275      4.541779
  C      -3.345384      0.300402      5.243801
  C      -2.168680      1.169058      5.602179
  N      -1.733578      1.920347      4.391373
  C      -0.888169      3.089332      4.779656
  C      -1.749472      4.149901      5.447494
  C      -0.950573      1.020431      3.490951
  C      -0.974648      1.591138      2.078974
  N      -2.327589      1.998341      1.750850
  H      -1.204120      5.111401      5.452051
  H      -1.952682      3.899286      6.505905
  H      -0.455857      3.493838      3.855493
  H      -0.064747      2.750862      5.432136
  H      -0.575095      0.846832      1.367650
  H      -0.322872      2.475262      2.004417
  H      -1.439202      0.038408      3.502614
  H       0.071784      0.896607      3.888273
  H      -3.760365     -0.119118      6.174341
  H      -3.031177     -0.569518      4.635181
  H      -2.478664      1.899952      6.359056
  H      -1.324430      0.582583      6.004413
  C     -10.281214      0.566878      6.809237
  C      -9.189158      1.504430      7.281267
  O      -9.387701      2.718843      7.392026
  N      -8.004180      0.883175      7.583995
  C      -6.825552      1.454621      8.078891
  C      -5.713830      0.608853      8.252662
  C      -4.512512      1.118529      8.734094
  C      -4.415508      2.467827      9.051838
  F      -3.206623      2.940846      9.456443
  C      -5.498776      3.340700      8.892461
  C      -5.384092      4.806501      9.174196
  O      -4.709200      5.246360     10.094551
  C      -6.106394      5.748172      8.194294
  C      -5.788906      5.337538      6.779152
  C      -6.791811      4.907602      5.891477
  C      -6.423547      4.253901      4.719406
  N      -5.142422      4.046733      4.394157
  C      -4.157178      4.564830      5.191941
  C      -4.451903      5.218678      6.400707
  C      -6.702839      2.812932      8.398954
  C      -3.209069     -3.530572      9.156641
  C      -3.286088     -3.173371      7.686960
  O      -4.256792     -2.582914      7.210902
  N      -2.207426     -3.581923      6.940276
  C      -1.997638     -3.407060      5.552715
  C      -0.673001     -3.261219      5.103667
  C      -0.423076     -3.126500      3.737827
  C      -1.482111     -3.115398      2.843459
  F      -1.150794     -3.008953      1.521005
  C      -2.827413     -3.240482      3.245437
  C      -4.031279     -3.264426      2.372664
  O      -5.114945     -3.654230      2.831609
  C      -3.996027     -2.685238      0.952158
  C      -4.155749     -1.189455      1.074533
  C      -5.445418     -0.610158      1.082136
  C      -5.578610      0.735381      1.372833
  N      -4.526459      1.544606      1.607150
  C      -3.260726      1.015547      1.512965
  C      -3.055351     -0.361253      1.280949
  C      -3.044375     -3.407023      4.634838
  C      -5.629195     -6.035999     12.807149
  C      -5.752467     -6.446219     11.352935
  O      -5.360738     -7.541291     10.950891
  N      -6.327983     -5.495055     10.540610
  C      -6.567551     -5.541864      9.153224
  C      -6.441505     -6.714217      8.384418
  C      -6.708344     -6.664686      7.017288
  C      -7.078786     -5.468281      6.418041
  F      -7.357591     -5.493091      5.089915
  C      -7.197650     -4.275312      7.149088
  C      -7.515246     -2.928911      6.595824
  O      -7.840551     -2.026192      7.377557
  C      -7.401962     -2.684659      5.104341
  C      -7.157916     -1.244364      4.744278
  C      -8.165778     -0.414237      4.234629
  C      -7.810666      0.889548      3.892690
  N      -6.578788      1.396176      3.990098
  C      -5.588944      0.606348      4.483993
  C      -5.877249     -0.726271      4.887632
  C      -6.947086     -4.353308      8.528980
  H     -10.660606      0.927094      5.843813
  H      -9.948092     -0.472642      6.705666
  H     -11.110659      0.613534      7.529485
  H      -7.954124     -0.126160      7.390204
  H      -5.784540     -0.447990      7.990037
  H      -3.639150      0.475318      8.850264
  H      -5.760649      6.764673      8.427382
  H      -7.192388      5.709213      8.371826
  H      -7.845607      4.984207      6.157783
  H      -7.165577      3.818486      4.052316
  H      -3.648015      5.532850      7.068498
  H      -7.566040      3.455206      8.254556
  H      -2.203387     -3.817786      9.490510
  H      -3.561449     -2.673942      9.744941
  H      -3.892953     -4.370554      9.346712
  H      -1.422570     -3.969716      7.455484
  H       0.154091     -3.258933      5.815908
  H       0.593471     -3.034343      3.354364
  H      -3.067245     -2.940280      0.431422
  H      -4.849724     -3.118068      0.415026
  H      -6.329180     -1.220842      0.898774
  H      -6.561328      1.201791      1.435905
  H      -2.047812     -0.772168      1.261563
  H      -4.070933     -3.539238      4.966358
  H      -6.131812     -6.790656     13.426958
  H      -4.565660     -6.040790     13.083485
  H      -6.053190     -5.048342     13.030286
  H      -6.577707     -4.616398     10.985603
  H      -6.139792     -7.643376      8.859855
  H      -6.636560     -7.562534      6.402872
  H      -8.334660     -3.052938      4.641333
  H      -6.600962     -3.308580      4.681415
  H      -9.187941     -0.772093      4.104217
  H      -8.573652      1.574985      3.502890
  H      -5.096991     -1.377590      5.274059
  H      -7.036471     -3.426368      9.099149
  N      -3.723953      4.419671      1.840825
  H      -3.472814      5.333917      2.223572
  H      -4.672510      4.476338      1.463641
  H      -3.090124      4.170644      1.075639
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543366911787
  N      -2.949057      4.170276      4.670548
  Mo     -3.580011      2.677792      3.343091
  N      -4.333312      1.115294      4.535984
  C      -3.373167      0.272586      5.240068
  C      -2.189244      1.128929      5.605917
  N      -1.739923      1.879215      4.399144
  C      -0.885406      3.039900      4.793218
  C      -1.739586      4.109268      5.455881
  C      -0.959555      0.973760      3.502445
  C      -0.970929      1.544957      2.090935
  N      -2.318833      1.960103      1.753739
  H      -1.183747      5.064780      5.464863
  H      -1.952317      3.860475      6.512938
  H      -0.444142      3.440182      3.871349
  H      -0.068871      2.693047      5.449921
  H      -0.571416      0.797758      1.382599
  H      -0.312744      2.424722      2.020203
  H      -1.455607     -0.004407      3.511102
  H       0.059792      0.841591      3.904846
  H      -3.797402     -0.144481      6.167788
  H      -3.066489     -0.600431      4.631751
  H      -2.496394      1.860929      6.362950
  H      -1.352790      0.533898      6.011853
  C     -10.323407      0.542691      6.962363
  C      -9.216538      1.485619      7.387334
  O      -9.417621      2.698356      7.510915
  N      -8.016148      0.870530      7.638150
  C      -6.822161      1.447197      8.087245
  C      -5.698821      0.608362      8.211348
  C      -4.485306      1.121865      8.656855
  C      -4.387007      2.468584      8.985663
  F      -3.168630      2.946160      9.355129
  C      -5.480163      3.335956      8.868142
  C      -5.365728      4.800513      9.155723
  O      -4.675877      5.237715     10.066339
  C      -6.090538      5.744946      8.180470
  C      -5.772869      5.337311      6.764249
  C      -6.775356      4.915466      5.872181
  C      -6.407279      4.260673      4.700534
  N      -5.126414      4.042150      4.381458
  C      -4.140521      4.551121      5.184338
  C      -4.435557      5.209595      6.390546
  C      -6.696929      2.803779      8.412681
  C      -3.235884     -3.376992      9.254664
  C      -3.310911     -3.050443      7.777583
  O      -4.275716     -2.459818      7.290674
  N      -2.233514     -3.477154      7.039460
  C      -2.021844     -3.326174      5.649125
  C      -0.697351     -3.178249      5.200508
  C      -0.445519     -3.063207      3.833237
  C      -1.502440     -3.077532      2.936490
  F      -1.170780     -2.986725      1.612953
  C      -2.847041     -3.209663      3.336755
  C      -4.045858     -3.258278      2.457660
  O      -5.131173     -3.647505      2.913313
  C      -3.990294     -2.728580      1.018609
  C      -4.146531     -1.229894      1.091240
  C      -5.433277     -0.645950      1.051434
  C      -5.568298      0.706166      1.306690
  N      -4.519189      1.514566      1.560266
  C      -3.253256      0.978969      1.512500
  C      -3.047901     -0.401639      1.305112
  C      -3.066745     -3.350701      4.728712
  C      -5.503741     -6.052425     12.681158
  C      -5.672264     -6.460294     11.230916
  O      -5.300947     -7.559114     10.819698
  N      -6.267128     -5.507112     10.435140
  C      -6.547434     -5.552911      9.055281
  C      -6.435779     -6.722028      8.278992
  C      -6.736721     -6.667806      6.919105
  C      -7.126559     -5.470742      6.333793
  F      -7.434103     -5.491515      5.011914
  C      -7.235260     -4.281350      7.072702
  C      -7.566371     -2.933907      6.532271
  O      -7.877964     -2.034783      7.323880
  C      -7.453322     -2.673620      5.043544
  C      -7.195641     -1.231416      4.701887
  C      -8.192761     -0.387045      4.194580
  C      -7.825619      0.918866      3.874340
  N      -6.589985      1.413133      3.985372
  C      -5.609798      0.607829      4.474248
  C      -5.912120     -0.725875      4.861015
  C      -6.951416     -4.364716      8.445913
  H     -10.743695      0.898984      6.012549
  H      -9.990887     -0.495762      6.847019
  H     -11.122820      0.588120      7.715836
  H      -7.967631     -0.137062      7.438008
  H      -5.770786     -0.446717      7.941218
  H      -3.604347      0.483677      8.737364
  H      -5.743676      6.760495      8.415761
  H      -7.176401      5.706071      8.358906
  H      -7.829614      4.998319      6.134635
  H      -7.149607      3.830779      4.030519
  H      -3.632074      5.516418      7.062220
  H      -7.569800      3.440195      8.306131
  H      -2.234880     -3.674620      9.593275
  H      -3.572860     -2.502790      9.826119
  H      -3.934721     -4.200647      9.463498
  H      -1.450979     -3.858468      7.562906
  H       0.127863     -3.156041      5.914586
  H       0.571084     -2.967195      3.450871
  H      -3.053319     -3.002520      0.522203
  H      -4.836253     -3.177187      0.481953
  H      -6.314493     -1.257788      0.860035
  H      -6.550002      1.177199      1.335109
  H      -2.042040     -0.817802      1.321862
  H      -4.092847     -3.486478      5.059747
  H      -6.034228     -6.778841     13.311915
  H      -4.437342     -6.114285     12.938098
  H      -5.870725     -5.043721     12.910812
  H      -6.503724     -4.628548     10.887430
  H      -6.117256     -7.651435      8.742524
  H      -6.675299     -7.562977      6.299656
  H      -8.389923     -3.028028      4.577554
  H      -6.657280     -3.297730      4.612189
  H      -9.216088     -0.735285      4.050586
  H      -8.580370      1.615219      3.487546
  H      -5.139431     -1.388569      5.243198
  H      -7.030600     -3.440383      9.021939
  N      -3.686561      4.399731      1.837812
  H      -3.428626      5.311470      2.222178
  H      -4.632199      4.466637      1.455044
  H      -3.050344      4.144804      1.076609
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543741203596
  N      -2.950623      4.176256      4.668199
  Mo     -3.578205      2.685248      3.338683
  N      -4.316832      1.116136      4.530262
  C      -3.348312      0.276881      5.227021
  C      -2.167640      1.138580      5.590228
  N      -1.728681      1.894346      4.383286
  C      -0.879016      3.058607      4.776761
  C      -1.736548      4.120752      5.447139
  C      -0.947939      0.994758      3.480665
  C      -0.969349      1.568802      2.070333
  N      -2.320998      1.979357      1.742924
  H      -1.186982      5.079844      5.455461
  H      -1.941807      3.867681      6.504570
  H      -0.443971      3.464364      3.854342
  H      -0.057698      2.714484      5.428929
  H      -0.571188      0.824548      1.358117
  H      -0.315424      2.451534      1.997742
  H      -1.439589      0.014398      3.489383
  H       0.073815      0.866654      3.878163
  H      -3.765709     -0.145747      6.155035
  H      -3.038189     -0.591584      4.613693
  H      -2.474610      1.866743      6.350916
  H      -1.326002      0.546465      5.989602
  C     -10.299372      0.569350      6.829882
  C      -9.199313      1.501424      7.294312
  O      -9.388821      2.717966      7.397727
  N      -8.018412      0.873230      7.598797
  C      -6.836070      1.438578      8.091399
  C      -5.731421      0.585044      8.272136
  C      -4.527929      1.087582      8.755714
  C      -4.421069      2.437860      9.066462
  F      -3.209972      2.902857      9.474072
  C      -5.496604      3.318706      8.897823
  C      -5.371124      4.784755      9.172745
  O      -4.702580      5.223130     10.098613
  C      -6.091349      5.728396      8.192987
  C      -5.773314      5.320254      6.777006
  C      -6.776436      4.896810      5.886543
  C      -6.409024      4.246561      4.712239
  N      -5.128233      4.035981      4.388104
  C      -4.142219      4.547413      5.189254
  C      -4.436198      5.199069      6.399484
  C      -6.703486      2.797624      8.404490
  C      -3.269823     -3.452192      9.208076
  C      -3.342392     -3.107255      7.735261
  O      -4.310405     -2.517919      7.252666
  N      -2.259174     -3.517485      6.996003
  C      -2.042388     -3.351243      5.608060
  C      -0.716159     -3.193259      5.167752
  C      -0.457502     -3.062887      3.803147
  C      -1.509444     -3.071752      2.900640
  F      -1.171060     -2.964552      1.580025
  C      -2.855577     -3.214547      3.292292
  C      -4.049203     -3.259825      2.406435
  O      -5.135484     -3.656617      2.853700
  C      -3.994667     -2.705658      0.976789
  C      -4.152163     -1.208272      1.075651
  C      -5.440173     -0.625523      1.062954
  C      -5.573119      0.722341      1.341654
  N      -4.520969      1.529807      1.584713
  C      -3.255184      0.997092      1.507071
  C      -3.051423     -0.381477      1.285535
  C      -3.082222     -3.371226      4.681782
  C      -5.514543     -6.030012     12.741634
  C      -5.669433     -6.441021     11.290722
  O      -5.289940     -7.538243     10.882811
  N      -6.259619     -5.489510     10.489387
  C      -6.533825     -5.538473      9.108452
  C      -6.420530     -6.709877      8.336053
  C      -6.717408     -6.659896      6.975129
  C      -7.104283     -5.464175      6.384935
  F      -7.408218     -5.488408      5.062369
  C      -7.212499     -4.272337      7.119628
  C      -7.538645     -2.925422      6.573498
  O      -7.854690     -2.024458      7.361204
  C      -7.429853     -2.674350      5.082912
  C      -7.175081     -1.234267      4.729565
  C      -8.176412     -0.393703      4.223748
  C      -7.811690      0.909144      3.889099
  N      -6.575595      1.404963      3.987041
  C      -5.591850      0.604241      4.475739
  C      -5.890205     -0.727176      4.874784
  C      -6.933363     -4.351363      8.493930
  H     -10.672008      0.921529      5.858822
  H      -9.976468     -0.474643      6.739671
  H     -11.130541      0.633437      7.546687
  H      -7.975749     -0.137341      7.410176
  H      -5.809715     -0.472851      8.014650
  H      -3.660131      0.438243      8.879291
  H      -5.743696      6.743775      8.427932
  H      -7.177611      5.691488      8.369441
  H      -7.830327      4.975942      6.151792
  H      -7.151438      3.815333      4.043163
  H      -3.632099      5.508168      7.069366
  H      -7.561465      3.445728      8.254857
  H      -2.265751     -3.739000      9.547156
  H      -3.621848     -2.589867      9.788399
  H      -3.956563     -4.288893      9.403365
  H      -1.475220     -3.897626      7.518200
  H       0.105348     -3.175334      5.886204
  H       0.560630     -2.958443      3.427107
  H      -3.058530     -2.969373      0.473440
  H      -4.841368     -3.146378      0.434881
  H      -6.323524     -1.235901      0.876802
  H      -6.555241      1.190896      1.394089
  H      -2.044767     -0.795949      1.280700
  H      -4.109662     -3.514186      5.005952
  H      -6.041641     -6.761030     13.369779
  H      -4.449483     -6.078775     13.006879
  H      -5.895362     -5.025184     12.965895
  H      -6.498384     -4.609913     10.938651
  H      -6.104378     -7.638110      8.803729
  H      -6.654702     -7.556780      6.358309
  H      -8.366938     -3.033589      4.621559
  H      -6.634542     -3.301283      4.653907
  H      -9.201067     -0.742937      4.091689
  H      -8.569317      1.602149      3.502067
  H      -5.114382     -1.385809      5.258444
  H      -7.012232     -3.424850      9.066341
  N      -3.699834      4.411815      1.839641
  H      -3.443875      5.323049      2.226427
  H      -4.647060      4.476107      1.460328
  H      -3.065657      4.161825      1.075077
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543317591724
  N      -2.973449      4.221023      4.665114
  Mo     -3.593507      2.717176      3.346627
  N      -4.303439      1.144162      4.549516
  C      -3.318511      0.323939      5.246426
  C      -2.146999      1.202729      5.595805
  N      -1.726228      1.954450      4.380287
  C      -0.886838      3.130467      4.759750
  C      -1.751771      4.184349      5.433205
  C      -0.943829      1.057521      3.476659
  C      -0.982039      1.623369      2.063191
  N      -2.339716      2.021779      1.744830
  H      -1.214460      5.150406      5.432793
  H      -1.944666      3.933072      6.493432
  H      -0.465556      3.537027      3.831315
  H      -0.055445      2.799403      5.405815
  H      -0.583748      0.878860      1.351265
  H      -0.335951      2.510959      1.980565
  H      -1.426332      0.073053      3.495546
  H       0.082271      0.941039      3.866432
  H      -3.723515     -0.098719      6.179636
  H      -3.000198     -0.543214      4.635627
  H      -2.458051      1.932433      6.353448
  H      -1.295139      0.624285      5.993649
  C     -10.250618      0.515775      6.838718
  C      -9.160376      1.460782      7.299629
  O      -9.375567      2.669031      7.443288
  N      -7.958790      0.851846      7.558462
  C      -6.779025      1.431375      8.041096
  C      -5.650412      0.600505      8.174908
  C      -4.449232      1.118991      8.647651
  C      -4.368118      2.462298      8.994654
  F      -3.159679      2.945815      9.388784
  C      -5.467545      3.320830      8.872748
  C      -5.370671      4.782566      9.180409
  O      -4.682579      5.215964     10.094135
  C      -6.103951      5.730647      8.215283
  C      -5.793108      5.333941      6.794525
  C      -6.798077      4.899048      5.911756
  C      -6.432051      4.250146      4.736274
  N      -5.151248      4.053402      4.403235
  C      -4.165364      4.578569      5.195077
  C      -4.457543      5.228532      6.406567
  C      -6.671570      2.784326      8.388733
  C      -3.266590     -3.473095      9.154280
  C      -3.332971     -3.133601      7.679990
  O      -4.291497     -2.531953      7.193873
  N      -2.259993     -3.573752      6.942637
  C      -2.037648     -3.418905      5.554409
  C      -0.707277     -3.303961      5.114079
  C      -0.444328     -3.188749      3.748938
  C      -1.495846     -3.163325      2.846214
  F      -1.151387     -3.081585      1.525377
  C      -2.846699     -3.254751      3.238818
  C      -4.045117     -3.257994      2.357927
  O      -5.137749     -3.632664      2.808352
  C      -3.994555     -2.668666      0.941906
  C      -4.158144     -1.173647      1.074707
  C      -5.449841     -0.598735      1.087385
  C      -5.587919      0.744132      1.387200
  N      -4.537523      1.557124      1.619348
  C      -3.269618      1.033662      1.516025
  C      -3.059969     -0.342198      1.281519
  C      -3.077270     -3.406936      4.628095
  C      -5.711336     -6.057763     12.843567
  C      -5.810203     -6.462838     11.386050
  O      -5.414699     -7.558355     10.988925
  N      -6.368501     -5.508808     10.565060
  C      -6.584388     -5.553439      9.173626
  C      -6.438604     -6.722920      8.403543
  C      -6.681039     -6.669958      7.031949
  C      -7.045278     -5.473161      6.429719
  F      -7.299927     -5.494175      5.096699
  C      -7.182339     -4.283060      7.161961
  C      -7.492213     -2.937642      6.605154
  O      -7.849335     -2.040414      7.380284
  C      -7.360364     -2.695127      5.114379
  C      -7.123426     -1.254014      4.751918
  C      -8.132637     -0.436283      4.225275
  C      -7.786904      0.869105      3.880581
  N      -6.560978      1.386907      3.986569
  C      -5.568642      0.608302      4.493481
  C      -5.848391     -0.723970      4.904829
  C      -6.958127     -4.364784      8.546174
  H     -10.659086      0.886468      5.889266
  H      -9.905310     -0.516818      6.709271
  H     -11.062458      0.538869      7.579897
  H      -7.898423     -0.153068      7.340673
  H      -5.707681     -0.451317      7.889201
  H      -3.563468      0.488241      8.734221
  H      -5.762114      6.746712      8.455966
  H      -7.188450      5.683428      8.399609
  H      -7.850702      4.965171      6.185485
  H      -7.174509      3.808717      4.073733
  H      -3.651878      5.547061      7.070166
  H      -7.547259      3.415565      8.273271
  H      -2.269092     -3.780671      9.494198
  H      -3.599776     -2.601349      9.731622
  H      -3.971183     -4.293682      9.352924
  H      -1.486672     -3.972433      7.466868
  H       0.114314     -3.311585      5.832586
  H       0.576967     -3.122807      3.372743
  H      -3.061182     -2.919538      0.427712
  H      -4.842993     -3.098251      0.393879
  H      -6.331702     -1.212137      0.903951
  H      -6.572406      1.205477      1.458857
  H      -2.050980     -0.748658      1.253627
  H      -4.109158     -3.514000      4.952896
  H      -6.270797     -6.785916     13.446565
  H      -4.658681     -6.118352     13.152043
  H      -6.091107     -5.050146     13.056539
  H      -6.627568     -4.631553     11.007336
  H      -6.141536     -7.652358      8.881360
  H      -6.594916     -7.565826      6.416469
  H      -8.284395     -3.071854      4.640741
  H      -6.548899     -3.313336      4.702875
  H      -9.149544     -0.804388      4.085550
  H      -8.552272      1.545268      3.479535
  H      -5.065292     -1.365355      5.302553
  H      -7.062961     -3.440196      9.117436
  N      -3.749863      4.435325      1.841183
  H      -3.503980      5.351741      2.222248
  H      -4.700764      4.484889      1.468939
  H      -3.117567      4.191047      1.073271
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543797436882
  N      -2.957201      4.191757      4.663019
  Mo     -3.581012      2.695362      3.337440
  N      -4.305587      1.124086      4.534211
  C      -3.329311      0.291853      5.228506
  C      -2.152606      1.161035      5.586193
  N      -1.722539      1.917341      4.376373
  C      -0.878312      3.087095      4.764883
  C      -1.739822      4.144612      5.437276
  C      -0.940105      1.020748      3.472262
  C      -0.970079      1.592251      2.061078
  N      -2.325013      1.995989      1.738472
  H      -1.196201      5.107107      5.442570
  H      -1.939587      3.891320      6.495743
  H      -0.449432      3.494246      3.840201
  H      -0.052385      2.748704      5.414200
  H      -0.571039      0.849035      1.348263
  H      -0.320860      2.478123      1.984704
  H      -1.426413      0.037970      3.484617
  H       0.083872      0.898758      3.865963
  H      -3.740368     -0.132543      6.158497
  H      -3.016002     -0.574966      4.614399
  H      -2.461095      1.888490      6.347005
  H      -1.306030      0.574515      5.983438
  C     -10.290041      0.540144      6.863794
  C      -9.190359      1.477275      7.318823
  O      -9.387837      2.691497      7.434395
  N      -8.001164      0.855505      7.603457
  C      -6.816960      1.426193      8.085362
  C      -5.703275      0.580262      8.245974
  C      -4.497846      1.089065      8.718181
  C      -4.398068      2.437672      9.038547
  F      -3.185607      2.909302      9.434335
  C      -5.482611      3.311003      8.889931
  C      -5.366117      4.775947      9.174586
  O      -4.687008      5.213055     10.093330
  C      -6.092798      5.721078      8.201161
  C      -5.778587      5.318241      6.782822
  C      -6.782617      4.889622      5.895843
  C      -6.415766      4.241460      4.720166
  N      -5.134926      4.038030      4.391549
  C      -4.149036      4.555676      5.188556
  C      -4.442272      5.205449      6.399963
  C      -6.690964      2.783975      8.406582
  C      -3.269548     -3.448686      9.183434
  C      -3.342083     -3.107479      7.709835
  O      -4.308602     -2.516817      7.225954
  N      -2.261518     -3.525919      6.971267
  C      -2.042533     -3.363788      5.583220
  C      -0.714881     -3.214057      5.144707
  C      -0.453155     -3.088394      3.780332
  C      -1.503703     -3.091265      2.876242
  F      -1.161668     -2.990904      1.556077
  C      -2.851633     -3.223172      3.266168
  C      -4.044754     -3.258991      2.378999
  O      -5.133172     -3.652546      2.823832
  C      -3.989184     -2.691422      0.954489
  C      -4.149605     -1.194946      1.066502
  C      -5.438929     -0.614932      1.061413
  C      -5.574147      0.731185      1.347591
  N      -4.522982      1.540362      1.589137
  C      -3.256434      1.010822      1.504265
  C      -3.050054     -0.366581      1.277275
  C      -3.081122     -3.378872      4.655411
  C      -5.616136     -6.036172     12.789975
  C      -5.740358     -6.445337     11.335617
  O      -5.349333     -7.540755     10.933813
  N      -6.317728     -5.494923     10.523649
  C      -6.562550     -5.543156      9.137153
  C      -6.429960     -6.713619      8.366331
  C      -6.699546     -6.663518      6.999714
  C      -7.077675     -5.468430      6.402631
  F      -7.356893     -5.492525      5.074638
  C      -7.203114     -4.277310      7.135640
  C      -7.524056     -2.931912      6.583644
  O      -7.858029     -2.031987      7.365405
  C      -7.399054     -2.683421      5.093709
  C      -7.150409     -1.242504      4.738689
  C      -8.154680     -0.410379      4.225022
  C      -7.797525      0.894042      3.888632
  N      -6.565013      1.397798      3.988986
  C      -5.577612      0.604574      4.482774
  C      -5.869276     -0.726566      4.888110
  C      -6.951694     -4.356430      8.515265
  H     -10.680117      0.896821      5.901267
  H      -9.960276     -0.500508      6.760745
  H     -11.110796      0.592298      7.593477
  H      -7.954418     -0.153852      7.407921
  H      -5.775292     -0.476172      7.980806
  H      -3.623040      0.446250      8.825471
  H      -5.747182      6.736695      8.438146
  H      -7.178191      5.680143      8.381882
  H      -7.835937      4.962152      6.165219
  H      -7.158160      3.805672      4.053985
  H      -3.637457      5.518878      7.066978
  H      -7.555748      3.426310      8.272170
  H      -2.266433     -3.738689      9.522486
  H      -3.618216     -2.584010      9.762254
  H      -3.959136     -4.282420      9.380741
  H      -1.480000     -3.909584      7.494538
  H       0.105615     -3.200108      5.864394
  H       0.566341     -2.992030      3.405820
  H      -3.052518     -2.949142      0.449415
  H      -4.834796     -3.128579      0.407997
  H      -6.321471     -1.226223      0.874359
  H      -6.557145      1.197224      1.405223
  H      -2.042462     -0.778358      1.265536
  H      -4.110081     -3.515078      4.978221
  H      -6.155514     -6.768682     13.405855
  H      -4.556838     -6.084349     13.077272
  H      -6.002478     -5.032065     13.007862
  H      -6.570143     -4.617279     10.969203
  H      -6.121056     -7.641444      8.839646
  H      -6.622997     -7.560117      6.384035
  H      -8.329293     -3.048983      4.623649
  H      -6.595678     -3.306678      4.674342
  H      -9.176365     -0.766886      4.089262
  H      -8.558255      1.581131      3.497182
  H      -5.090879     -1.377878      5.278856
  H      -7.046107     -3.430880      9.086857
  N      -3.719647      4.419411      1.836817
  H      -3.468027      5.332826      2.221325
  H      -4.668870      4.477381      1.461478
  H      -3.086861      4.172733      1.070046
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543581358036
  N      -2.951450      4.179322      4.657068
  Mo     -3.590441      2.692614      3.328698
  N      -4.327815      1.126180      4.524015
  C      -3.358048      0.284846      5.216864
  C      -2.172308      1.143416      5.572412
  N      -1.737625      1.896578      4.361957
  C      -0.881717      3.058097      4.749644
  C      -1.731596      4.122104      5.426515
  C      -0.963669      0.994855      3.455961
  C      -0.992250      1.567915      2.045311
  N      -2.345327      1.979839      1.724942
  H      -1.180169      5.080167      5.429682
  H      -1.928524      3.870077      6.485808
  H      -0.451664      3.462776      3.824422
  H      -0.057029      2.711496      5.396264
  H      -0.600381      0.821263      1.332112
  H      -0.336820      2.449032      1.967067
  H      -1.457230      0.015619      3.467378
  H       0.059726      0.865093      3.848602
  H      -3.771856     -0.135322      6.147488
  H      -3.054034     -0.585292      4.603019
  H      -2.472813      1.873372      6.333947
  H      -1.330093      0.549308      5.967436
  C     -10.267036      0.563425      6.793133
  C      -9.170143      1.493021      7.269748
  O      -9.365338      2.706915      7.393473
  N      -7.983894      0.866340      7.554647
  C      -6.802948      1.429307      8.053193
  C      -5.694267      0.577641      8.219066
  C      -4.491153      1.078673      8.704976
  C      -4.388509      2.424899      9.034345
  F      -3.177866      2.888844      9.444547
  C      -5.468081      3.303740      8.881295
  C      -5.347724      4.766276      9.175559
  O      -4.671135      5.195695     10.099866
  C      -6.068523      5.720758      8.206434
  C      -5.758895      5.323349      6.785701
  C      -6.767711      4.909728      5.897137
  C      -6.408631      4.263489      4.718074
  N      -5.130242      4.047645      4.388001
  C      -4.138726      4.552303      5.186502
  C      -4.423973      5.199967      6.400861
  C      -6.674368      2.784573      8.384103
  C      -3.308872     -3.385933      9.291688
  C      -3.375565     -3.053040      7.815717
  O      -4.345130     -2.474311      7.323214
  N      -2.289514     -3.468094      7.083995
  C      -2.068292     -3.315004      5.695430
  C      -0.739974     -3.167628      5.257621
  C      -0.476544     -3.054798      3.892388
  C      -1.525757     -3.069041      2.986764
  F      -1.181998     -2.983380      1.666011
  C      -2.874233     -3.198408      3.375976
  C      -4.065348     -3.253304      2.487551
  O      -5.153110     -3.641440      2.939098
  C      -4.008296     -2.722052      1.048653
  C      -4.170718     -1.223628      1.121506
  C      -5.461103     -0.646523      1.107513
  C      -5.598031      0.705120      1.364219
  N      -4.547598      1.521438      1.585810
  C      -3.279590      0.993047      1.506046
  C      -3.072149     -0.388444      1.307152
  C      -3.105414     -3.338819      4.766554
  C      -5.468590     -6.085432     12.681284
  C      -5.637893     -6.485536     11.228889
  O      -5.278266     -7.586022     10.812069
  N      -6.222719     -5.521856     10.438139
  C      -6.514955     -5.561423      9.060656
  C      -6.423312     -6.730206      8.281448
  C      -6.738204     -6.671027      6.925010
  C      -7.121688     -5.468941      6.345462
  F      -7.444693     -5.484829      5.027339
  C      -7.208007     -4.279451      7.086890
  C      -7.528084     -2.926304      6.552443
  O      -7.815071     -2.024902      7.350846
  C      -7.436830     -2.668682      5.062284
  C      -7.183749     -1.227901      4.711841
  C      -8.186216     -0.385254      4.211194
  C      -7.822519      0.918840      3.882265
  N      -6.586428      1.414539      3.981280
  C      -5.601868      0.612157      4.465190
  C      -5.899004     -0.721466      4.857490
  C      -6.911308     -4.367748      8.457003
  H     -10.641944      0.927866      5.827473
  H      -9.939875     -0.477857      6.687816
  H     -11.097659      0.614054      7.511635
  H      -7.938474     -0.142433      7.353052
  H      -5.769549     -0.476653      7.946782
  H      -3.620172      0.431468      8.816540
  H      -5.714694      6.732454      8.448070
  H      -7.154025      5.687376      8.388133
  H      -7.820037      4.992357      6.167499
  H      -7.155868      3.839768      4.049643
  H      -3.615469      5.502467      7.068434
  H      -7.535222      3.431289      8.246031
  H      -2.303177     -3.656053      9.639652
  H      -3.675683     -2.522984      9.861829
  H      -3.985387     -4.230252      9.490122
  H      -1.506371     -3.841180      7.612516
  H       0.079582     -3.147025      5.978221
  H       0.543298     -2.961547      3.517992
  H      -3.071189     -2.991665      0.550642
  H      -4.852989     -3.173829      0.512730
  H      -6.343122     -1.263682      0.938158
  H      -6.582290      1.169037      1.417096
  H      -2.063999     -0.799099      1.304436
  H      -4.134307     -3.474059      5.089750
  H      -6.021829     -6.799255     13.307004
  H      -4.406171     -6.172811     12.946613
  H      -5.814772     -5.068805     12.908509
  H      -6.443437     -4.640789     10.893765
  H      -6.110464     -7.663675      8.740891
  H      -6.692693     -7.565342      6.302970
  H      -8.377875     -3.026692      4.608210
  H      -6.646295     -3.294294      4.622574
  H      -9.210475     -0.733897      4.077299
  H      -8.581069      1.613409      3.499796
  H      -5.123290     -1.381267      5.238434
  H      -6.973582     -3.442976      9.034296
  N      -3.708479      4.421797      1.831686
  H      -3.446159      5.330587      2.219759
  H      -4.655864      4.491944      1.453893
  H      -3.077244      4.168336      1.065801
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543813203362
  N      -2.954052      4.185151      4.662297
  Mo     -3.581008      2.692066      3.334258
  N      -4.311036      1.121857      4.529151
  C      -3.337522      0.285607      5.222316
  C      -2.158857      1.151126      5.582577
  N      -1.725485      1.907946      4.374162
  C      -0.878398      3.074855      4.764905
  C      -1.737539      4.134029      5.437542
  C      -0.944033      1.010585      3.470037
  C      -0.971626      1.583534      2.059342
  N      -2.325607      1.989844      1.735827
  H      -1.191313      5.095041      5.444062
  H      -1.938771      3.880391      6.495672
  H      -0.447377      3.481766      3.841109
  H      -0.054102      2.733394      5.414681
  H      -0.573596      0.839953      1.346336
  H      -0.320591      2.468164      1.984065
  H      -1.432419      0.028740      3.480922
  H       0.079259      0.886160      3.864730
  H      -3.750507     -0.139688      6.151077
  H      -3.026140     -0.580709      4.606667
  H      -2.466236      1.878227      6.344175
  H      -1.314229      0.561801      5.979737
  C     -10.292825      0.547779      6.854889
  C      -9.191966      1.482962      7.311201
  O      -9.388963      2.696868      7.431369
  N      -8.002629      0.859730      7.591504
  C      -6.817891      1.428050      8.074614
  C      -5.704928      0.580657      8.232583
  C      -4.498922      1.087097      8.705668
  C      -4.397774      2.434671      9.030121
  F      -3.184805      2.904189      9.427029
  C      -5.481548      3.309379      8.883982
  C      -5.363666      4.773428      9.171539
  O      -4.685072      5.208322     10.091743
  C      -6.088246      5.720872      8.198837
  C      -5.773987      5.318395      6.780433
  C      -6.778369      4.894121      5.891778
  C      -6.412354      4.246311      4.715628
  N      -5.131809      4.038819      4.388256
  C      -4.145225      4.552176      5.187083
  C      -4.437646      5.201275      6.399062
  C      -6.690493      2.784791      8.399418
  C      -3.277833     -3.431061      9.211167
  C      -3.349789     -3.092815      7.736814
  O      -4.319161     -2.509093      7.250187
  N      -2.265786     -3.505967      7.000498
  C      -2.046193     -3.344619      5.612516
  C      -0.718932     -3.189122      5.174811
  C      -0.456805     -3.064861      3.810353
  C      -1.506642     -3.074965      2.905433
  F      -1.163806     -2.975853      1.585395
  C      -2.854359     -3.212215      3.294682
  C      -4.046942     -3.256474      2.407257
  O      -5.134433     -3.649723      2.854678
  C      -3.992307     -2.699931      0.978224
  C      -4.152182     -1.202701      1.078853
  C      -5.441274     -0.622237      1.071290
  C      -5.575780      0.725638      1.349245
  N      -4.524234      1.535777      1.586164
  C      -3.257951      1.005094      1.503675
  C      -3.052250     -0.373454      1.283281
  C      -3.083945     -3.365910      4.684095
  C      -5.568526     -6.054786     12.760285
  C      -5.710975     -6.460440     11.306619
  O      -5.333038     -7.558336     10.899133
  N      -6.289574     -5.504269     10.502288
  C      -6.551085     -5.548934      9.118715
  C      -6.435600     -6.719161      8.344763
  C      -6.720833     -6.665202      6.981488
  C      -7.097897     -5.466731      6.390551
  F      -7.392414     -5.486922      5.065822
  C      -7.206722     -4.275870      7.126668
  C      -7.523700     -2.927345      6.580204
  O      -7.843794     -2.026640      7.366953
  C      -7.413004     -2.677864      5.089403
  C      -7.161414     -1.237851      4.733134
  C      -8.165046     -0.401908      4.224408
  C      -7.804997      0.901767      3.888318
  N      -6.570761      1.401972      3.986218
  C      -5.584229      0.605214      4.475955
  C      -5.878140     -0.726374      4.878023
  C      -6.939751     -4.358772      8.503165
  H     -10.683483      0.907006      5.893548
  H      -9.963915     -0.492880      6.749112
  H     -11.112905      0.598863      7.585410
  H      -7.956867     -0.149453      7.393509
  H      -5.777888     -0.475032      7.965119
  H      -3.624770      0.443081      8.810715
  H      -5.740256      6.735434      8.436861
  H      -7.173799      5.682221      8.379107
  H      -7.831781      4.970276      6.159784
  H      -7.155462      3.814672      4.047624
  H      -3.632555      5.511199      7.067373
  H      -7.554683      3.428314      8.266924
  H      -2.273314     -3.713049      9.552820
  H      -3.633964     -2.567878      9.787668
  H      -3.961725     -4.269531      9.408605
  H      -1.482684     -3.884209      7.525370
  H       0.100934     -3.169901      5.895093
  H       0.562498     -2.964366      3.436394
  H      -3.056103     -2.961704      0.474510
  H      -4.838359     -3.141032      0.435585
  H      -6.324212     -1.234316      0.888674
  H      -6.558662      1.192187      1.404560
  H      -2.044945     -0.785979      1.274430
  H      -4.112454     -3.505948      5.006631
  H      -6.118260     -6.776841     13.379497
  H      -4.508510     -6.124525     13.040189
  H      -5.933504     -5.043461     12.981555
  H      -6.530148     -4.625299     10.951766
  H      -6.127415     -7.649732      8.813112
  H      -6.657400     -7.561319      6.363623
  H      -8.348906     -3.039586      4.627630
  H      -6.615992     -3.303847      4.662008
  H      -9.188314     -0.754982      4.091660
  H      -8.565126      1.591907      3.501044
  H      -5.100301     -1.380997      5.264264
  H      -7.020896     -3.433360      9.076995
  N      -3.711910      4.418024      1.834997
  H      -3.457776      5.330125      2.220928
  H      -4.660298      4.479602      1.458122
  H      -3.078738      4.169867      1.069021
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543704808661
  N      -2.965457      4.192381      4.664267
  Mo     -3.589988      2.695076      3.339275
  N      -4.318331      1.125812      4.536606
  C      -3.343680      0.292516      5.231658
  C      -2.166859      1.160786      5.591312
  N      -1.733696      1.915800      4.381698
  C      -0.888468      3.084759      4.770523
  C      -1.749501      4.144120      5.440555
  C      -0.951114      1.017338      3.479637
  C      -0.979241      1.586795      2.067531
  N      -2.333319      1.991866      1.742608
  H      -1.204461      5.105826      5.445997
  H      -1.951394      3.891989      6.498923
  H      -0.457614      3.490358      3.846055
  H      -0.063997      2.745687      5.421305
  H      -0.580440      0.842119      1.356104
  H      -0.328796      2.471732      1.990583
  H      -1.438275      0.035043      3.493058
  H       0.072350      0.895004      3.874520
  H      -3.756246     -0.132480      6.160689
  H      -3.030175     -0.573981      4.617425
  H      -2.476148      1.888917      6.351161
  H      -1.321601      0.573670      5.990449
  C     -10.217504      0.499317      6.840521
  C      -9.134923      1.452987      7.302503
  O      -9.348084      2.665760      7.405193
  N      -7.942366      0.847315      7.606481
  C      -6.770345      1.435001      8.097271
  C      -5.649158      0.602671      8.275521
  C      -4.453994      1.128443      8.754770
  C      -4.372009      2.480504      9.065480
  F      -3.168674      2.968877      9.469106
  C      -5.464756      3.340424      8.900302
  C      -5.366369      4.808432      9.174803
  O      -4.698813      5.259485     10.095284
  C      -6.102785      5.738717      8.194403
  C      -5.787351      5.327426      6.778728
  C      -6.791121      4.895632      5.892928
  C      -6.424100      4.245570      4.718406
  N      -5.143225      4.041194      4.390499
  C      -4.157422      4.559366      5.187318
  C      -4.450891      5.212249      6.397139
  C      -6.662659      2.796475      8.409581
  C      -3.283479     -3.430695      9.202529
  C      -3.351707     -3.093723      7.727738
  O      -4.310467     -2.492270      7.241756
  N      -2.276495     -3.527627      6.990445
  C      -2.056333     -3.371632      5.601907
  C      -0.727709     -3.234887      5.162255
  C      -0.465840     -3.115646      3.797294
  C      -1.517028     -3.111801      2.893871
  F      -1.174463     -3.020166      1.573211
  C      -2.866004     -3.229644      3.285145
  C      -4.060518     -3.257622      2.399525
  O      -5.150860     -3.643543      2.846371
  C      -4.002165     -2.696394      0.972365
  C      -4.160268     -1.199098      1.076807
  C      -5.448988     -0.617806      1.067635
  C      -5.583504      0.729549      1.347760
  N      -4.532020      1.538723      1.588490
  C      -3.265720      1.007458      1.508304
  C      -3.060200     -0.370822      1.285366
  C      -3.095572     -3.379820      4.674922
  C      -5.600833     -6.043627     12.761482
  C      -5.728332     -6.450542     11.306809
  O      -5.337174     -7.545064     10.902675
  N      -6.309922     -5.500251     10.497700
  C      -6.560019     -5.547691      9.112093
  C      -6.426409     -6.716566      8.338976
  C      -6.700851     -6.665176      6.973345
  C      -7.084914     -5.470430      6.379415
  F      -7.368218     -5.493074      5.052271
  C      -7.212041     -4.280979      7.114848
  C      -7.538596     -2.935927      6.566061
  O      -7.871399     -2.037895      7.350608
  C      -7.413166     -2.683199      5.076983
  C      -7.163702     -1.241383      4.726364
  C      -8.166597     -0.407838      4.212405
  C      -7.808343      0.897273      3.879922
  N      -6.576100      1.400647      3.985336
  C      -5.590253      0.606427      4.480660
  C      -5.882978     -0.726143      4.880554
  C      -6.955511     -4.361409      8.493420
  H     -10.597838      0.842675      5.869264
  H      -9.874571     -0.538444      6.751843
  H     -11.049211      0.548830      7.557859
  H      -7.881977     -0.163395      7.420497
  H      -5.706195     -0.456600      8.018521
  H      -3.573347      0.496010      8.875017
  H      -5.765411      6.759044      8.422884
  H      -7.187599      5.690284      8.376701
  H      -7.844586      4.969774      6.161341
  H      -7.166516      3.809389      4.052483
  H      -3.646252      5.527063      7.063717
  H      -7.533005      3.428272      8.261391
  H      -2.284581     -3.733760      9.542556
  H      -3.620014     -2.559448      9.778675
  H      -3.984875     -4.254022      9.402425
  H      -1.499508     -3.919177      7.514629
  H       0.093314     -3.225956      5.881421
  H       0.554265     -3.029832      3.421880
  H      -3.065591     -2.958789      0.469540
  H      -4.848158     -3.134131      0.426946
  H      -6.331831     -1.229026      0.881699
  H      -6.566244      1.196605      1.401306
  H      -2.053129     -0.783727      1.276739
  H      -4.125514     -3.505315      4.998898
  H      -6.156361     -6.765671     13.375606
  H      -4.543689     -6.112904     13.051909
  H      -5.968442     -5.032417     12.978790
  H      -6.563639     -4.623985     10.945200
  H      -6.112591     -7.644075      8.809633
  H      -6.623408     -7.560641      6.356127
  H      -8.343484     -3.047002      4.605692
  H      -6.609594     -3.305281      4.656119
  H      -9.187912     -0.763820      4.072767
  H      -8.567912      1.585502      3.488225
  H      -5.105423     -1.379308      5.269648
  H      -7.051045     -3.437076      9.066753
  N      -3.723708      4.417423      1.836287
  H      -3.471219      5.330996      2.219889
  H      -4.672393      4.476571      1.459734
  H      -3.090359      4.169045      1.070539
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543813829069
  N      -2.956214      4.186337      4.668367
  Mo     -3.582048      2.693823      3.338852
  N      -4.311744      1.122468      4.532298
  C      -3.337800      0.286312      5.225047
  C      -2.159891      1.152198      5.586773
  N      -1.726322      1.910043      4.379105
  C      -0.880033      3.077042      4.771186
  C      -1.740124      4.135139      5.444293
  C      -0.944131      1.013753      3.474498
  C      -0.971545      1.587773      2.064202
  N      -2.325508      1.994117      1.740527
  H      -1.194435      5.096454      5.452052
  H      -1.941890      3.880363      6.502042
  H      -0.448709      3.484911      3.847941
  H      -0.055932      2.735416      5.421114
  H      -0.573116      0.844966      1.350624
  H      -0.320781      2.472688      1.989943
  H      -1.432042      0.031704      3.484490
  H       0.079093      0.889502      3.869393
  H      -3.750871     -0.140785      6.152882
  H      -3.025297     -0.578838      4.608326
  H      -2.468027      1.878609      6.348716
  H      -1.315175      0.562988      5.983938
  C     -10.286527      0.543800      6.845811
  C      -9.187482      1.478865      7.306790
  O      -9.384856      2.692828      7.425792
  N      -7.998536      0.856003      7.589563
  C      -6.815438      1.424865      8.076149
  C      -5.702167      0.578327      8.237026
  C      -4.498054      1.085583      8.714229
  C      -4.398929      2.433143      9.039429
  F      -3.187718      2.903522      9.440761
  C      -5.482851      3.307028      8.889997
  C      -5.366874      4.771170      9.177963
  O      -4.691517      5.206489     10.100347
  C      -6.092136      5.718167      8.205195
  C      -5.777243      5.316716      6.786601
  C      -6.781205      4.892856      5.897291
  C      -6.414611      4.246006      4.720807
  N      -5.133910      4.039120      4.393665
  C      -4.147751      4.552367      5.193047
  C      -4.440763      5.200465      6.405443
  C      -6.689969      2.781618      8.401749
  C      -3.275649     -3.431542      9.198304
  C      -3.346223     -3.093322      7.723899
  O      -4.309860     -2.499366      7.238243
  N      -2.267475     -3.518026      6.986452
  C      -2.047822     -3.359494      5.598153
  C      -0.719698     -3.214809      5.159371
  C      -0.457687     -3.092708      3.794705
  C      -1.508315     -3.094310      2.890661
  F      -1.165765     -2.998556      1.570287
  C      -2.856751     -3.220936      3.280929
  C      -4.049957     -3.255511      2.393975
  O      -5.139262     -3.645683      2.839796
  C      -3.992671     -2.693765      0.967103
  C      -4.151845     -1.196738      1.073002
  C      -5.440802     -0.615871      1.064551
  C      -5.575609      0.731168      1.346054
  N      -4.524326      1.540452      1.587224
  C      -3.257814      1.009697      1.505868
  C      -3.052046     -0.368334      1.282070
  C      -3.086457     -3.372928      4.670526
  C      -5.573991     -6.030336     12.771351
  C      -5.710760     -6.440685     11.318459
  O      -5.324619     -7.536910     10.914223
  N      -6.294282     -5.490381     10.510683
  C      -6.551844     -5.540039      9.126536
  C      -6.429493     -6.712021      8.356348
  C      -6.711112     -6.663250      6.992131
  C      -7.091178     -5.468008      6.396555
  F      -7.382402     -5.493482      5.071216
  C      -7.206703     -4.275405      7.128911
  C      -7.527452     -2.929530      6.578058
  O      -7.849383     -2.027230      7.362207
  C      -7.408977     -2.681706      5.087643
  C      -7.158889     -1.241483      4.731018
  C      -8.162322     -0.407979      4.217958
  C      -7.803496      0.895991      3.881615
  N      -6.570480      1.398552      3.982972
  C      -5.584234      0.604228      4.477134
  C      -5.877186     -0.727345      4.880089
  C      -6.943421     -4.353249      8.506382
  H     -10.674802      0.904461      5.884036
  H      -9.956706     -0.496464      6.739262
  H     -11.108631      0.593228      7.574171
  H      -7.952084     -0.153188      7.391617
  H      -5.773064     -0.477422      7.968986
  H      -3.623683      0.442228      8.821848
  H      -5.745201      6.732994      8.443651
  H      -7.177682      5.678477      8.385217
  H      -7.834719      4.968393      6.165088
  H      -7.157436      3.814545      4.052353
  H      -3.635972      5.510283      7.074165
  H      -7.554170      3.424632      8.266737
  H      -2.273144     -3.721817      9.538943
  H      -3.624021     -2.565289      9.774900
  H      -3.966182     -4.264365      9.396569
  H      -1.487433     -3.903559      7.510574
  H       0.100866     -3.201861      5.879002
  H       0.562092     -3.000396      3.419936
  H      -3.055956     -2.954597      0.463688
  H      -4.838404     -3.132109      0.421775
  H      -6.323508     -1.227155      0.878182
  H      -6.558481      1.197869      1.400262
  H      -2.044809     -0.780963      1.273066
  H      -4.115833     -3.504579      4.993847
  H      -6.113264     -6.758936     13.392006
  H      -4.513041     -6.083922     13.051370
  H      -5.953476     -5.023853     12.990337
  H      -6.541713     -4.611966     10.957541
  H      -6.118825     -7.639991      8.828225
  H      -6.642526     -7.560998      6.377192
  H      -8.341659     -3.045985      4.621444
  H      -6.608230     -3.306387      4.665326
  H      -9.184565     -0.763014      4.082425
  H      -8.563421      1.584183      3.490530
  H      -5.099558     -1.379932      5.269986
  H      -7.029784     -3.426494      9.077256
  N      -3.714327      4.420778      1.840743
  H      -3.459850      5.332690      2.226915
  H      -4.663011      4.482704      1.464692
  H      -3.081708      4.173047      1.074163
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543739703968
  N      -2.954770      4.187485      4.650337
  Mo     -3.583100      2.690933      3.326812
  N      -4.309430      1.122993      4.526156
  C      -3.333624      0.288483      5.218390
  C      -2.155012      1.155647      5.575180
  N      -1.724481      1.910730      4.364640
  C      -0.877806      3.079200      4.751614
  C      -1.736736      4.139083      5.423526
  C      -0.943731      1.012558      3.460650
  C      -0.975153      1.582714      2.048919
  N      -2.330286      1.987074      1.727686
  H      -1.191466      5.100646      5.426982
  H      -1.935832      3.887457      6.482516
  H      -0.448410      3.484546      3.826367
  H      -0.052267      2.739743      5.400866
  H      -0.578143      0.838086      1.336455
  H      -0.325226      2.467872      1.970451
  H      -1.430693      0.030142      3.474236
  H       0.080484      0.890376      3.853590
  H      -3.744205     -0.136393      6.148332
  H      -3.022363     -0.578084      4.602940
  H      -2.461473      1.883845      6.336075
  H      -1.309246      0.567514      5.971678
  C     -10.262522      0.524650      6.871968
  C      -9.164841      1.467454      7.320212
  O      -9.369862      2.679785      7.443119
  N      -7.969800      0.852206      7.593688
  C      -6.787043      1.428152      8.072644
  C      -5.667973      0.588014      8.226788
  C      -4.463697      1.102293      8.695962
  C      -4.370264      2.450398      9.020647
  F      -3.159215      2.927793      9.414069
  C      -5.460219      3.317969      8.878129
  C      -5.350952      4.782686      9.165269
  O      -4.671007      5.222279     10.082240
  C      -6.081640      5.725294      8.192389
  C      -5.770672      5.320618      6.773908
  C      -6.776899      4.892660      5.889068
  C      -6.413207      4.242892      4.713290
  N      -5.133268      4.037001      4.382595
  C      -4.145242      4.553785      5.177478
  C      -4.435181      5.204787      6.389014
  C      -6.667259      2.785662      8.397200
  C      -3.301236     -3.449899      9.224303
  C      -3.375810     -3.105592      7.751536
  O      -4.356506     -2.541362      7.264382
  N      -2.280628     -3.491163      7.016890
  C      -2.059669     -3.318605      5.630454
  C      -0.734070     -3.134446      5.198670
  C      -0.468995     -2.999152      3.835847
  C      -1.514732     -3.027445      2.926624
  F      -1.169233     -2.913012      1.608534
  C      -2.860791     -3.194509      3.309781
  C      -4.047852     -3.259276      2.416544
  O      -5.132377     -3.664988      2.860147
  C      -3.993623     -2.706312      0.986106
  C      -4.155397     -1.209189      1.083075
  C      -5.445067     -0.630100      1.076028
  C      -5.580395      0.718176      1.351450
  N      -4.529141      1.529970      1.584284
  C      -3.262208      1.000589      1.500062
  C      -3.055800     -0.378490      1.283748
  C      -3.093167     -3.357070      4.697819
  C      -5.601465     -6.082991     12.758772
  C      -5.734135     -6.481907     11.302333
  O      -5.349981     -7.576282     10.891233
  N      -6.311320     -5.523431     10.499645
  C      -6.564857     -5.562074      9.114365
  C      -6.447052     -6.729515      8.336624
  C      -6.724870     -6.670106      6.972006
  C      -7.097299     -5.468882      6.383699
  F      -7.384429     -5.483142      5.057270
  C      -7.207923     -4.280699      7.123698
  C      -7.520064     -2.929701      6.580435
  O      -7.845303     -2.032016      7.368593
  C      -7.409360     -2.678030      5.090081
  C      -7.159007     -1.237436      4.735168
  C      -8.163420     -0.401595      4.227661
  C      -7.803904      0.901925      3.890699
  N      -6.569523      1.402207      3.986383
  C      -5.582514      0.605844      4.475592
  C      -5.875860     -0.725498      4.879293
  C      -6.948094     -4.368899      8.501217
  H     -10.664403      0.882542      5.914806
  H      -9.926501     -0.513246      6.761634
  H     -11.076468      0.568074      7.609862
  H      -7.918668     -0.157019      7.396263
  H      -5.734875     -0.468180      7.959608
  H      -3.584961      0.464006      8.797867
  H      -5.736042      6.741503      8.426911
  H      -7.166459      5.683684      8.376341
  H      -7.829627      4.967306      6.160165
  H      -7.157592      3.807905      4.048741
  H      -3.628710      5.517260      7.054466
  H      -7.535924      3.423762      8.267721
  H      -2.291115     -3.708017      9.568378
  H      -3.681332     -2.598977      9.803700
  H      -3.964095     -4.306625      9.414614
  H      -1.491012     -3.854468      7.542558
  H       0.082401     -3.101585      5.922308
  H       0.549456     -2.875684      3.466488
  H      -3.056468     -2.967036      0.483651
  H      -4.838421     -3.150576      0.444092
  H      -6.327716     -1.243464      0.896435
  H      -6.563699      1.183765      1.407321
  H      -2.048081     -0.790365      1.274683
  H      -4.119965     -3.519517      5.015581
  H      -6.145194     -6.814625     13.371936
  H      -4.541758     -6.141975     13.042442
  H      -5.978834     -5.077083     12.983940
  H      -6.555972     -4.647031     10.951960
  H      -6.142658     -7.662285      8.803064
  H      -6.659245     -7.563896      6.351010
  H      -8.344679     -3.040183      4.627438
  H      -6.611772     -3.303118      4.662250
  H      -9.186776     -0.754699      4.096259
  H      -8.564409      1.591722      3.503650
  H      -5.097621     -1.379754      5.265288
  H      -7.030454     -3.445410      9.077925
  N      -3.720708      4.413703      1.824213
  H      -3.467245      5.327001      2.207758
  H      -4.669997      4.472816      1.449237
  H      -3.088849      4.165188      1.057265
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543815072962
  N      -2.955411      4.186575      4.662619
  Mo     -3.581186      2.693036      3.334097
  N      -4.311574      1.122932      4.528679
  C      -3.338042      0.286696      5.221824
  C      -2.159899      1.152398      5.583317
  N      -1.725756      1.909669      4.375487
  C      -0.879507      3.076849      4.767173
  C      -1.739697      4.135589      5.439143
  C      -0.943213      1.012868      3.471703
  C      -0.970432      1.585852      2.061002
  N      -2.324362      1.991814      1.736835
  H      -1.193810      5.096788      5.446567
  H      -1.942039      3.881524      6.496956
  H      -0.447723      3.483995      3.843824
  H      -0.055725      2.735538      5.417669
  H      -0.571897      0.842507      1.348056
  H      -0.319716      2.470760      1.986137
  H      -1.430904      0.030680      3.482310
  H       0.079964      0.889141      3.866894
  H      -3.751250     -0.139742      6.149927
  H      -3.025952     -0.578939      4.605573
  H      -2.468007      1.879252      6.344847
  H      -1.315481      0.563124      5.981020
  C     -10.286169      0.540033      6.855652
  C      -9.186977      1.477815      7.310736
  O      -9.386218      2.691573      7.428845
  N      -7.996985      0.856872      7.593309
  C      -6.813801      1.427748      8.077252
  C      -5.699617      0.582433      8.237909
  C      -4.495005      1.091607      8.711682
  C      -4.396418      2.439800      9.034328
  F      -3.184833      2.911959      9.432379
  C      -5.481435      3.312442      8.885602
  C      -5.366545      4.777025      9.171790
  O      -4.689282      5.214056     10.091943
  C      -6.091766      5.722372      8.197379
  C      -5.776750      5.318971      6.779368
  C      -6.780629      4.894057      5.890441
  C      -6.413896      4.246177      4.714572
  N      -5.133156      4.039234      4.387623
  C      -4.147066      4.553185      5.186663
  C      -4.440238      5.202323      6.398469
  C      -6.688920      2.785181      8.400256
  C      -3.281002     -3.430931      9.209796
  C      -3.350395     -3.091482      7.735623
  O      -4.315620     -2.501009      7.248843
  N      -2.269630     -3.512711      6.999170
  C      -2.049219     -3.352928      5.611123
  C      -0.721172     -3.204829      5.173295
  C      -0.458446     -3.082896      3.808748
  C      -1.508396     -3.087726      2.903902
  F      -1.164856     -2.992570      1.583760
  C      -2.856887     -3.217001      3.293331
  C      -4.049692     -3.255381      2.405926
  O      -5.138544     -3.645699      2.852629
  C      -3.992936     -2.697701      0.977358
  C      -4.151549     -1.200329      1.078679
  C      -5.440349     -0.619162      1.070120
  C      -5.574473      0.728750      1.347864
  N      -4.522755      1.538420      1.585543
  C      -3.256638      1.007111      1.504022
  C      -3.051328     -0.371556      1.283887
  C      -3.087137     -3.368913      4.682813
  C      -5.567963     -6.051252     12.759951
  C      -5.708125     -6.456588     11.305987
  O      -5.325070     -7.552400     10.897684
  N      -6.290658     -5.502372     10.502129
  C      -6.550793     -5.547171      9.118292
  C      -6.433259     -6.717192      8.344359
  C      -6.717252     -6.663512      6.980791
  C      -7.095200     -5.465449      6.389581
  F      -7.388291     -5.485685      5.064545
  C      -7.206131     -4.274806      7.125743
  C      -7.523880     -2.926555      6.579147
  O      -7.845789     -2.026331      7.365771
  C      -7.412882     -2.676957      5.088440
  C      -7.161804     -1.236758      4.732517
  C      -8.165667     -0.400886      4.224192
  C      -7.805708      0.902833      3.888007
  N      -6.571420      1.403120      3.985487
  C      -5.584868      0.606510      4.475377
  C      -5.878700     -0.725063      4.877586
  C      -6.940211     -4.357416      8.502448
  H     -10.678050      0.897768      5.894260
  H      -9.955147     -0.500023      6.750624
  H     -11.106017      0.590047      7.586522
  H      -7.949998     -0.152856      7.398073
  H      -5.769930     -0.473851      7.972031
  H      -3.619877      0.449201      8.818634
  H      -5.744992      6.737617      8.434310
  H      -7.177308      5.682849      8.377445
  H      -7.834165      4.969700      6.158107
  H      -7.156650      3.813864      4.046563
  H      -3.635522      5.512803      7.066980
  H      -7.553921      3.427176      8.265778
  H      -2.278093     -3.718263      9.551719
  H      -3.633207     -2.566481      9.786754
  H      -3.969082     -4.266255      9.406087
  H      -1.489141     -3.896612      7.523831
  H       0.098835     -3.189755      5.893513
  H       0.561405     -2.988539      3.434684
  H      -3.056642     -2.960340      0.474257
  H      -4.839093     -3.137357      0.433734
  H      -6.323433     -1.230777      0.886630
  H      -6.557133      1.195933      1.401691
  H      -2.044227     -0.784509      1.275408
  H      -4.116391     -3.503171      5.005444
  H      -6.112073     -6.777885     13.378746
  H      -4.507339     -6.113172     13.039413
  H      -5.940381     -5.042832     12.982102
  H      -6.535309     -4.624785     10.952112
  H      -6.124219     -7.647433      8.812802
  H      -6.652152     -7.559568      6.363011
  H      -8.348551     -3.038926      4.626399
  H      -6.615412     -3.302564      4.661253
  H      -9.189012     -0.754003      4.091850
  H      -8.565807      1.592818      3.500431
  H      -5.100813     -1.379519      5.263885
  H      -7.022930     -3.432139      9.076256
  N      -3.712996      4.418816      1.834597
  H      -3.458570      5.331046      2.220065
  H      -4.661625      4.480492      1.458344
  H      -3.080266      4.170535      1.068291
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543802164855
  N      -2.956160      4.185860      4.670324
  Mo     -3.584092      2.693426      3.341359
  N      -4.312705      1.122103      4.535289
  C      -3.337968      0.286496      5.227784
  C      -2.159538      1.152310      5.587845
  N      -1.727027      1.909484      4.379408
  C      -0.879982      3.076331      4.770252
  C      -1.739021      4.134409      5.444616
  C      -0.946148      1.013168      3.473738
  C      -0.975222      1.587604      2.063565
  N      -2.329465      1.994379      1.741417
  H      -1.193225      5.095670      5.451896
  H      -1.939493      3.879416      6.502555
  H      -0.449859      3.484118      3.846402
  H      -0.055055      2.734540      5.419039
  H      -0.577858      0.844929      1.349251
  H      -0.324327      2.472378      1.988800
  H      -1.434088      0.031180      3.484186
  H       0.077557      0.888790      3.867320
  H      -3.750061     -0.140317      6.156169
  H      -3.025958     -0.578837      4.611070
  H      -2.466749      1.879221      6.349692
  H      -1.314586      0.563125      5.984551
  C     -10.278933      0.543623      6.833947
  C      -9.180984      1.477307      7.300394
  O      -9.377906      2.691282      7.420189
  N      -7.992789      0.853411      7.583720
  C      -6.810232      1.420453      8.073531
  C      -5.697797      0.572726      8.233556
  C      -4.493713      1.077968      8.712806
  C      -4.393711      2.424744      9.040963
  F      -3.182302      2.893373      9.443747
  C      -5.476902      3.299770      8.892810
  C      -5.359920      4.763302      9.183593
  O      -4.685836      5.196391     10.107945
  C      -6.086515      5.712549      8.213966
  C      -5.773830      5.314052      6.794111
  C      -6.779199      4.891400      5.905815
  C      -6.414489      4.245659      4.728163
  N      -5.134306      4.038594      4.399135
  C      -4.146915      4.551319      5.197237
  C      -4.437957      5.198474      6.410613
  C      -6.684070      2.776371      8.402429
  C      -3.276622     -3.435065      9.193429
  C      -3.349484     -3.097484      7.718990
  O      -4.316387     -2.508740      7.233484
  N      -2.267799     -3.514825      6.981664
  C      -2.048387     -3.353479      5.593647
  C      -0.720957     -3.199597      5.155881
  C      -0.458898     -3.073901      3.791544
  C      -1.508945     -3.081218      2.886855
  F      -1.166388     -2.980344      1.566865
  C      -2.856719     -3.217420      3.276093
  C      -4.048962     -3.257561      2.388191
  O      -5.137096     -3.651884      2.833221
  C      -3.992979     -2.693702      0.962137
  C      -4.153797     -1.197086      1.070408
  C      -5.443324     -0.617485      1.062347
  C      -5.579492      0.729063      1.345293
  N      -4.528961      1.539148      1.587660
  C      -3.261724      1.009611      1.506641
  C      -3.054850     -0.368028      1.281258
  C      -3.086351     -3.372581      4.665356
  C      -5.582845     -6.016950     12.779394
  C      -5.716411     -6.429717     11.326892
  O      -5.325121     -7.524794     10.924531
  N      -6.303120     -5.483072     10.517084
  C      -6.557183     -5.535570      9.132352
  C      -6.431518     -6.708898      8.364755
  C      -6.709879     -6.663141      6.999765
  C      -7.090097     -5.469568      6.400961
  F      -7.378400     -5.498099      5.075049
  C      -7.209075     -4.275703      7.130740
  C      -7.530831     -2.931473      6.576690
  O      -7.853374     -2.027592      7.358851
  C      -7.407016     -2.685491      5.086415
  C      -7.157431     -1.245455      4.728701
  C      -8.160047     -0.414117      4.210541
  C      -7.801861      0.889896      3.873866
  N      -6.570013      1.394371      3.979419
  C      -5.584483      0.602197      4.478366
  C      -5.876966     -0.729396      4.881742
  C      -6.948915     -4.350539      8.508998
  H     -10.666128      0.908044      5.873164
  H      -9.948400     -0.496056      6.723737
  H     -11.102055      0.589594      7.561401
  H      -7.946526     -0.155529      7.383973
  H      -5.769010     -0.482368      7.963086
  H      -3.620012      0.433589      8.819484
  H      -5.739161      6.726832      8.454122
  H      -7.171801      5.672508      8.395520
  H      -7.832286      4.966531      6.175419
  H      -7.158383      3.814788      4.060522
  H      -3.632109      5.507498      7.078424
  H      -7.547569      3.420446      8.267824
  H      -2.272080     -3.718105      9.534161
  H      -3.631342     -2.571400      9.770031
  H      -3.961101     -4.272918      9.391546
  H      -1.485516     -3.895737      7.505822
  H       0.099030     -3.181999      5.876069
  H       0.560467     -2.974080      3.417580
  H      -3.055986     -2.952537      0.458182
  H      -4.838250     -3.132324      0.416299
  H      -6.325381     -1.229402      0.875004
  H      -6.562867      1.194679      1.399923
  H      -2.047232     -0.779823      1.271858
  H      -4.115078     -3.511191      4.987878
  H      -6.116762     -6.748913     13.400686
  H      -4.521525     -6.062586     13.059507
  H      -5.969507     -5.013024     12.997517
  H      -6.554820     -4.605032     10.962255
  H      -6.120761     -7.635574      8.839088
  H      -6.638772     -7.562042      6.386798
  H      -8.337526     -3.051554      4.617307
  H      -6.603911     -3.309693      4.667879
  H      -9.181237     -0.770703      4.071614
  H      -8.561264      1.576481      3.478991
  H      -5.099824     -1.380521      5.274955
  H      -7.037889     -3.422811      9.077870
  N      -3.719850      4.420542      1.843602
  H      -3.465525      5.332621      2.229491
  H      -4.669147      4.481770      1.469012
  H      -3.088120      4.173478      1.076080
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543819378671
  N      -2.955355      4.185631      4.665352
  Mo     -3.581699      2.692503      3.336526
  N      -4.312320      1.122339      4.530849
  C      -3.338842      0.286150      5.224201
  C      -2.160503      1.151622      5.585513
  N      -1.726263      1.908606      4.377549
  C      -0.879621      3.075534      4.769119
  C      -1.739419      4.134307      5.441519
  C      -0.944184      1.011649      3.473530
  C      -0.971389      1.584958      2.062914
  N      -2.325173      1.991635      1.738926
  H      -1.193375      5.095420      5.448978
  H      -1.941500      3.880070      6.499338
  H      -0.447989      3.482700      3.845705
  H      -0.055746      2.733940      5.419349
  H      -0.573279      0.841620      1.349719
  H      -0.320293      2.469593      1.988203
  H      -1.432210      0.029644      3.484059
  H       0.078999      0.887527      3.868565
  H      -3.752076     -0.140189      6.152317
  H      -3.026788     -0.579557      4.608030
  H      -2.468384      1.878674      6.346945
  H      -1.316215      0.562190      5.983253
  C     -10.284110      0.540729      6.848927
  C      -9.185391      1.477428      7.307447
  O      -9.384153      2.691199      7.426296
  N      -7.995803      0.855787      7.589927
  C      -6.812919      1.425602      8.075714
  C      -5.699199      0.579635      8.236128
  C      -4.494784      1.087695      8.711542
  C      -4.395859      2.435457      9.035914
  F      -3.184354      2.906654      9.435367
  C      -5.480423      3.308724      8.887469
  C      -5.365109      4.772951      9.175240
  O      -4.688619      5.208813     10.096516
  C      -6.090364      5.719491      8.201999
  C      -5.775870      5.317341      6.783543
  C      -6.780077      4.893234      5.894606
  C      -6.413811      4.245915      4.718283
  N      -5.133204      4.038747      4.390949
  C      -4.146806      4.552124      5.189955
  C      -4.439489      5.200700      6.402176
  C      -6.687780      2.782561      8.400579
  C      -3.279626     -3.432007      9.204560
  C      -3.350049     -3.092883      7.730362
  O      -4.315784     -2.502867      7.244025
  N      -2.268999     -3.512769      6.993572
  C      -2.049062     -3.352257      5.605531
  C      -0.721346     -3.201332      5.167632
  C      -0.459061     -3.077715      3.803146
  C      -1.509131     -3.083967      2.898454
  F      -1.166139     -2.986049      1.578364
  C      -2.857253     -3.216654      3.287913
  C      -4.049894     -3.256319      2.400426
  O      -5.138310     -3.648405      2.846678
  C      -3.993679     -2.696756      0.972630
  C      -4.152507     -1.199588      1.076199
  C      -5.441339     -0.618463      1.067841
  C      -5.575628      0.729048      1.347332
  N      -4.524012      1.538480      1.586548
  C      -3.257737      1.007262      1.505231
  C      -3.052413     -0.371146      1.283371
  C      -3.087061     -3.369881      4.677330
  C      -5.570628     -6.040410     12.765271
  C      -5.708559     -6.447745     11.311654
  O      -5.322693     -7.543162     10.904958
  N      -6.292909     -5.495957     10.506227
  C      -6.551847     -5.543199      9.122236
  C      -6.432128     -6.714259      8.350231
  C      -6.715096     -6.663090      6.986362
  C      -7.094140     -5.466458      6.392955
  F      -7.386426     -5.489349      5.067795
  C      -7.207250     -4.274787      7.127173
  C      -7.526590     -2.927759      6.578471
  O      -7.847866     -2.026360      7.364017
  C      -7.412217     -2.679168      5.087880
  C      -7.161405     -1.239062      4.731354
  C      -8.164707     -0.404392      4.219918
  C      -7.804972      0.899305      3.883478
  N      -6.571303      1.400623      3.983432
  C      -5.585277      0.605185      4.476205
  C      -5.879021     -0.726286      4.878893
  C      -6.942380     -4.354945      8.504234
  H     -10.674672      0.900450      5.887739
  H      -9.953090     -0.499167      6.742282
  H     -11.104922      0.589363      7.578809
  H      -7.948882     -0.153744      7.393437
  H      -5.769684     -0.476294      7.968880
  H      -3.620066      0.444711      8.818330
  H      -5.743208      6.734396      8.439830
  H      -7.175865      5.680091      8.382353
  H      -7.833525      4.968924      6.162619
  H      -7.156848      3.814150      4.050235
  H      -3.634524      5.510593      7.070655
  H      -7.552401      3.425116      8.266141
  H      -2.276023     -3.717230      9.546237
  H      -3.633415     -2.568172      9.781466
  H      -3.965910     -4.268739      9.401156
  H      -1.487827     -3.895606      7.517991
  H       0.098701     -3.184895      5.887775
  H       0.560515     -2.980656      3.429026
  H      -3.057340     -2.958418      0.469032
  H      -4.839795     -3.135896      0.428527
  H      -6.324312     -1.229844      0.883049
  H      -6.558346      1.196102      1.401345
  H      -2.045299     -0.784127      1.274686
  H      -4.116024     -3.506237      5.000026
  H      -6.114199     -6.767183     13.384383
  H      -4.510207     -6.100248     13.045926
  H      -5.944982     -5.032352     12.985799
  H      -6.539779     -4.618297     10.954853
  H      -6.122242     -7.643371      8.820357
  H      -6.648377     -7.560037      6.370051
  H      -8.346488     -3.042277      4.623931
  H      -6.613238     -3.304456      4.663062
  H      -9.187471     -0.758359      4.085548
  H      -8.564683      1.588370      3.493531
  H      -5.101514     -1.379852      5.267413
  H      -7.026756     -3.428876      9.076510
  N      -3.713721      4.418697      1.837477
  H      -3.459023      5.330769      2.223136
  H      -4.662418      4.480645      1.461456
  H      -3.081205      4.170488      1.070969
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5655469-CzFt/orca E -7415.543818742235
  N      -2.955536      4.186612      4.664489
  Mo     -3.582006      2.693327      3.335815
  N      -4.311914      1.123030      4.530283
  C      -3.338012      0.287080      5.223346
  C      -2.159780      1.152798      5.584361
  N      -1.726026      1.909865      4.376293
  C      -0.879512      3.076969      4.767600
  C      -1.739332      4.135542      5.440276
  C      -0.944075      1.013110      3.471995
  C      -0.971810      1.586528      2.061439
  N      -2.325773      1.992966      1.737841
  H      -1.193514      5.096782      5.447597
  H      -1.941042      3.881216      6.498140
  H      -0.448238      3.484235      3.844064
  H      -0.055372      2.735537      5.417581
  H      -0.573781      0.843324      1.348065
  H      -0.320911      2.471296      1.986619
  H      -1.431899      0.031019      3.482607
  H       0.079257      0.889173      3.866700
  H      -3.750864     -0.139432      6.151540
  H      -3.025906     -0.578511      4.607026
  H      -2.467589      1.879789      6.345878
  H      -1.315284      0.563508      5.981873
  C     -10.283590      0.540365      6.848862
  C      -9.184645      1.476827      7.307345
  O      -9.383203      2.690607      7.426443
  N      -7.995120      0.854954      7.589547
  C      -6.812116      1.424489      8.075388
  C      -5.698553      0.578283      8.235617
  C      -4.494025      1.086014      8.711093
  C      -4.394809      2.433700      9.035691
  F      -3.183194      2.904600      9.435162
  C      -5.479205      3.307206      8.887432
  C      -5.363591      4.771360      9.175496
  O      -4.687495      5.206877     10.097223
  C      -6.089437      5.718253      8.203015
  C      -5.775466      5.316874      6.784235
  C      -6.779951      4.892753      5.895621
  C      -6.414014      4.245816      4.718988
  N      -5.133500      4.039031      4.391076
  C      -4.146893      4.552595      5.189692
  C      -4.439222      5.200821      6.402188
  C      -6.686701      2.781363      8.400512
  C      -3.279933     -3.434173      9.205294
  C      -3.350375     -3.094037      7.731345
  O      -4.315936     -2.503385      7.245427
  N      -2.269553     -3.513916      6.994208
  C      -2.049628     -3.352638      5.606240
  C      -0.721867     -3.202021      5.168385
  C      -0.459529     -3.078062      3.803943
  C      -1.509600     -3.083611      2.899255
  F      -1.166572     -2.985508      1.579188
  C      -2.857774     -3.215848      3.288674
  C      -4.050343     -3.255080      2.401068
  O      -5.138883     -3.647047      2.847126
  C      -3.993680     -2.696022      0.973073
  C      -4.152582     -1.198815      1.075979
  C      -5.441472     -0.617829      1.066817
  C      -5.576030      0.729759      1.345712
  N      -4.524587      1.539375      1.585117
  C      -3.258180      1.008314      1.504402
  C      -3.052628     -0.370150      1.283092
  C      -3.087656     -3.369466      4.678042
  C      -5.574710     -6.040225     12.767182
  C      -5.710809     -6.447333     11.313330
  O      -5.322795     -7.541938     10.906499
  N      -6.295831     -5.496099     10.507723
  C      -6.553021     -5.543156      9.123394
  C      -6.432275     -6.714144      8.351451
  C      -6.713661     -6.662932      6.987252
  C      -7.092158     -5.466300      6.393494
  F      -7.382970     -5.489100      5.068008
  C      -7.206159     -4.274675      7.127644
  C      -7.524923     -2.927651      6.578597
  O      -7.847910     -2.026455      7.363707
  C      -7.410427     -2.679498      5.087929
  C      -7.160150     -1.239382      4.731052
  C      -8.163722     -0.405159      4.219410
  C      -7.804430      0.898605      3.882789
  N      -6.570962      1.400412      3.982774
  C      -5.584683      0.605414      4.475732
  C      -5.877951     -0.726132      4.878568
  C      -6.942889     -4.354879      8.505017
  H     -10.674841      0.900782      5.888219
  H      -9.952544     -0.499421      6.741247
  H     -11.103917      0.588355      7.579340
  H      -7.948363     -0.154559      7.392916
  H      -5.769185     -0.477598      7.968218
  H      -3.619465      0.442792      8.817707
  H      -5.742366      6.733104      8.441200
  H      -7.174853      5.678572      8.383829
  H      -7.833298      4.968011      6.164155
  H      -7.157232      3.813902      4.051233
  H      -3.634053      5.510761      7.070398
  H      -7.551195      3.424129      8.266245
  H      -2.276144     -3.718901      9.546849
  H      -3.634451     -2.571042      9.782790
  H      -3.965559     -4.271607      9.401154
  H      -1.488497     -3.897427      7.518309
  H       0.098199     -3.186245      5.888520
  H       0.560088     -2.981333      3.429852
  H      -3.057214     -2.957905      0.469816
  H      -4.839668     -3.135345      0.428927
  H      -6.324301     -1.229389      0.881937
  H      -6.558815      1.196726      1.399136
  H      -2.045466     -0.783017      1.274815
  H      -4.116678     -3.505642      5.000677
  H      -6.115299     -6.769569     13.385851
  H      -4.514071     -6.095672     13.047963
  H      -5.953302     -5.033832     12.988100
  H      -6.544211     -4.618883     10.956388
  H      -6.122819     -7.643262      8.821848
  H      -6.646155     -7.559843      6.370972
  H      -8.344441     -3.043148      4.623883
  H      -6.611081     -3.304578      4.663480
  H      -9.186368     -0.759478      4.085110
  H      -8.564351      1.587340      3.492675
  H      -5.100228     -1.379372      5.267214
  H      -7.027983     -3.428855      9.077256
  N      -3.715523      4.419550      1.836887
  H      -3.460742      5.331680      2.222356
  H      -4.664498      4.481311      1.461543
  H      -3.083474      4.171492      1.069943
